USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 791 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 88 SER OG : rot -16:sc= 0.786 USER MOD Set 1.2: A 89 GLN : amide:sc= -0.0701 K(o=0.72,f=-0.0033) USER MOD Set 2.1: A 84 HIS : no HD1:sc= -0.0173 K(o=0.49,f=-4.7) USER MOD Set 2.2: A 86 THR OG1 : rot -91:sc= 0.51 USER MOD Set 3.1: A 11 SER OG : rot -102:sc= 1.43 USER MOD Set 3.2: A 21 ASN :FLIP amide:sc= -1.49! F(o=-1,f=-0.061!) USER MOD Set 4.1: A 2 GLN :FLIP amide:sc= -0.134 F(o=-0.79,f=-0.13) USER MOD Set 4.2: A 31 HIS : no HD1:sc= 0 X(o=-0.13,f=-0.13) USER MOD Single : A 1 ILE N :NH3+ 168:sc= -0.0594 (180deg=-0.232) USER MOD Single : A 4 THR OG1 : rot 26:sc= 0.353 USER MOD Single : A 6 LYS NZ :NH3+ 145:sc= -0.0831 (180deg=-0.59) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 10 TYR OH : rot -116:sc= 0.00273 USER MOD Single : A 13 HIS : no HD1:sc= -0.291 X(o=-0.29,f=-0.1) USER MOD Single : A 17 ASN : amide:sc= -3.12! C(o=-3.1!,f=-6.1!) USER MOD Single : A 19 LYS NZ :NH3+ -167:sc= -0.0577 (180deg=-0.311) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -1.39 K(o=-1.4,f=-4!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 57:sc= 1.27 USER MOD Single : A 33 SER OG : rot -62:sc= 1.12 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.152 F(o=-2.5!,f=-0.15) USER MOD Single : A 48 LYS NZ :NH3+ -142:sc= 0.269 (180deg=0.00217) USER MOD Single : A 51 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.0084) USER MOD Single : A 52 SER OG : rot -122:sc= 0.382 USER MOD Single : A 55 SER OG : rot -155:sc= -0.0855 USER MOD Single : A 57 SER OG : rot 100:sc= -1.28! USER MOD Single : A 58 LYS NZ :NH3+ -158:sc= -0.186 (180deg=-0.673) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 57:sc= 1.29 USER MOD Single : A 67 TYR OH : rot 30:sc= -0.529 USER MOD Single : A 68 THR OG1 : rot 170:sc= -0.182 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 176:sc= 0.0288 USER MOD Single : A 75 LYS NZ :NH3+ -147:sc= 1.24 (180deg=0.403) USER MOD Single : A 78 TYR OH : rot 130:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.416 K(o=-0.42,f=-2.4!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.427) USER MOD Single : A 99 MET CE :methyl 171:sc=-0.00332 (180deg=-0.164) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -22.746 -6.917 -5.803 1.00 0.00 N ATOM 2 CA ILE A 1 -22.081 -7.463 -4.599 1.00 0.00 C ATOM 3 C ILE A 1 -21.149 -6.438 -3.960 1.00 0.00 C ATOM 4 O ILE A 1 -21.335 -6.052 -2.806 1.00 0.00 O ATOM 5 CB ILE A 1 -21.274 -8.748 -4.918 1.00 0.00 C ATOM 6 CG1 ILE A 1 -20.461 -8.599 -6.221 1.00 0.00 C ATOM 7 CG2 ILE A 1 -22.205 -9.948 -4.992 1.00 0.00 C ATOM 8 CD1 ILE A 1 -19.581 -9.791 -6.529 1.00 0.00 C ATOM 0 H1 ILE A 1 -23.208 -7.689 -6.325 1.00 0.00 H new ATOM 0 H2 ILE A 1 -23.460 -6.216 -5.518 1.00 0.00 H new ATOM 0 H3 ILE A 1 -22.038 -6.461 -6.414 1.00 0.00 H new ATOM 0 HA ILE A 1 -22.878 -7.711 -3.898 1.00 0.00 H new ATOM 0 HB ILE A 1 -20.561 -8.908 -4.109 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -21.149 -8.442 -7.052 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -19.838 -7.707 -6.150 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -21.626 -10.844 -5.217 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -22.713 -10.074 -4.036 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -22.944 -9.787 -5.777 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -19.041 -9.614 -7.459 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -18.868 -9.937 -5.717 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -20.199 -10.683 -6.633 1.00 0.00 H new ATOM 19 N GLN A 2 -20.169 -5.978 -4.732 1.00 0.00 N ATOM 20 CA GLN A 2 -19.089 -5.155 -4.212 1.00 0.00 C ATOM 21 C GLN A 2 -18.138 -4.824 -5.363 1.00 0.00 C ATOM 22 O GLN A 2 -18.346 -5.282 -6.486 1.00 0.00 O ATOM 23 CB GLN A 2 -18.347 -5.923 -3.099 1.00 0.00 C ATOM 24 CG GLN A 2 -17.552 -5.044 -2.141 1.00 0.00 C ATOM 25 CD GLN A 2 -18.443 -4.186 -1.268 1.00 0.00 C ATOM 26 OE1 GLN A 2 -18.768 -2.994 -1.737 1.00 0.00 O flip ATOM 27 NE2 GLN A 2 -18.844 -4.597 -0.183 1.00 0.00 N flip ATOM 0 H GLN A 2 -20.104 -6.166 -5.732 1.00 0.00 H new ATOM 0 HA GLN A 2 -19.482 -4.231 -3.788 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -19.075 -6.497 -2.525 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -17.668 -6.640 -3.561 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -16.927 -5.674 -1.508 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -16.882 -4.402 -2.713 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -18.571 -5.524 0.144 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -19.451 -4.012 0.391 1.00 0.00 H new ATOM 36 N ARG A 3 -17.113 -4.033 -5.094 1.00 0.00 N ATOM 37 CA ARG A 3 -16.137 -3.676 -6.114 1.00 0.00 C ATOM 38 C ARG A 3 -14.744 -4.096 -5.670 1.00 0.00 C ATOM 39 O ARG A 3 -14.409 -3.990 -4.489 1.00 0.00 O ATOM 40 CB ARG A 3 -16.165 -2.175 -6.386 1.00 0.00 C ATOM 41 CG ARG A 3 -15.030 -1.724 -7.314 1.00 0.00 C ATOM 42 CD ARG A 3 -15.517 -0.850 -8.493 1.00 0.00 C ATOM 43 NE ARG A 3 -16.563 -1.529 -9.252 1.00 0.00 N ATOM 44 CZ ARG A 3 -17.486 -0.904 -9.972 1.00 0.00 C ATOM 45 NH1 ARG A 3 -17.429 0.410 -10.144 1.00 0.00 N ATOM 46 NH2 ARG A 3 -18.452 -1.604 -10.548 1.00 0.00 N ATOM 0 H ARG A 3 -16.934 -3.624 -4.177 1.00 0.00 H new ATOM 0 HA ARG A 3 -16.394 -4.199 -7.035 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.123 -1.908 -6.833 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.093 -1.637 -5.441 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.296 -1.164 -6.734 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.521 -2.603 -7.708 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -15.896 0.099 -8.114 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -14.678 -0.619 -9.150 1.00 0.00 H new ATOM 0 HE ARG A 3 -16.586 -2.548 -9.227 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -16.672 0.947 -9.721 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -18.142 0.883 -10.699 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -18.483 -2.617 -10.437 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -19.164 -1.130 -11.103 1.00 0.00 H new ATOM 60 N THR A 4 -13.945 -4.575 -6.616 1.00 0.00 N ATOM 61 CA THR A 4 -12.608 -5.037 -6.316 1.00 0.00 C ATOM 62 C THR A 4 -11.642 -3.869 -6.093 1.00 0.00 C ATOM 63 O THR A 4 -11.454 -3.030 -6.978 1.00 0.00 O ATOM 64 CB THR A 4 -12.070 -5.964 -7.440 1.00 0.00 C ATOM 65 OG1 THR A 4 -11.969 -5.249 -8.682 1.00 0.00 O ATOM 66 CG2 THR A 4 -12.977 -7.166 -7.649 1.00 0.00 C ATOM 0 H THR A 4 -14.207 -4.651 -7.599 1.00 0.00 H new ATOM 0 HA THR A 4 -12.670 -5.609 -5.390 1.00 0.00 H new ATOM 0 HB THR A 4 -11.084 -6.307 -7.126 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.851 -4.293 -8.501 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.572 -7.794 -8.442 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.037 -7.742 -6.725 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.974 -6.825 -7.929 1.00 0.00 H new ATOM 74 N PRO A 5 -11.042 -3.779 -4.890 1.00 0.00 N ATOM 75 CA PRO A 5 -10.005 -2.801 -4.606 1.00 0.00 C ATOM 76 C PRO A 5 -8.697 -3.222 -5.264 1.00 0.00 C ATOM 77 O PRO A 5 -8.238 -4.354 -5.085 1.00 0.00 O ATOM 78 CB PRO A 5 -9.866 -2.811 -3.072 1.00 0.00 C ATOM 79 CG PRO A 5 -10.876 -3.793 -2.560 1.00 0.00 C ATOM 80 CD PRO A 5 -11.308 -4.633 -3.731 1.00 0.00 C ATOM 0 HA PRO A 5 -10.249 -1.810 -4.988 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.858 -3.101 -2.776 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.046 -1.818 -2.660 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.445 -4.416 -1.777 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.729 -3.275 -2.122 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.746 -5.565 -3.784 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.363 -4.900 -3.664 1.00 0.00 H new ATOM 88 N LYS A 6 -8.103 -2.329 -6.031 1.00 0.00 N ATOM 89 CA LYS A 6 -6.919 -2.670 -6.799 1.00 0.00 C ATOM 90 C LYS A 6 -5.670 -2.148 -6.104 1.00 0.00 C ATOM 91 O LYS A 6 -5.731 -1.192 -5.331 1.00 0.00 O ATOM 92 CB LYS A 6 -7.032 -2.112 -8.223 1.00 0.00 C ATOM 93 CG LYS A 6 -5.911 -2.551 -9.148 1.00 0.00 C ATOM 94 CD LYS A 6 -6.205 -2.188 -10.594 1.00 0.00 C ATOM 95 CE LYS A 6 -5.117 -2.691 -11.526 1.00 0.00 C ATOM 96 NZ LYS A 6 -4.839 -4.138 -11.322 1.00 0.00 N ATOM 0 H LYS A 6 -8.418 -1.365 -6.140 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.840 -3.755 -6.865 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.985 -2.424 -8.650 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.045 -1.023 -8.176 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.977 -2.082 -8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.770 -3.629 -9.064 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.164 -2.614 -10.889 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.294 -1.106 -10.688 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.417 -2.521 -12.560 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.204 -2.119 -11.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.604 -4.578 -12.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.039 -4.249 -10.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.680 -4.600 -10.922 1.00 0.00 H new ATOM 110 N ILE A 7 -4.544 -2.786 -6.380 1.00 0.00 N ATOM 111 CA ILE A 7 -3.313 -2.489 -5.672 1.00 0.00 C ATOM 112 C ILE A 7 -2.479 -1.465 -6.425 1.00 0.00 C ATOM 113 O ILE A 7 -2.065 -1.700 -7.563 1.00 0.00 O ATOM 114 CB ILE A 7 -2.453 -3.754 -5.468 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.335 -4.965 -5.149 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.438 -3.526 -4.354 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.233 -4.766 -3.954 1.00 0.00 C ATOM 0 H ILE A 7 -4.459 -3.513 -7.090 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.606 -2.089 -4.701 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.917 -3.959 -6.394 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.950 -5.194 -6.019 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.697 -5.831 -4.972 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.837 -4.425 -4.219 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.788 -2.692 -4.619 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.962 -3.297 -3.426 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.826 -5.666 -3.791 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.625 -4.567 -3.071 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.897 -3.921 -4.135 1.00 0.00 H new ATOM 129 N GLN A 8 -2.253 -0.331 -5.789 1.00 0.00 N ATOM 130 CA GLN A 8 -1.325 0.660 -6.294 1.00 0.00 C ATOM 131 C GLN A 8 -0.243 0.907 -5.250 1.00 0.00 C ATOM 132 O GLN A 8 -0.539 1.336 -4.136 1.00 0.00 O ATOM 133 CB GLN A 8 -2.054 1.966 -6.606 1.00 0.00 C ATOM 134 CG GLN A 8 -3.004 1.887 -7.789 1.00 0.00 C ATOM 135 CD GLN A 8 -3.762 3.186 -8.009 1.00 0.00 C ATOM 136 OE1 GLN A 8 -4.035 3.930 -7.067 1.00 0.00 O ATOM 137 NE2 GLN A 8 -4.098 3.473 -9.257 1.00 0.00 N ATOM 0 H GLN A 8 -2.706 -0.073 -4.912 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.873 0.291 -7.214 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.616 2.274 -5.724 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.315 2.743 -6.800 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.440 1.641 -8.689 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.715 1.077 -7.627 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -3.854 2.831 -10.011 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.601 4.336 -9.464 1.00 0.00 H new ATOM 146 N VAL A 9 1.000 0.619 -5.599 1.00 0.00 N ATOM 147 CA VAL A 9 2.113 0.818 -4.682 1.00 0.00 C ATOM 148 C VAL A 9 3.312 1.405 -5.417 1.00 0.00 C ATOM 149 O VAL A 9 3.731 0.892 -6.457 1.00 0.00 O ATOM 150 CB VAL A 9 2.504 -0.495 -3.938 1.00 0.00 C ATOM 151 CG1 VAL A 9 2.511 -1.692 -4.873 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.861 -0.357 -3.251 1.00 0.00 C ATOM 0 H VAL A 9 1.265 0.246 -6.511 1.00 0.00 H new ATOM 0 HA VAL A 9 1.786 1.528 -3.922 1.00 0.00 H new ATOM 0 HB VAL A 9 1.743 -0.666 -3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.788 -2.587 -4.316 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.518 -1.825 -5.302 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.232 -1.525 -5.673 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.107 -1.288 -2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.626 -0.139 -3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.820 0.455 -2.525 1.00 0.00 H new ATOM 162 N TYR A 10 3.838 2.494 -4.875 1.00 0.00 N ATOM 163 CA TYR A 10 4.954 3.211 -5.475 1.00 0.00 C ATOM 164 C TYR A 10 5.612 4.089 -4.418 1.00 0.00 C ATOM 165 O TYR A 10 5.095 4.223 -3.313 1.00 0.00 O ATOM 166 CB TYR A 10 4.475 4.052 -6.674 1.00 0.00 C ATOM 167 CG TYR A 10 3.358 5.027 -6.359 1.00 0.00 C ATOM 168 CD1 TYR A 10 3.634 6.311 -5.905 1.00 0.00 C ATOM 169 CD2 TYR A 10 2.026 4.666 -6.529 1.00 0.00 C ATOM 170 CE1 TYR A 10 2.618 7.204 -5.627 1.00 0.00 C ATOM 171 CE2 TYR A 10 1.005 5.553 -6.253 1.00 0.00 C ATOM 172 CZ TYR A 10 1.304 6.819 -5.803 1.00 0.00 C ATOM 173 OH TYR A 10 0.286 7.703 -5.524 1.00 0.00 O ATOM 0 H TYR A 10 3.502 2.906 -4.005 1.00 0.00 H new ATOM 0 HA TYR A 10 5.687 2.496 -5.847 1.00 0.00 H new ATOM 0 HB2 TYR A 10 5.323 4.609 -7.072 1.00 0.00 H new ATOM 0 HB3 TYR A 10 4.139 3.378 -7.462 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.661 6.616 -5.767 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.786 3.674 -6.883 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.850 8.198 -5.274 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.024 5.255 -6.390 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.251 7.359 -4.780 1.00 0.00 H new ATOM 183 N SER A 11 6.756 4.669 -4.743 1.00 0.00 N ATOM 184 CA SER A 11 7.454 5.530 -3.804 1.00 0.00 C ATOM 185 C SER A 11 6.943 6.959 -3.936 1.00 0.00 C ATOM 186 O SER A 11 6.757 7.464 -5.045 1.00 0.00 O ATOM 187 CB SER A 11 8.958 5.478 -4.054 1.00 0.00 C ATOM 188 OG SER A 11 9.662 6.190 -3.055 1.00 0.00 O ATOM 0 H SER A 11 7.219 4.560 -5.645 1.00 0.00 H new ATOM 0 HA SER A 11 7.262 5.178 -2.790 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.292 4.441 -4.070 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.182 5.900 -5.033 1.00 0.00 H new ATOM 0 HG SER A 11 9.929 7.066 -3.404 1.00 0.00 H new ATOM 194 N ARG A 12 6.704 7.595 -2.790 1.00 0.00 N ATOM 195 CA ARG A 12 6.146 8.951 -2.760 1.00 0.00 C ATOM 196 C ARG A 12 7.158 9.949 -3.328 1.00 0.00 C ATOM 197 O ARG A 12 6.832 10.753 -4.200 1.00 0.00 O ATOM 198 CB ARG A 12 5.751 9.307 -1.300 1.00 0.00 C ATOM 199 CG ARG A 12 4.796 10.505 -1.091 1.00 0.00 C ATOM 200 CD ARG A 12 5.424 11.862 -1.381 1.00 0.00 C ATOM 201 NE ARG A 12 5.210 12.298 -2.762 1.00 0.00 N ATOM 202 CZ ARG A 12 4.704 13.483 -3.102 1.00 0.00 C ATOM 203 NH1 ARG A 12 4.276 14.325 -2.171 1.00 0.00 N ATOM 204 NH2 ARG A 12 4.614 13.823 -4.381 1.00 0.00 N ATOM 0 H ARG A 12 6.887 7.196 -1.870 1.00 0.00 H new ATOM 0 HA ARG A 12 5.252 9.000 -3.382 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.290 8.427 -0.852 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.666 9.505 -0.743 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.924 10.376 -1.732 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.439 10.495 -0.061 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.006 12.604 -0.701 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.494 11.813 -1.181 1.00 0.00 H new ATOM 0 HE ARG A 12 5.464 11.654 -3.511 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.333 14.068 -1.186 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.890 15.230 -2.440 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.932 13.177 -5.104 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.227 14.730 -4.642 1.00 0.00 H new ATOM 218 N HIS A 13 8.381 9.882 -2.836 1.00 0.00 N ATOM 219 CA HIS A 13 9.446 10.767 -3.290 1.00 0.00 C ATOM 220 C HIS A 13 10.566 9.944 -3.949 1.00 0.00 C ATOM 221 O HIS A 13 10.462 8.721 -3.980 1.00 0.00 O ATOM 222 CB HIS A 13 9.974 11.594 -2.111 1.00 0.00 C ATOM 223 CG HIS A 13 9.191 12.850 -1.849 1.00 0.00 C ATOM 224 ND1 HIS A 13 9.325 13.539 -0.668 1.00 0.00 N ATOM 225 CD2 HIS A 13 8.305 13.507 -2.644 1.00 0.00 C ATOM 226 CE1 HIS A 13 8.530 14.593 -0.771 1.00 0.00 C ATOM 227 NE2 HIS A 13 7.895 14.617 -1.950 1.00 0.00 N ATOM 0 H HIS A 13 8.666 9.219 -2.115 1.00 0.00 H new ATOM 0 HA HIS A 13 9.055 11.458 -4.037 1.00 0.00 H new ATOM 0 HB2 HIS A 13 9.963 10.977 -1.213 1.00 0.00 H new ATOM 0 HB3 HIS A 13 11.014 11.859 -2.303 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.985 13.212 -3.632 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.409 15.340 -0.000 1.00 0.00 H new ATOM 0 HE2 HIS A 13 7.234 15.325 -2.270 1.00 0.00 H new ATOM 235 N PRO A 14 11.647 10.571 -4.492 1.00 0.00 N ATOM 236 CA PRO A 14 12.725 9.831 -5.173 1.00 0.00 C ATOM 237 C PRO A 14 13.250 8.649 -4.356 1.00 0.00 C ATOM 238 O PRO A 14 13.729 8.812 -3.232 1.00 0.00 O ATOM 239 CB PRO A 14 13.841 10.872 -5.372 1.00 0.00 C ATOM 240 CG PRO A 14 13.415 12.095 -4.601 1.00 0.00 C ATOM 241 CD PRO A 14 11.910 12.023 -4.509 1.00 0.00 C ATOM 0 HA PRO A 14 12.363 9.395 -6.104 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.796 10.494 -5.007 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.973 11.104 -6.429 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.867 12.108 -3.609 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.732 13.006 -5.108 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.537 12.511 -3.609 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.430 12.510 -5.358 1.00 0.00 H new ATOM 249 N ALA A 15 13.151 7.461 -4.937 1.00 0.00 N ATOM 250 CA ALA A 15 13.595 6.246 -4.280 1.00 0.00 C ATOM 251 C ALA A 15 15.101 6.083 -4.420 1.00 0.00 C ATOM 252 O ALA A 15 15.613 5.884 -5.525 1.00 0.00 O ATOM 253 CB ALA A 15 12.885 5.039 -4.865 1.00 0.00 C ATOM 0 H ALA A 15 12.764 7.316 -5.869 1.00 0.00 H new ATOM 0 HA ALA A 15 13.349 6.320 -3.221 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.229 4.135 -4.362 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.809 5.146 -4.724 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.106 4.968 -5.930 1.00 0.00 H new ATOM 259 N GLU A 16 15.811 6.169 -3.312 1.00 0.00 N ATOM 260 CA GLU A 16 17.255 6.070 -3.344 1.00 0.00 C ATOM 261 C GLU A 16 17.752 4.945 -2.441 1.00 0.00 C ATOM 262 O GLU A 16 17.341 4.830 -1.288 1.00 0.00 O ATOM 263 CB GLU A 16 17.878 7.396 -2.923 1.00 0.00 C ATOM 264 CG GLU A 16 19.385 7.434 -3.112 1.00 0.00 C ATOM 265 CD GLU A 16 19.786 7.153 -4.543 1.00 0.00 C ATOM 266 OE1 GLU A 16 19.923 5.966 -4.905 1.00 0.00 O ATOM 267 OE2 GLU A 16 19.957 8.116 -5.315 1.00 0.00 O ATOM 0 H GLU A 16 15.413 6.307 -2.383 1.00 0.00 H new ATOM 0 HA GLU A 16 17.557 5.839 -4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.425 8.203 -3.500 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.645 7.584 -1.875 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.763 8.413 -2.816 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.851 6.700 -2.455 1.00 0.00 H new ATOM 274 N ASN A 17 18.640 4.126 -2.985 1.00 0.00 N ATOM 275 CA ASN A 17 19.230 3.016 -2.242 1.00 0.00 C ATOM 276 C ASN A 17 20.296 3.533 -1.288 1.00 0.00 C ATOM 277 O ASN A 17 21.235 4.222 -1.690 1.00 0.00 O ATOM 278 CB ASN A 17 19.796 1.960 -3.208 1.00 0.00 C ATOM 279 CG ASN A 17 20.907 1.096 -2.618 1.00 0.00 C ATOM 280 OD1 ASN A 17 20.901 0.755 -1.435 1.00 0.00 O ATOM 281 ND2 ASN A 17 21.872 0.724 -3.450 1.00 0.00 N ATOM 0 H ASN A 17 18.972 4.208 -3.946 1.00 0.00 H new ATOM 0 HA ASN A 17 18.454 2.533 -1.648 1.00 0.00 H new ATOM 0 HB2 ASN A 17 18.983 1.312 -3.535 1.00 0.00 H new ATOM 0 HB3 ASN A 17 20.178 2.465 -4.096 1.00 0.00 H new ATOM 0 HD21 ASN A 17 22.637 0.139 -3.115 1.00 0.00 H new ATOM 0 HD22 ASN A 17 21.848 1.023 -4.425 1.00 0.00 H new ATOM 288 N GLY A 18 20.112 3.212 -0.019 1.00 0.00 N ATOM 289 CA GLY A 18 21.003 3.682 1.018 1.00 0.00 C ATOM 290 C GLY A 18 20.541 5.019 1.543 1.00 0.00 C ATOM 291 O GLY A 18 21.315 5.780 2.124 1.00 0.00 O ATOM 0 H GLY A 18 19.348 2.624 0.315 1.00 0.00 H new ATOM 0 HA2 GLY A 18 21.039 2.957 1.832 1.00 0.00 H new ATOM 0 HA3 GLY A 18 22.016 3.769 0.624 1.00 0.00 H new ATOM 295 N LYS A 19 19.268 5.305 1.314 1.00 0.00 N ATOM 296 CA LYS A 19 18.683 6.584 1.662 1.00 0.00 C ATOM 297 C LYS A 19 17.294 6.377 2.250 1.00 0.00 C ATOM 298 O LYS A 19 16.583 5.450 1.858 1.00 0.00 O ATOM 299 CB LYS A 19 18.594 7.420 0.390 1.00 0.00 C ATOM 300 CG LYS A 19 18.148 8.863 0.595 1.00 0.00 C ATOM 301 CD LYS A 19 19.261 9.746 1.137 1.00 0.00 C ATOM 302 CE LYS A 19 18.777 11.174 1.356 1.00 0.00 C ATOM 303 NZ LYS A 19 18.250 11.786 0.106 1.00 0.00 N ATOM 0 H LYS A 19 18.614 4.653 0.881 1.00 0.00 H new ATOM 0 HA LYS A 19 19.296 7.093 2.406 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.571 7.423 -0.093 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.900 6.936 -0.297 1.00 0.00 H new ATOM 0 HG2 LYS A 19 17.796 9.269 -0.353 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.304 8.884 1.284 1.00 0.00 H new ATOM 0 HD2 LYS A 19 19.628 9.336 2.078 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.100 9.747 0.441 1.00 0.00 H new ATOM 0 HE2 LYS A 19 17.997 11.179 2.118 1.00 0.00 H new ATOM 0 HE3 LYS A 19 19.599 11.780 1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 18.139 12.811 0.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 18.915 11.610 -0.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 17.327 11.365 -0.124 1.00 0.00 H new ATOM 317 N SER A 20 16.920 7.224 3.194 1.00 0.00 N ATOM 318 CA SER A 20 15.595 7.173 3.771 1.00 0.00 C ATOM 319 C SER A 20 14.582 7.660 2.743 1.00 0.00 C ATOM 320 O SER A 20 14.732 8.735 2.154 1.00 0.00 O ATOM 321 CB SER A 20 15.544 8.019 5.039 1.00 0.00 C ATOM 322 OG SER A 20 14.252 8.027 5.625 1.00 0.00 O ATOM 0 H SER A 20 17.520 7.956 3.575 1.00 0.00 H new ATOM 0 HA SER A 20 15.349 6.147 4.045 1.00 0.00 H new ATOM 0 HB2 SER A 20 16.266 7.635 5.760 1.00 0.00 H new ATOM 0 HB3 SER A 20 15.841 9.041 4.804 1.00 0.00 H new ATOM 0 HG SER A 20 14.264 8.579 6.435 1.00 0.00 H new ATOM 328 N ASN A 21 13.560 6.861 2.544 1.00 0.00 N ATOM 329 CA ASN A 21 12.587 7.078 1.484 1.00 0.00 C ATOM 330 C ASN A 21 11.187 6.889 2.056 1.00 0.00 C ATOM 331 O ASN A 21 11.038 6.418 3.188 1.00 0.00 O ATOM 332 CB ASN A 21 12.850 6.072 0.342 1.00 0.00 C ATOM 333 CG ASN A 21 12.153 6.420 -0.965 1.00 0.00 C ATOM 334 OD1 ASN A 21 11.911 7.701 -1.226 1.00 0.00 O flip ATOM 335 ND2 ASN A 21 11.829 5.526 -1.743 1.00 0.00 N flip ATOM 0 H ASN A 21 13.374 6.035 3.113 1.00 0.00 H new ATOM 0 HA ASN A 21 12.674 8.089 1.086 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.924 6.013 0.164 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.525 5.082 0.662 1.00 0.00 H new ATOM 0 HD21 ASN A 21 12.029 4.553 -1.513 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.360 5.757 -2.619 1.00 0.00 H new ATOM 342 N PHE A 22 10.160 7.238 1.289 1.00 0.00 N ATOM 343 CA PHE A 22 8.790 7.158 1.772 1.00 0.00 C ATOM 344 C PHE A 22 7.959 6.297 0.832 1.00 0.00 C ATOM 345 O PHE A 22 7.788 6.633 -0.342 1.00 0.00 O ATOM 346 CB PHE A 22 8.170 8.555 1.873 1.00 0.00 C ATOM 347 CG PHE A 22 8.708 9.401 2.991 1.00 0.00 C ATOM 348 CD1 PHE A 22 7.908 9.708 4.078 1.00 0.00 C ATOM 349 CD2 PHE A 22 10.001 9.896 2.953 1.00 0.00 C ATOM 350 CE1 PHE A 22 8.387 10.489 5.110 1.00 0.00 C ATOM 351 CE2 PHE A 22 10.487 10.678 3.980 1.00 0.00 C ATOM 352 CZ PHE A 22 9.680 10.974 5.060 1.00 0.00 C ATOM 0 H PHE A 22 10.252 7.578 0.332 1.00 0.00 H new ATOM 0 HA PHE A 22 8.800 6.707 2.764 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.331 9.078 0.930 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.092 8.451 2.000 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.897 9.332 4.119 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.636 9.667 2.110 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.754 10.720 5.954 1.00 0.00 H new ATOM 0 HE2 PHE A 22 11.497 11.058 3.939 1.00 0.00 H new ATOM 0 HZ PHE A 22 10.059 11.585 5.866 1.00 0.00 H new ATOM 362 N LEU A 23 7.455 5.185 1.345 1.00 0.00 N ATOM 363 CA LEU A 23 6.632 4.281 0.551 1.00 0.00 C ATOM 364 C LEU A 23 5.226 4.829 0.450 1.00 0.00 C ATOM 365 O LEU A 23 4.819 5.662 1.256 1.00 0.00 O ATOM 366 CB LEU A 23 6.582 2.900 1.199 1.00 0.00 C ATOM 367 CG LEU A 23 6.943 1.702 0.300 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.798 0.402 1.078 1.00 0.00 C ATOM 369 CD2 LEU A 23 6.082 1.650 -0.955 1.00 0.00 C ATOM 0 H LEU A 23 7.601 4.885 2.309 1.00 0.00 H new ATOM 0 HA LEU A 23 7.070 4.195 -0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.258 2.900 2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.576 2.743 1.588 1.00 0.00 H new ATOM 0 HG LEU A 23 7.979 1.830 -0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.055 -0.438 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.466 0.417 1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.768 0.295 1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.371 0.790 -1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.033 1.559 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.225 2.563 -1.532 1.00 0.00 H new ATOM 381 N ASN A 24 4.498 4.375 -0.541 1.00 0.00 N ATOM 382 CA ASN A 24 3.103 4.735 -0.684 1.00 0.00 C ATOM 383 C ASN A 24 2.307 3.546 -1.194 1.00 0.00 C ATOM 384 O ASN A 24 2.657 2.938 -2.207 1.00 0.00 O ATOM 385 CB ASN A 24 2.944 5.936 -1.624 1.00 0.00 C ATOM 386 CG ASN A 24 1.499 6.241 -1.959 1.00 0.00 C ATOM 387 OD1 ASN A 24 0.935 5.686 -2.898 1.00 0.00 O ATOM 388 ND2 ASN A 24 0.898 7.147 -1.207 1.00 0.00 N ATOM 0 H ASN A 24 4.849 3.751 -1.267 1.00 0.00 H new ATOM 0 HA ASN A 24 2.716 5.021 0.294 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.397 6.814 -1.162 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.492 5.743 -2.546 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.069 7.408 -1.398 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.402 7.585 -0.436 1.00 0.00 H new ATOM 395 N CYS A 25 1.251 3.207 -0.477 1.00 0.00 N ATOM 396 CA CYS A 25 0.357 2.143 -0.887 1.00 0.00 C ATOM 397 C CYS A 25 -1.064 2.696 -0.897 1.00 0.00 C ATOM 398 O CYS A 25 -1.571 3.156 0.132 1.00 0.00 O ATOM 399 CB CYS A 25 0.489 0.950 0.062 1.00 0.00 C ATOM 400 SG CYS A 25 0.087 -0.663 -0.687 1.00 0.00 S ATOM 0 H CYS A 25 0.991 3.659 0.400 1.00 0.00 H new ATOM 0 HA CYS A 25 0.612 1.789 -1.886 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.510 0.915 0.441 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.164 1.111 0.920 1.00 0.00 H new ATOM 405 N TYR A 26 -1.684 2.669 -2.062 1.00 0.00 N ATOM 406 CA TYR A 26 -2.990 3.272 -2.262 1.00 0.00 C ATOM 407 C TYR A 26 -3.977 2.207 -2.687 1.00 0.00 C ATOM 408 O TYR A 26 -3.969 1.759 -3.834 1.00 0.00 O ATOM 409 CB TYR A 26 -2.929 4.364 -3.337 1.00 0.00 C ATOM 410 CG TYR A 26 -3.053 5.789 -2.826 1.00 0.00 C ATOM 411 CD1 TYR A 26 -1.947 6.627 -2.778 1.00 0.00 C ATOM 412 CD2 TYR A 26 -4.282 6.311 -2.430 1.00 0.00 C ATOM 413 CE1 TYR A 26 -2.057 7.937 -2.352 1.00 0.00 C ATOM 414 CE2 TYR A 26 -4.396 7.620 -1.998 1.00 0.00 C ATOM 415 CZ TYR A 26 -3.284 8.427 -1.964 1.00 0.00 C ATOM 416 OH TYR A 26 -3.399 9.731 -1.539 1.00 0.00 O ATOM 0 H TYR A 26 -1.297 2.229 -2.897 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.309 3.725 -1.323 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.985 4.269 -3.874 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.726 4.184 -4.059 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.982 6.248 -3.079 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.160 5.683 -2.461 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.185 8.573 -2.324 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.356 8.007 -1.688 1.00 0.00 H new ATOM 0 HH TYR A 26 -4.332 9.917 -1.303 1.00 0.00 H new ATOM 426 N VAL A 27 -4.805 1.778 -1.761 1.00 0.00 N ATOM 427 CA VAL A 27 -5.828 0.809 -2.072 1.00 0.00 C ATOM 428 C VAL A 27 -7.182 1.499 -2.040 1.00 0.00 C ATOM 429 O VAL A 27 -7.673 1.862 -0.975 1.00 0.00 O ATOM 430 CB VAL A 27 -5.820 -0.382 -1.091 1.00 0.00 C ATOM 431 CG1 VAL A 27 -6.495 -1.579 -1.732 1.00 0.00 C ATOM 432 CG2 VAL A 27 -4.405 -0.732 -0.653 1.00 0.00 C ATOM 0 H VAL A 27 -4.789 2.085 -0.788 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.627 0.407 -3.065 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.375 -0.095 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.487 -2.417 -1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.525 -1.325 -1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.959 -1.856 -2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.436 -1.575 0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.810 -1.000 -1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.955 0.127 -0.156 1.00 0.00 H new ATOM 442 N SER A 28 -7.759 1.723 -3.210 1.00 0.00 N ATOM 443 CA SER A 28 -9.015 2.446 -3.304 1.00 0.00 C ATOM 444 C SER A 28 -9.859 1.920 -4.463 1.00 0.00 C ATOM 445 O SER A 28 -9.454 0.993 -5.171 1.00 0.00 O ATOM 446 CB SER A 28 -8.744 3.946 -3.467 1.00 0.00 C ATOM 447 OG SER A 28 -9.944 4.701 -3.375 1.00 0.00 O ATOM 0 H SER A 28 -7.378 1.415 -4.105 1.00 0.00 H new ATOM 0 HA SER A 28 -9.577 2.289 -2.383 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.044 4.277 -2.699 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.270 4.129 -4.431 1.00 0.00 H new ATOM 0 HG SER A 28 -10.383 4.514 -2.519 1.00 0.00 H new ATOM 453 N GLY A 29 -11.030 2.520 -4.649 1.00 0.00 N ATOM 454 CA GLY A 29 -11.960 2.049 -5.648 1.00 0.00 C ATOM 455 C GLY A 29 -13.006 1.146 -5.038 1.00 0.00 C ATOM 456 O GLY A 29 -13.725 0.452 -5.746 1.00 0.00 O ATOM 0 H GLY A 29 -11.350 3.331 -4.119 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.445 2.900 -6.127 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.420 1.510 -6.426 1.00 0.00 H new ATOM 460 N PHE A 30 -13.094 1.166 -3.713 1.00 0.00 N ATOM 461 CA PHE A 30 -13.942 0.224 -2.997 1.00 0.00 C ATOM 462 C PHE A 30 -14.889 0.927 -2.022 1.00 0.00 C ATOM 463 O PHE A 30 -14.867 2.155 -1.883 1.00 0.00 O ATOM 464 CB PHE A 30 -13.070 -0.754 -2.206 1.00 0.00 C ATOM 465 CG PHE A 30 -12.328 -0.083 -1.082 1.00 0.00 C ATOM 466 CD1 PHE A 30 -11.109 0.518 -1.317 1.00 0.00 C ATOM 467 CD2 PHE A 30 -12.859 -0.025 0.202 1.00 0.00 C ATOM 468 CE1 PHE A 30 -10.434 1.163 -0.306 1.00 0.00 C ATOM 469 CE2 PHE A 30 -12.178 0.615 1.218 1.00 0.00 C ATOM 470 CZ PHE A 30 -10.967 1.211 0.961 1.00 0.00 C ATOM 0 H PHE A 30 -12.590 1.822 -3.116 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.541 -0.301 -3.741 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.696 -1.549 -1.801 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.354 -1.225 -2.880 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -10.679 0.482 -2.307 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -13.814 -0.486 0.406 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.483 1.633 -0.508 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.596 0.647 2.213 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.434 1.717 1.753 1.00 0.00 H new ATOM 480 N HIS A 31 -15.709 0.117 -1.352 1.00 0.00 N ATOM 481 CA HIS A 31 -16.497 0.539 -0.205 1.00 0.00 C ATOM 482 C HIS A 31 -16.904 -0.725 0.556 1.00 0.00 C ATOM 483 O HIS A 31 -16.837 -1.812 -0.018 1.00 0.00 O ATOM 484 CB HIS A 31 -17.725 1.371 -0.624 1.00 0.00 C ATOM 485 CG HIS A 31 -18.688 0.674 -1.540 1.00 0.00 C ATOM 486 ND1 HIS A 31 -19.876 0.166 -1.076 1.00 0.00 N ATOM 487 CD2 HIS A 31 -18.616 0.473 -2.878 1.00 0.00 C ATOM 488 CE1 HIS A 31 -20.500 -0.324 -2.131 1.00 0.00 C ATOM 489 NE2 HIS A 31 -19.776 -0.162 -3.251 1.00 0.00 N ATOM 0 H HIS A 31 -15.843 -0.864 -1.598 1.00 0.00 H new ATOM 0 HA HIS A 31 -15.905 1.194 0.435 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.260 1.677 0.275 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -17.377 2.281 -1.113 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -17.802 0.758 -3.528 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -21.471 -0.796 -2.098 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -20.036 -0.453 -4.193 1.00 0.00 H new ATOM 497 N PRO A 32 -17.287 -0.651 1.848 1.00 0.00 N ATOM 498 CA PRO A 32 -17.337 0.588 2.641 1.00 0.00 C ATOM 499 C PRO A 32 -15.949 1.146 2.964 1.00 0.00 C ATOM 500 O PRO A 32 -14.934 0.654 2.481 1.00 0.00 O ATOM 501 CB PRO A 32 -18.033 0.146 3.934 1.00 0.00 C ATOM 502 CG PRO A 32 -17.732 -1.304 4.046 1.00 0.00 C ATOM 503 CD PRO A 32 -17.712 -1.821 2.638 1.00 0.00 C ATOM 0 HA PRO A 32 -17.846 1.388 2.103 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -17.655 0.697 4.795 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -19.107 0.325 3.887 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -16.773 -1.469 4.538 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -18.488 -1.817 4.641 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -17.018 -2.654 2.526 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -18.694 -2.180 2.328 1.00 0.00 H new ATOM 511 N SER A 33 -15.957 2.187 3.787 1.00 0.00 N ATOM 512 CA SER A 33 -14.756 2.968 4.157 1.00 0.00 C ATOM 513 C SER A 33 -13.560 2.139 4.659 1.00 0.00 C ATOM 514 O SER A 33 -12.462 2.681 4.797 1.00 0.00 O ATOM 515 CB SER A 33 -15.130 3.978 5.244 1.00 0.00 C ATOM 516 OG SER A 33 -16.334 4.648 4.915 1.00 0.00 O ATOM 0 H SER A 33 -16.809 2.529 4.231 1.00 0.00 H new ATOM 0 HA SER A 33 -14.428 3.445 3.233 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.243 3.466 6.199 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.326 4.704 5.365 1.00 0.00 H new ATOM 0 HG SER A 33 -16.210 5.156 4.086 1.00 0.00 H new ATOM 522 N ASP A 34 -13.746 0.857 4.937 1.00 0.00 N ATOM 523 CA ASP A 34 -12.681 0.073 5.565 1.00 0.00 C ATOM 524 C ASP A 34 -12.113 -1.011 4.655 1.00 0.00 C ATOM 525 O ASP A 34 -12.849 -1.802 4.062 1.00 0.00 O ATOM 526 CB ASP A 34 -13.169 -0.589 6.862 1.00 0.00 C ATOM 527 CG ASP A 34 -13.376 0.389 7.994 1.00 0.00 C ATOM 528 OD1 ASP A 34 -12.377 0.790 8.629 1.00 0.00 O ATOM 529 OD2 ASP A 34 -14.537 0.739 8.277 1.00 0.00 O ATOM 0 H ASP A 34 -14.605 0.341 4.744 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.887 0.789 5.779 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.106 -1.109 6.665 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.445 -1.343 7.171 1.00 0.00 H new ATOM 534 N ILE A 35 -10.789 -1.028 4.577 1.00 0.00 N ATOM 535 CA ILE A 35 -10.028 -2.136 4.011 1.00 0.00 C ATOM 536 C ILE A 35 -8.764 -2.278 4.841 1.00 0.00 C ATOM 537 O ILE A 35 -8.339 -1.313 5.484 1.00 0.00 O ATOM 538 CB ILE A 35 -9.630 -1.927 2.527 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.200 -3.263 1.903 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.500 -0.914 2.407 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.299 -3.127 0.685 1.00 0.00 C ATOM 0 H ILE A 35 -10.204 -0.262 4.910 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.658 -3.025 4.036 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.498 -1.542 1.992 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.682 -3.853 2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.092 -3.821 1.619 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.238 -0.784 1.357 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.822 0.041 2.822 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.630 -1.273 2.956 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.044 -4.118 0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.819 -2.567 -0.092 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.387 -2.599 0.964 1.00 0.00 H new ATOM 553 N GLU A 36 -8.178 -3.454 4.878 1.00 0.00 N ATOM 554 CA GLU A 36 -6.952 -3.637 5.623 1.00 0.00 C ATOM 555 C GLU A 36 -5.820 -3.988 4.679 1.00 0.00 C ATOM 556 O GLU A 36 -5.882 -4.985 3.952 1.00 0.00 O ATOM 557 CB GLU A 36 -7.109 -4.734 6.670 1.00 0.00 C ATOM 558 CG GLU A 36 -6.059 -4.672 7.772 1.00 0.00 C ATOM 559 CD GLU A 36 -6.022 -3.317 8.442 1.00 0.00 C ATOM 560 OE1 GLU A 36 -5.161 -2.497 8.072 1.00 0.00 O ATOM 561 OE2 GLU A 36 -6.868 -3.064 9.324 1.00 0.00 O ATOM 0 H GLU A 36 -8.525 -4.289 4.407 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.721 -2.703 6.135 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.100 -4.660 7.118 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.053 -5.706 6.179 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.269 -5.439 8.517 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.078 -4.896 7.352 1.00 0.00 H new ATOM 568 N VAL A 37 -4.794 -3.167 4.696 1.00 0.00 N ATOM 569 CA VAL A 37 -3.637 -3.367 3.845 1.00 0.00 C ATOM 570 C VAL A 37 -2.359 -3.237 4.664 1.00 0.00 C ATOM 571 O VAL A 37 -2.241 -2.373 5.532 1.00 0.00 O ATOM 572 CB VAL A 37 -3.637 -2.416 2.606 1.00 0.00 C ATOM 573 CG1 VAL A 37 -4.680 -1.333 2.770 1.00 0.00 C ATOM 574 CG2 VAL A 37 -2.260 -1.805 2.313 1.00 0.00 C ATOM 0 H VAL A 37 -4.735 -2.345 5.296 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.687 -4.379 3.442 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.889 -3.030 1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.666 -0.679 1.898 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.666 -1.789 2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.461 -0.749 3.664 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.329 -1.155 1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.929 -1.224 3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.543 -2.602 2.116 1.00 0.00 H new ATOM 584 N ASP A 38 -1.437 -4.132 4.391 1.00 0.00 N ATOM 585 CA ASP A 38 -0.175 -4.189 5.110 1.00 0.00 C ATOM 586 C ASP A 38 0.986 -4.204 4.137 1.00 0.00 C ATOM 587 O ASP A 38 0.876 -4.725 3.030 1.00 0.00 O ATOM 588 CB ASP A 38 -0.118 -5.407 6.039 1.00 0.00 C ATOM 589 CG ASP A 38 1.256 -5.628 6.605 1.00 0.00 C ATOM 590 OD1 ASP A 38 1.957 -6.535 6.118 1.00 0.00 O ATOM 591 OD2 ASP A 38 1.628 -4.899 7.549 1.00 0.00 O ATOM 0 H ASP A 38 -1.536 -4.842 3.666 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.100 -3.296 5.730 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.828 -5.272 6.855 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.429 -6.295 5.489 1.00 0.00 H new ATOM 596 N LEU A 39 2.089 -3.614 4.549 1.00 0.00 N ATOM 597 CA LEU A 39 3.270 -3.533 3.715 1.00 0.00 C ATOM 598 C LEU A 39 4.269 -4.603 4.138 1.00 0.00 C ATOM 599 O LEU A 39 4.474 -4.841 5.330 1.00 0.00 O ATOM 600 CB LEU A 39 3.914 -2.156 3.825 1.00 0.00 C ATOM 601 CG LEU A 39 2.975 -0.955 3.721 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.772 0.329 3.851 1.00 0.00 C ATOM 603 CD2 LEU A 39 2.198 -0.964 2.418 1.00 0.00 C ATOM 0 H LEU A 39 2.192 -3.179 5.466 1.00 0.00 H new ATOM 0 HA LEU A 39 2.976 -3.696 2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.437 -2.099 4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.668 -2.068 3.043 1.00 0.00 H new ATOM 0 HG LEU A 39 2.251 -1.018 4.534 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.100 1.184 3.776 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.277 0.348 4.817 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.513 0.380 3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.541 -0.095 2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.893 -0.930 1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.600 -1.874 2.357 1.00 0.00 H new ATOM 615 N LEU A 40 4.897 -5.226 3.165 1.00 0.00 N ATOM 616 CA LEU A 40 5.764 -6.357 3.412 1.00 0.00 C ATOM 617 C LEU A 40 7.219 -6.044 3.132 1.00 0.00 C ATOM 618 O LEU A 40 7.580 -4.968 2.659 1.00 0.00 O ATOM 619 CB LEU A 40 5.377 -7.559 2.562 1.00 0.00 C ATOM 620 CG LEU A 40 3.887 -7.853 2.458 1.00 0.00 C ATOM 621 CD1 LEU A 40 3.664 -8.981 1.464 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.318 -8.204 3.827 1.00 0.00 C ATOM 0 H LEU A 40 4.821 -4.963 2.182 1.00 0.00 H new ATOM 0 HA LEU A 40 5.640 -6.587 4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.768 -7.408 1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.873 -8.440 2.968 1.00 0.00 H new ATOM 0 HG LEU A 40 3.365 -6.965 2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.598 -9.193 1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.046 -8.686 0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.188 -9.874 1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.252 -8.411 3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.827 -9.085 4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.468 -7.367 4.509 1.00 0.00 H new ATOM 634 N LYS A 41 8.017 -7.052 3.412 1.00 0.00 N ATOM 635 CA LYS A 41 9.449 -7.034 3.206 1.00 0.00 C ATOM 636 C LYS A 41 9.910 -8.428 2.868 1.00 0.00 C ATOM 637 O LYS A 41 9.972 -9.298 3.737 1.00 0.00 O ATOM 638 CB LYS A 41 10.185 -6.525 4.425 1.00 0.00 C ATOM 639 CG LYS A 41 9.840 -5.082 4.764 1.00 0.00 C ATOM 640 CD LYS A 41 10.828 -4.470 5.777 1.00 0.00 C ATOM 641 CE LYS A 41 10.639 -5.066 7.164 1.00 0.00 C ATOM 642 NZ LYS A 41 11.566 -4.467 8.160 1.00 0.00 N ATOM 0 H LYS A 41 7.677 -7.932 3.800 1.00 0.00 H new ATOM 0 HA LYS A 41 9.672 -6.353 2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.948 -7.160 5.278 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.259 -6.607 4.256 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.842 -4.486 3.852 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.830 -5.038 5.172 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.850 -4.643 5.441 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.685 -3.390 5.820 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.610 -4.911 7.488 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.801 -6.143 7.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.403 -4.902 9.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.549 -4.637 7.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.395 -3.443 8.221 1.00 0.00 H new ATOM 656 N ASN A 42 10.161 -8.636 1.588 1.00 0.00 N ATOM 657 CA ASN A 42 10.562 -9.944 1.038 1.00 0.00 C ATOM 658 C ASN A 42 9.380 -10.919 1.040 1.00 0.00 C ATOM 659 O ASN A 42 9.337 -11.870 0.259 1.00 0.00 O ATOM 660 CB ASN A 42 11.740 -10.553 1.825 1.00 0.00 C ATOM 661 CG ASN A 42 13.044 -9.779 1.689 1.00 0.00 C ATOM 662 OD1 ASN A 42 12.960 -8.476 1.480 1.00 0.00 O flip ATOM 663 ND2 ASN A 42 14.128 -10.354 1.784 1.00 0.00 N flip ATOM 0 H ASN A 42 10.095 -7.902 0.883 1.00 0.00 H new ATOM 0 HA ASN A 42 10.886 -9.777 0.011 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.470 -10.606 2.880 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.900 -11.576 1.485 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.159 -11.361 1.945 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.995 -9.824 1.701 1.00 0.00 H new ATOM 670 N GLY A 43 8.431 -10.664 1.923 1.00 0.00 N ATOM 671 CA GLY A 43 7.283 -11.525 2.089 1.00 0.00 C ATOM 672 C GLY A 43 6.836 -11.547 3.536 1.00 0.00 C ATOM 673 O GLY A 43 5.889 -12.244 3.898 1.00 0.00 O ATOM 0 H GLY A 43 8.438 -9.854 2.543 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.467 -11.177 1.456 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.530 -12.536 1.764 1.00 0.00 H new ATOM 677 N GLU A 44 7.525 -10.770 4.364 1.00 0.00 N ATOM 678 CA GLU A 44 7.232 -10.695 5.782 1.00 0.00 C ATOM 679 C GLU A 44 6.640 -9.336 6.115 1.00 0.00 C ATOM 680 O GLU A 44 6.890 -8.368 5.407 1.00 0.00 O ATOM 681 CB GLU A 44 8.516 -10.903 6.571 1.00 0.00 C ATOM 682 CG GLU A 44 9.210 -12.212 6.258 1.00 0.00 C ATOM 683 CD GLU A 44 10.344 -12.507 7.213 1.00 0.00 C ATOM 684 OE1 GLU A 44 10.077 -13.038 8.311 1.00 0.00 O ATOM 685 OE2 GLU A 44 11.508 -12.204 6.873 1.00 0.00 O ATOM 0 H GLU A 44 8.300 -10.177 4.067 1.00 0.00 H new ATOM 0 HA GLU A 44 6.512 -11.470 6.046 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.199 -10.080 6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.289 -10.867 7.636 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.484 -13.024 6.299 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.596 -12.181 5.239 1.00 0.00 H new ATOM 692 N ARG A 45 5.851 -9.265 7.177 1.00 0.00 N ATOM 693 CA ARG A 45 5.246 -8.004 7.585 1.00 0.00 C ATOM 694 C ARG A 45 6.319 -7.041 8.104 1.00 0.00 C ATOM 695 O ARG A 45 7.304 -7.469 8.709 1.00 0.00 O ATOM 696 CB ARG A 45 4.185 -8.252 8.673 1.00 0.00 C ATOM 697 CG ARG A 45 3.122 -7.159 8.757 1.00 0.00 C ATOM 698 CD ARG A 45 1.942 -7.521 9.656 1.00 0.00 C ATOM 699 NE ARG A 45 1.066 -6.368 9.857 1.00 0.00 N ATOM 700 CZ ARG A 45 0.162 -6.274 10.830 1.00 0.00 C ATOM 701 NH1 ARG A 45 0.017 -7.263 11.707 1.00 0.00 N ATOM 702 NH2 ARG A 45 -0.603 -5.192 10.923 1.00 0.00 N ATOM 0 H ARG A 45 5.615 -10.061 7.770 1.00 0.00 H new ATOM 0 HA ARG A 45 4.763 -7.553 6.718 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.696 -9.207 8.480 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.682 -8.338 9.639 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.583 -6.243 9.128 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.752 -6.946 7.754 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.377 -8.339 9.209 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.309 -7.876 10.619 1.00 0.00 H new ATOM 0 HE ARG A 45 1.153 -5.585 9.210 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.599 -8.097 11.636 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.677 -7.187 12.451 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.498 -4.434 10.249 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.296 -5.120 11.668 1.00 0.00 H new ATOM 716 N ILE A 46 6.131 -5.752 7.844 1.00 0.00 N ATOM 717 CA ILE A 46 7.063 -4.715 8.291 1.00 0.00 C ATOM 718 C ILE A 46 6.943 -4.470 9.799 1.00 0.00 C ATOM 719 O ILE A 46 7.303 -5.325 10.612 1.00 0.00 O ATOM 720 CB ILE A 46 6.865 -3.408 7.436 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.331 -3.672 6.009 1.00 0.00 C ATOM 722 CG2 ILE A 46 7.600 -2.176 7.982 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.157 -2.502 5.076 1.00 0.00 C ATOM 0 H ILE A 46 5.333 -5.394 7.320 1.00 0.00 H new ATOM 0 HA ILE A 46 8.085 -5.057 8.126 1.00 0.00 H new ATOM 0 HB ILE A 46 5.801 -3.173 7.480 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.384 -3.953 6.029 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.781 -4.525 5.611 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.409 -1.321 7.333 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.242 -1.955 8.988 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.671 -2.376 8.014 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.513 -2.773 4.082 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.102 -2.233 5.023 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.730 -1.652 5.447 1.00 0.00 H new ATOM 735 N GLU A 47 6.377 -3.335 10.134 1.00 0.00 N ATOM 736 CA GLU A 47 6.290 -2.794 11.486 1.00 0.00 C ATOM 737 C GLU A 47 5.854 -1.331 11.432 1.00 0.00 C ATOM 738 O GLU A 47 4.752 -0.989 11.856 1.00 0.00 O ATOM 739 CB GLU A 47 7.630 -2.930 12.237 1.00 0.00 C ATOM 740 CG GLU A 47 8.824 -2.881 11.333 1.00 0.00 C ATOM 741 CD GLU A 47 9.916 -1.936 11.775 1.00 0.00 C ATOM 742 OE1 GLU A 47 10.661 -1.445 10.900 1.00 0.00 O ATOM 743 OE2 GLU A 47 10.031 -1.675 12.987 1.00 0.00 O ATOM 0 H GLU A 47 5.940 -2.727 9.442 1.00 0.00 H new ATOM 0 HA GLU A 47 5.546 -3.371 12.036 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.708 -2.131 12.974 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.637 -3.872 12.786 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.242 -3.884 11.252 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.495 -2.592 10.335 1.00 0.00 H new ATOM 750 N LYS A 48 6.714 -0.481 10.883 1.00 0.00 N ATOM 751 CA LYS A 48 6.500 0.974 10.910 1.00 0.00 C ATOM 752 C LYS A 48 5.463 1.466 9.918 1.00 0.00 C ATOM 753 O LYS A 48 5.454 2.641 9.553 1.00 0.00 O ATOM 754 CB LYS A 48 7.802 1.703 10.651 1.00 0.00 C ATOM 755 CG LYS A 48 8.918 1.108 11.449 1.00 0.00 C ATOM 756 CD LYS A 48 10.229 1.856 11.282 1.00 0.00 C ATOM 757 CE LYS A 48 10.716 1.847 9.844 1.00 0.00 C ATOM 758 NZ LYS A 48 11.929 2.690 9.671 1.00 0.00 N ATOM 0 H LYS A 48 7.571 -0.769 10.411 1.00 0.00 H new ATOM 0 HA LYS A 48 6.119 1.191 11.908 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.044 1.656 9.589 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.690 2.757 10.906 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.641 1.102 12.503 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.058 0.069 11.150 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.102 2.886 11.614 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.987 1.405 11.923 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.937 0.824 9.541 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.924 2.210 9.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.880 3.186 8.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.980 3.387 10.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.776 2.088 9.693 1.00 0.00 H new ATOM 772 N VAL A 49 4.615 0.582 9.468 1.00 0.00 N ATOM 773 CA VAL A 49 3.548 0.965 8.569 1.00 0.00 C ATOM 774 C VAL A 49 2.509 1.795 9.300 1.00 0.00 C ATOM 775 O VAL A 49 1.965 1.371 10.321 1.00 0.00 O ATOM 776 CB VAL A 49 2.852 -0.243 7.940 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.814 0.234 6.934 1.00 0.00 C ATOM 778 CG2 VAL A 49 3.874 -1.167 7.297 1.00 0.00 C ATOM 0 H VAL A 49 4.638 -0.410 9.706 1.00 0.00 H new ATOM 0 HA VAL A 49 4.011 1.549 7.773 1.00 0.00 H new ATOM 0 HB VAL A 49 2.339 -0.813 8.714 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.319 -0.627 6.486 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.075 0.855 7.440 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.304 0.817 6.154 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.363 -2.022 6.854 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.416 -0.626 6.521 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.576 -1.516 8.054 1.00 0.00 H new ATOM 788 N GLU A 50 2.234 2.968 8.768 1.00 0.00 N ATOM 789 CA GLU A 50 1.278 3.863 9.364 1.00 0.00 C ATOM 790 C GLU A 50 0.324 4.387 8.312 1.00 0.00 C ATOM 791 O GLU A 50 0.706 4.638 7.166 1.00 0.00 O ATOM 792 CB GLU A 50 1.978 5.037 10.051 1.00 0.00 C ATOM 793 CG GLU A 50 2.970 4.623 11.120 1.00 0.00 C ATOM 794 CD GLU A 50 3.593 5.816 11.811 1.00 0.00 C ATOM 795 OE1 GLU A 50 4.489 6.455 11.221 1.00 0.00 O ATOM 796 OE2 GLU A 50 3.182 6.130 12.945 1.00 0.00 O ATOM 0 H GLU A 50 2.667 3.322 7.915 1.00 0.00 H new ATOM 0 HA GLU A 50 0.719 3.304 10.114 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.498 5.629 9.297 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.224 5.684 10.500 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.467 3.999 11.859 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.755 4.015 10.670 1.00 0.00 H new ATOM 803 N HIS A 51 -0.911 4.529 8.713 1.00 0.00 N ATOM 804 CA HIS A 51 -1.907 5.183 7.890 1.00 0.00 C ATOM 805 C HIS A 51 -2.148 6.588 8.427 1.00 0.00 C ATOM 806 O HIS A 51 -2.396 6.778 9.620 1.00 0.00 O ATOM 807 CB HIS A 51 -3.210 4.373 7.816 1.00 0.00 C ATOM 808 CG HIS A 51 -3.878 4.095 9.136 1.00 0.00 C ATOM 809 ND1 HIS A 51 -5.034 4.744 9.498 1.00 0.00 N ATOM 810 CD2 HIS A 51 -3.542 3.217 10.117 1.00 0.00 C ATOM 811 CE1 HIS A 51 -5.375 4.250 10.675 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.503 3.321 11.090 1.00 0.00 N ATOM 0 H HIS A 51 -1.259 4.199 9.613 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.534 5.249 6.868 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.914 4.908 7.178 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.998 3.421 7.329 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.683 2.563 10.128 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.247 4.557 11.233 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.546 2.793 11.962 1.00 0.00 H new ATOM 820 N SER A 52 -1.994 7.574 7.559 1.00 0.00 N ATOM 821 CA SER A 52 -2.192 8.968 7.939 1.00 0.00 C ATOM 822 C SER A 52 -3.674 9.328 7.875 1.00 0.00 C ATOM 823 O SER A 52 -4.529 8.438 7.876 1.00 0.00 O ATOM 824 CB SER A 52 -1.377 9.891 7.024 1.00 0.00 C ATOM 825 OG SER A 52 -1.376 11.227 7.504 1.00 0.00 O ATOM 0 H SER A 52 -1.732 7.437 6.583 1.00 0.00 H new ATOM 0 HA SER A 52 -1.846 9.103 8.964 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.352 9.526 6.957 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.792 9.865 6.016 1.00 0.00 H new ATOM 0 HG SER A 52 -1.738 11.822 6.815 1.00 0.00 H new ATOM 831 N ASP A 53 -3.973 10.625 7.846 1.00 0.00 N ATOM 832 CA ASP A 53 -5.350 11.095 7.747 1.00 0.00 C ATOM 833 C ASP A 53 -6.069 10.389 6.607 1.00 0.00 C ATOM 834 O ASP A 53 -5.658 10.494 5.450 1.00 0.00 O ATOM 835 CB ASP A 53 -5.406 12.607 7.533 1.00 0.00 C ATOM 836 CG ASP A 53 -6.833 13.116 7.460 1.00 0.00 C ATOM 837 OD1 ASP A 53 -7.518 13.118 8.503 1.00 0.00 O ATOM 838 OD2 ASP A 53 -7.278 13.517 6.360 1.00 0.00 O ATOM 0 H ASP A 53 -3.277 11.370 7.890 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.848 10.862 8.688 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.883 13.108 8.347 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.882 12.863 6.612 1.00 0.00 H new ATOM 843 N LEU A 54 -7.122 9.663 6.968 1.00 0.00 N ATOM 844 CA LEU A 54 -7.844 8.776 6.056 1.00 0.00 C ATOM 845 C LEU A 54 -8.087 9.431 4.694 1.00 0.00 C ATOM 846 O LEU A 54 -7.345 9.188 3.736 1.00 0.00 O ATOM 847 CB LEU A 54 -9.172 8.358 6.724 1.00 0.00 C ATOM 848 CG LEU A 54 -9.903 7.141 6.132 1.00 0.00 C ATOM 849 CD1 LEU A 54 -10.727 7.519 4.914 1.00 0.00 C ATOM 850 CD2 LEU A 54 -8.911 6.046 5.784 1.00 0.00 C ATOM 0 H LEU A 54 -7.505 9.673 7.913 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.236 7.892 5.864 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.972 8.153 7.776 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.851 9.210 6.689 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.591 6.767 6.891 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.228 6.633 4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.472 8.263 5.195 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.073 7.933 4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.444 5.192 5.366 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.197 6.422 5.051 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.379 5.737 6.684 1.00 0.00 H new ATOM 862 N SER A 55 -9.117 10.258 4.630 1.00 0.00 N ATOM 863 CA SER A 55 -9.515 10.954 3.416 1.00 0.00 C ATOM 864 C SER A 55 -10.856 11.601 3.691 1.00 0.00 C ATOM 865 O SER A 55 -11.317 11.600 4.835 1.00 0.00 O ATOM 866 CB SER A 55 -9.637 9.991 2.220 1.00 0.00 C ATOM 867 OG SER A 55 -9.809 10.700 1.001 1.00 0.00 O ATOM 0 H SER A 55 -9.710 10.469 5.433 1.00 0.00 H new ATOM 0 HA SER A 55 -8.759 11.694 3.154 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.744 9.369 2.159 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.482 9.320 2.375 1.00 0.00 H new ATOM 0 HG SER A 55 -10.266 10.127 0.351 1.00 0.00 H new ATOM 873 N PHE A 56 -11.471 12.170 2.677 1.00 0.00 N ATOM 874 CA PHE A 56 -12.862 12.540 2.784 1.00 0.00 C ATOM 875 C PHE A 56 -13.563 12.145 1.499 1.00 0.00 C ATOM 876 O PHE A 56 -13.333 12.730 0.438 1.00 0.00 O ATOM 877 CB PHE A 56 -13.056 14.032 3.068 1.00 0.00 C ATOM 878 CG PHE A 56 -14.444 14.349 3.551 1.00 0.00 C ATOM 879 CD1 PHE A 56 -14.705 14.482 4.906 1.00 0.00 C ATOM 880 CD2 PHE A 56 -15.491 14.495 2.655 1.00 0.00 C ATOM 881 CE1 PHE A 56 -15.982 14.758 5.355 1.00 0.00 C ATOM 882 CE2 PHE A 56 -16.769 14.771 3.099 1.00 0.00 C ATOM 883 CZ PHE A 56 -17.015 14.902 4.450 1.00 0.00 C ATOM 0 H PHE A 56 -11.035 12.384 1.780 1.00 0.00 H new ATOM 0 HA PHE A 56 -13.294 12.012 3.634 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -12.332 14.354 3.816 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -12.851 14.601 2.161 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -13.901 14.369 5.618 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -15.305 14.392 1.596 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -16.172 14.861 6.413 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -17.575 14.884 2.389 1.00 0.00 H new ATOM 0 HZ PHE A 56 -18.014 15.117 4.799 1.00 0.00 H new ATOM 893 N SER A 57 -14.390 11.130 1.603 1.00 0.00 N ATOM 894 CA SER A 57 -15.138 10.626 0.475 1.00 0.00 C ATOM 895 C SER A 57 -16.611 10.571 0.840 1.00 0.00 C ATOM 896 O SER A 57 -16.953 10.608 2.023 1.00 0.00 O ATOM 897 CB SER A 57 -14.618 9.239 0.107 1.00 0.00 C ATOM 898 OG SER A 57 -13.203 9.247 0.009 1.00 0.00 O ATOM 0 H SER A 57 -14.563 10.630 2.475 1.00 0.00 H new ATOM 0 HA SER A 57 -15.015 11.283 -0.386 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.932 8.515 0.859 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.052 8.922 -0.841 1.00 0.00 H new ATOM 0 HG SER A 57 -12.816 8.883 0.833 1.00 0.00 H new ATOM 904 N LYS A 58 -17.489 10.499 -0.150 1.00 0.00 N ATOM 905 CA LYS A 58 -18.907 10.395 0.131 1.00 0.00 C ATOM 906 C LYS A 58 -19.366 8.935 0.061 1.00 0.00 C ATOM 907 O LYS A 58 -18.724 8.083 0.660 1.00 0.00 O ATOM 908 CB LYS A 58 -19.700 11.320 -0.790 1.00 0.00 C ATOM 909 CG LYS A 58 -19.590 12.778 -0.362 1.00 0.00 C ATOM 910 CD LYS A 58 -20.312 13.721 -1.310 1.00 0.00 C ATOM 911 CE LYS A 58 -19.491 14.019 -2.554 1.00 0.00 C ATOM 912 NZ LYS A 58 -18.181 14.647 -2.222 1.00 0.00 N ATOM 0 H LYS A 58 -17.246 10.511 -1.141 1.00 0.00 H new ATOM 0 HA LYS A 58 -19.100 10.728 1.151 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -19.337 11.213 -1.812 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -20.748 11.020 -0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -20.002 12.891 0.641 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -18.538 13.059 -0.307 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -21.266 13.281 -1.602 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -20.536 14.653 -0.792 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -19.320 13.094 -3.106 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -20.055 14.682 -3.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.824 15.163 -3.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -18.304 15.308 -1.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.500 13.908 -1.954 1.00 0.00 H new ATOM 926 N ASP A 59 -20.421 8.606 -0.679 1.00 0.00 N ATOM 927 CA ASP A 59 -21.010 7.273 -0.566 1.00 0.00 C ATOM 928 C ASP A 59 -20.721 6.441 -1.801 1.00 0.00 C ATOM 929 O ASP A 59 -21.558 5.647 -2.230 1.00 0.00 O ATOM 930 CB ASP A 59 -22.526 7.369 -0.372 1.00 0.00 C ATOM 931 CG ASP A 59 -22.920 8.171 0.848 1.00 0.00 C ATOM 932 OD1 ASP A 59 -22.989 7.594 1.953 1.00 0.00 O ATOM 933 OD2 ASP A 59 -23.173 9.384 0.708 1.00 0.00 O ATOM 0 H ASP A 59 -20.877 9.226 -1.348 1.00 0.00 H new ATOM 0 HA ASP A 59 -20.560 6.790 0.301 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -22.971 7.823 -1.257 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -22.940 6.364 -0.288 1.00 0.00 H new ATOM 938 N TRP A 60 -19.544 6.608 -2.375 1.00 0.00 N ATOM 939 CA TRP A 60 -19.224 5.912 -3.609 1.00 0.00 C ATOM 940 C TRP A 60 -17.893 5.175 -3.519 1.00 0.00 C ATOM 941 O TRP A 60 -17.834 3.960 -3.703 1.00 0.00 O ATOM 942 CB TRP A 60 -19.219 6.882 -4.792 1.00 0.00 C ATOM 943 CG TRP A 60 -20.568 7.467 -5.065 1.00 0.00 C ATOM 944 CD1 TRP A 60 -21.634 6.833 -5.630 1.00 0.00 C ATOM 945 CD2 TRP A 60 -20.998 8.802 -4.782 1.00 0.00 C ATOM 946 NE1 TRP A 60 -22.702 7.691 -5.711 1.00 0.00 N ATOM 947 CE2 TRP A 60 -22.337 8.906 -5.197 1.00 0.00 C ATOM 948 CE3 TRP A 60 -20.381 9.919 -4.215 1.00 0.00 C ATOM 949 CZ2 TRP A 60 -23.069 10.080 -5.065 1.00 0.00 C ATOM 950 CZ3 TRP A 60 -21.106 11.087 -4.081 1.00 0.00 C ATOM 951 CH2 TRP A 60 -22.446 11.160 -4.507 1.00 0.00 C ATOM 0 H TRP A 60 -18.803 7.210 -2.014 1.00 0.00 H new ATOM 0 HA TRP A 60 -20.002 5.166 -3.769 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -18.512 7.687 -4.593 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -18.867 6.361 -5.682 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -21.638 5.806 -5.965 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -23.619 7.461 -6.093 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -19.353 9.870 -3.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -24.097 10.137 -5.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -20.638 11.957 -3.643 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -22.990 12.085 -4.391 1.00 0.00 H new ATOM 962 N SER A 61 -16.827 5.909 -3.249 1.00 0.00 N ATOM 963 CA SER A 61 -15.501 5.323 -3.145 1.00 0.00 C ATOM 964 C SER A 61 -14.648 6.113 -2.164 1.00 0.00 C ATOM 965 O SER A 61 -14.516 7.327 -2.292 1.00 0.00 O ATOM 966 CB SER A 61 -14.836 5.276 -4.528 1.00 0.00 C ATOM 967 OG SER A 61 -15.525 4.375 -5.383 1.00 0.00 O ATOM 0 H SER A 61 -16.854 6.917 -3.097 1.00 0.00 H new ATOM 0 HA SER A 61 -15.594 4.304 -2.771 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.831 6.273 -4.969 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.796 4.967 -4.427 1.00 0.00 H new ATOM 0 HG SER A 61 -15.089 4.359 -6.261 1.00 0.00 H new ATOM 973 N PHE A 62 -14.095 5.420 -1.179 1.00 0.00 N ATOM 974 CA PHE A 62 -13.267 6.056 -0.166 1.00 0.00 C ATOM 975 C PHE A 62 -11.804 5.750 -0.430 1.00 0.00 C ATOM 976 O PHE A 62 -11.475 4.789 -1.130 1.00 0.00 O ATOM 977 CB PHE A 62 -13.643 5.560 1.239 1.00 0.00 C ATOM 978 CG PHE A 62 -15.113 5.620 1.580 1.00 0.00 C ATOM 979 CD1 PHE A 62 -15.637 6.694 2.292 1.00 0.00 C ATOM 980 CD2 PHE A 62 -15.962 4.582 1.221 1.00 0.00 C ATOM 981 CE1 PHE A 62 -16.979 6.726 2.634 1.00 0.00 C ATOM 982 CE2 PHE A 62 -17.305 4.615 1.557 1.00 0.00 C ATOM 983 CZ PHE A 62 -17.811 5.687 2.265 1.00 0.00 C ATOM 0 H PHE A 62 -14.206 4.413 -1.060 1.00 0.00 H new ATOM 0 HA PHE A 62 -13.435 7.132 -0.215 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -13.306 4.529 1.343 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -13.094 6.150 1.972 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -14.992 7.510 2.581 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -15.570 3.738 0.673 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -17.375 7.564 3.189 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -17.956 3.804 1.266 1.00 0.00 H new ATOM 0 HZ PHE A 62 -18.858 5.713 2.530 1.00 0.00 H new ATOM 993 N TYR A 63 -10.928 6.569 0.128 1.00 0.00 N ATOM 994 CA TYR A 63 -9.501 6.366 -0.031 1.00 0.00 C ATOM 995 C TYR A 63 -8.875 6.022 1.314 1.00 0.00 C ATOM 996 O TYR A 63 -9.296 6.537 2.347 1.00 0.00 O ATOM 997 CB TYR A 63 -8.840 7.637 -0.599 1.00 0.00 C ATOM 998 CG TYR A 63 -9.414 8.117 -1.916 1.00 0.00 C ATOM 999 CD1 TYR A 63 -8.723 7.933 -3.108 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -10.640 8.766 -1.963 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -9.240 8.383 -4.307 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -11.164 9.215 -3.156 1.00 0.00 C ATOM 1003 CZ TYR A 63 -10.460 9.021 -4.326 1.00 0.00 C ATOM 1004 OH TYR A 63 -10.975 9.476 -5.519 1.00 0.00 O ATOM 0 H TYR A 63 -11.181 7.379 0.694 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.340 5.542 -0.727 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.933 8.437 0.135 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.775 7.448 -0.730 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -7.767 7.430 -3.096 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -11.193 8.922 -1.049 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -8.690 8.235 -5.225 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -12.121 9.716 -3.175 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.843 9.902 -5.359 1.00 0.00 H new ATOM 1014 N LEU A 64 -7.872 5.158 1.294 1.00 0.00 N ATOM 1015 CA LEU A 64 -7.103 4.843 2.487 1.00 0.00 C ATOM 1016 C LEU A 64 -5.651 4.573 2.112 1.00 0.00 C ATOM 1017 O LEU A 64 -5.363 3.825 1.175 1.00 0.00 O ATOM 1018 CB LEU A 64 -7.774 3.674 3.240 1.00 0.00 C ATOM 1019 CG LEU A 64 -6.942 2.956 4.300 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -7.813 2.649 5.509 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.372 1.673 3.718 1.00 0.00 C ATOM 0 H LEU A 64 -7.570 4.659 0.457 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.090 5.691 3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.676 4.055 3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.092 2.936 2.503 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.117 3.596 4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.218 2.136 6.265 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.202 3.579 5.923 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.643 2.011 5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.778 1.162 4.476 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.188 1.025 3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.740 1.911 2.862 1.00 0.00 H new ATOM 1033 N LEU A 65 -4.748 5.220 2.839 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.330 5.208 2.515 1.00 0.00 C ATOM 1035 C LEU A 65 -2.550 4.468 3.592 1.00 0.00 C ATOM 1036 O LEU A 65 -2.760 4.686 4.782 1.00 0.00 O ATOM 1037 CB LEU A 65 -2.818 6.652 2.413 1.00 0.00 C ATOM 1038 CG LEU A 65 -1.701 6.936 1.396 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -1.384 8.427 1.378 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -0.436 6.135 1.688 1.00 0.00 C ATOM 0 H LEU A 65 -4.980 5.767 3.668 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.188 4.698 1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.665 7.293 2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.461 6.953 3.398 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.063 6.624 0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.592 8.622 0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.277 8.985 1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.057 8.741 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.324 6.370 0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.063 6.392 2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.663 5.070 1.651 1.00 0.00 H new ATOM 1052 N TYR A 66 -1.654 3.606 3.166 1.00 0.00 N ATOM 1053 CA TYR A 66 -0.761 2.914 4.079 1.00 0.00 C ATOM 1054 C TYR A 66 0.675 3.082 3.619 1.00 0.00 C ATOM 1055 O TYR A 66 1.042 2.646 2.533 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.121 1.434 4.179 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.086 1.092 5.292 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -3.428 0.846 5.033 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -1.642 0.969 6.604 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -4.293 0.490 6.045 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -2.507 0.623 7.621 1.00 0.00 C ATOM 1062 CZ TYR A 66 -3.828 0.381 7.336 1.00 0.00 C ATOM 1063 OH TYR A 66 -4.686 0.031 8.352 1.00 0.00 O ATOM 0 H TYR A 66 -1.521 3.363 2.184 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.871 3.352 5.071 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.553 1.114 3.231 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.205 0.860 4.321 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.800 0.935 4.023 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.601 1.148 6.831 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.333 0.297 5.826 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.147 0.543 8.636 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.108 -0.828 8.142 1.00 0.00 H new ATOM 1073 N TYR A 67 1.477 3.740 4.435 1.00 0.00 N ATOM 1074 CA TYR A 67 2.861 4.009 4.067 1.00 0.00 C ATOM 1075 C TYR A 67 3.808 3.687 5.208 1.00 0.00 C ATOM 1076 O TYR A 67 3.381 3.469 6.340 1.00 0.00 O ATOM 1077 CB TYR A 67 3.036 5.474 3.632 1.00 0.00 C ATOM 1078 CG TYR A 67 2.725 6.496 4.707 1.00 0.00 C ATOM 1079 CD1 TYR A 67 3.714 6.954 5.571 1.00 0.00 C ATOM 1080 CD2 TYR A 67 1.445 7.016 4.841 1.00 0.00 C ATOM 1081 CE1 TYR A 67 3.433 7.902 6.536 1.00 0.00 C ATOM 1082 CE2 TYR A 67 1.156 7.962 5.804 1.00 0.00 C ATOM 1083 CZ TYR A 67 2.155 8.402 6.648 1.00 0.00 C ATOM 1084 OH TYR A 67 1.871 9.348 7.609 1.00 0.00 O ATOM 0 H TYR A 67 1.201 4.097 5.350 1.00 0.00 H new ATOM 0 HA TYR A 67 3.108 3.361 3.226 1.00 0.00 H new ATOM 0 HB2 TYR A 67 4.063 5.619 3.298 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.392 5.663 2.773 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.717 6.563 5.486 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.662 6.675 4.180 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.212 8.249 7.199 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.154 8.355 5.896 1.00 0.00 H new ATOM 0 HH TYR A 67 2.670 9.888 7.783 1.00 0.00 H new ATOM 1094 N THR A 68 5.092 3.644 4.896 1.00 0.00 N ATOM 1095 CA THR A 68 6.119 3.437 5.902 1.00 0.00 C ATOM 1096 C THR A 68 7.420 4.093 5.459 1.00 0.00 C ATOM 1097 O THR A 68 7.730 4.149 4.263 1.00 0.00 O ATOM 1098 CB THR A 68 6.352 1.931 6.187 1.00 0.00 C ATOM 1099 OG1 THR A 68 7.238 1.771 7.302 1.00 0.00 O ATOM 1100 CG2 THR A 68 6.930 1.210 4.974 1.00 0.00 C ATOM 0 H THR A 68 5.450 3.751 3.947 1.00 0.00 H new ATOM 0 HA THR A 68 5.775 3.898 6.828 1.00 0.00 H new ATOM 0 HB THR A 68 5.383 1.488 6.417 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.253 0.830 7.576 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.079 0.157 5.213 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.239 1.297 4.136 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.886 1.660 4.705 1.00 0.00 H new ATOM 1108 N GLU A 69 8.148 4.629 6.423 1.00 0.00 N ATOM 1109 CA GLU A 69 9.458 5.187 6.175 1.00 0.00 C ATOM 1110 C GLU A 69 10.468 4.050 6.163 1.00 0.00 C ATOM 1111 O GLU A 69 10.556 3.279 7.118 1.00 0.00 O ATOM 1112 CB GLU A 69 9.792 6.208 7.269 1.00 0.00 C ATOM 1113 CG GLU A 69 11.093 6.956 7.056 1.00 0.00 C ATOM 1114 CD GLU A 69 11.395 7.893 8.203 1.00 0.00 C ATOM 1115 OE1 GLU A 69 11.039 9.086 8.116 1.00 0.00 O ATOM 1116 OE2 GLU A 69 11.983 7.438 9.206 1.00 0.00 O ATOM 0 H GLU A 69 7.846 4.688 7.395 1.00 0.00 H new ATOM 0 HA GLU A 69 9.485 5.700 5.213 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.979 6.931 7.334 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.837 5.692 8.228 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.909 6.242 6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.038 7.524 6.127 1.00 0.00 H new ATOM 1123 N PHE A 70 11.230 3.953 5.092 1.00 0.00 N ATOM 1124 CA PHE A 70 12.101 2.806 4.879 1.00 0.00 C ATOM 1125 C PHE A 70 13.398 3.266 4.225 1.00 0.00 C ATOM 1126 O PHE A 70 13.469 4.380 3.707 1.00 0.00 O ATOM 1127 CB PHE A 70 11.398 1.720 4.033 1.00 0.00 C ATOM 1128 CG PHE A 70 11.080 2.105 2.607 1.00 0.00 C ATOM 1129 CD1 PHE A 70 11.111 1.154 1.598 1.00 0.00 C ATOM 1130 CD2 PHE A 70 10.743 3.402 2.277 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.819 1.490 0.289 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.450 3.751 0.969 1.00 0.00 C ATOM 1133 CZ PHE A 70 10.488 2.793 -0.029 1.00 0.00 C ATOM 0 H PHE A 70 11.266 4.654 4.352 1.00 0.00 H new ATOM 0 HA PHE A 70 12.336 2.356 5.844 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.029 0.832 4.018 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.469 1.442 4.531 1.00 0.00 H new ATOM 0 HD1 PHE A 70 11.368 0.133 1.839 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.707 4.156 3.050 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.850 0.736 -0.483 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.192 4.772 0.728 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.260 3.062 -1.050 1.00 0.00 H new ATOM 1143 N THR A 71 14.424 2.439 4.273 1.00 0.00 N ATOM 1144 CA THR A 71 15.676 2.747 3.608 1.00 0.00 C ATOM 1145 C THR A 71 15.996 1.669 2.571 1.00 0.00 C ATOM 1146 O THR A 71 16.642 0.671 2.887 1.00 0.00 O ATOM 1147 CB THR A 71 16.822 2.865 4.633 1.00 0.00 C ATOM 1148 OG1 THR A 71 16.429 3.774 5.673 1.00 0.00 O ATOM 1149 CG2 THR A 71 18.104 3.369 3.980 1.00 0.00 C ATOM 0 H THR A 71 14.416 1.546 4.767 1.00 0.00 H new ATOM 0 HA THR A 71 15.574 3.706 3.100 1.00 0.00 H new ATOM 0 HB THR A 71 17.018 1.875 5.045 1.00 0.00 H new ATOM 0 HG1 THR A 71 17.152 3.853 6.329 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.891 3.440 4.731 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.411 2.675 3.197 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.928 4.352 3.544 1.00 0.00 H new ATOM 1157 N PRO A 72 15.491 1.834 1.327 1.00 0.00 N ATOM 1158 CA PRO A 72 15.734 0.894 0.223 1.00 0.00 C ATOM 1159 C PRO A 72 17.205 0.566 0.046 1.00 0.00 C ATOM 1160 O PRO A 72 18.071 1.427 0.207 1.00 0.00 O ATOM 1161 CB PRO A 72 15.200 1.632 -1.023 1.00 0.00 C ATOM 1162 CG PRO A 72 14.909 3.030 -0.575 1.00 0.00 C ATOM 1163 CD PRO A 72 14.632 2.946 0.897 1.00 0.00 C ATOM 0 HA PRO A 72 15.247 -0.064 0.407 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.936 1.624 -1.827 1.00 0.00 H new ATOM 0 HB3 PRO A 72 14.302 1.150 -1.408 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.755 3.688 -0.775 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.053 3.440 -1.110 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.885 3.874 1.410 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.580 2.746 1.100 1.00 0.00 H new ATOM 1171 N THR A 73 17.471 -0.684 -0.287 1.00 0.00 N ATOM 1172 CA THR A 73 18.822 -1.169 -0.445 1.00 0.00 C ATOM 1173 C THR A 73 18.900 -2.062 -1.670 1.00 0.00 C ATOM 1174 O THR A 73 17.872 -2.373 -2.275 1.00 0.00 O ATOM 1175 CB THR A 73 19.298 -1.981 0.780 1.00 0.00 C ATOM 1176 OG1 THR A 73 18.529 -3.183 0.903 1.00 0.00 O ATOM 1177 CG2 THR A 73 19.175 -1.182 2.064 1.00 0.00 C ATOM 0 H THR A 73 16.753 -1.389 -0.455 1.00 0.00 H new ATOM 0 HA THR A 73 19.467 -0.297 -0.552 1.00 0.00 H new ATOM 0 HB THR A 73 20.349 -2.223 0.622 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.881 -3.722 1.642 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.519 -1.787 2.903 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.784 -0.281 1.992 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.133 -0.904 2.221 1.00 0.00 H new ATOM 1185 N GLU A 74 20.102 -2.450 -2.043 1.00 0.00 N ATOM 1186 CA GLU A 74 20.297 -3.393 -3.130 1.00 0.00 C ATOM 1187 C GLU A 74 19.609 -4.721 -2.815 1.00 0.00 C ATOM 1188 O GLU A 74 18.825 -5.233 -3.611 1.00 0.00 O ATOM 1189 CB GLU A 74 21.804 -3.600 -3.349 1.00 0.00 C ATOM 1190 CG GLU A 74 22.185 -4.346 -4.621 1.00 0.00 C ATOM 1191 CD GLU A 74 22.045 -5.854 -4.506 1.00 0.00 C ATOM 1192 OE1 GLU A 74 22.864 -6.483 -3.792 1.00 0.00 O ATOM 1193 OE2 GLU A 74 21.138 -6.424 -5.142 1.00 0.00 O ATOM 0 H GLU A 74 20.965 -2.126 -1.607 1.00 0.00 H new ATOM 0 HA GLU A 74 19.852 -2.995 -4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 74 22.289 -2.624 -3.362 1.00 0.00 H new ATOM 0 HB3 GLU A 74 22.206 -4.145 -2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 74 21.559 -3.993 -5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 74 23.216 -4.104 -4.880 1.00 0.00 H new ATOM 1200 N LYS A 75 19.878 -5.238 -1.625 1.00 0.00 N ATOM 1201 CA LYS A 75 19.545 -6.607 -1.287 1.00 0.00 C ATOM 1202 C LYS A 75 18.102 -6.800 -0.816 1.00 0.00 C ATOM 1203 O LYS A 75 17.534 -7.875 -1.018 1.00 0.00 O ATOM 1204 CB LYS A 75 20.512 -7.105 -0.214 1.00 0.00 C ATOM 1205 CG LYS A 75 21.971 -7.114 -0.659 1.00 0.00 C ATOM 1206 CD LYS A 75 22.822 -6.173 0.177 1.00 0.00 C ATOM 1207 CE LYS A 75 23.855 -5.444 -0.680 1.00 0.00 C ATOM 1208 NZ LYS A 75 24.558 -6.361 -1.614 1.00 0.00 N ATOM 0 H LYS A 75 20.331 -4.720 -0.872 1.00 0.00 H new ATOM 0 HA LYS A 75 19.640 -7.189 -2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.415 -6.475 0.670 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.225 -8.114 0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.368 -8.126 -0.584 1.00 0.00 H new ATOM 0 HG3 LYS A 75 22.033 -6.825 -1.708 1.00 0.00 H new ATOM 0 HD2 LYS A 75 22.181 -5.445 0.674 1.00 0.00 H new ATOM 0 HD3 LYS A 75 23.329 -6.737 0.959 1.00 0.00 H new ATOM 0 HE2 LYS A 75 23.361 -4.657 -1.250 1.00 0.00 H new ATOM 0 HE3 LYS A 75 24.585 -4.959 -0.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 25.537 -6.036 -1.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 24.564 -7.323 -1.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 24.066 -6.367 -2.530 1.00 0.00 H new ATOM 1222 N ASP A 76 17.494 -5.787 -0.200 1.00 0.00 N ATOM 1223 CA ASP A 76 16.173 -5.982 0.411 1.00 0.00 C ATOM 1224 C ASP A 76 15.050 -5.715 -0.590 1.00 0.00 C ATOM 1225 O ASP A 76 15.307 -5.334 -1.732 1.00 0.00 O ATOM 1226 CB ASP A 76 15.992 -5.086 1.635 1.00 0.00 C ATOM 1227 CG ASP A 76 15.437 -5.845 2.823 1.00 0.00 C ATOM 1228 OD1 ASP A 76 16.134 -5.920 3.858 1.00 0.00 O ATOM 1229 OD2 ASP A 76 14.313 -6.378 2.723 1.00 0.00 O ATOM 0 H ASP A 76 17.879 -4.847 -0.110 1.00 0.00 H new ATOM 0 HA ASP A 76 16.119 -7.024 0.726 1.00 0.00 H new ATOM 0 HB2 ASP A 76 16.951 -4.644 1.904 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.321 -4.264 1.385 1.00 0.00 H new ATOM 1234 N GLU A 77 13.805 -5.909 -0.151 1.00 0.00 N ATOM 1235 CA GLU A 77 12.634 -5.761 -1.015 1.00 0.00 C ATOM 1236 C GLU A 77 11.391 -5.548 -0.160 1.00 0.00 C ATOM 1237 O GLU A 77 11.291 -6.098 0.936 1.00 0.00 O ATOM 1238 CB GLU A 77 12.474 -7.016 -1.894 1.00 0.00 C ATOM 1239 CG GLU A 77 11.102 -7.192 -2.561 1.00 0.00 C ATOM 1240 CD GLU A 77 10.201 -8.137 -1.782 1.00 0.00 C ATOM 1241 OE1 GLU A 77 10.394 -9.365 -1.891 1.00 0.00 O ATOM 1242 OE2 GLU A 77 9.302 -7.661 -1.062 1.00 0.00 O ATOM 0 H GLU A 77 13.581 -6.172 0.809 1.00 0.00 H new ATOM 0 HA GLU A 77 12.767 -4.895 -1.664 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.236 -6.991 -2.673 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.675 -7.894 -1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.616 -6.220 -2.650 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.238 -7.574 -3.573 1.00 0.00 H new ATOM 1249 N TYR A 78 10.457 -4.743 -0.650 1.00 0.00 N ATOM 1250 CA TYR A 78 9.231 -4.487 0.082 1.00 0.00 C ATOM 1251 C TYR A 78 8.021 -4.710 -0.817 1.00 0.00 C ATOM 1252 O TYR A 78 8.098 -4.554 -2.038 1.00 0.00 O ATOM 1253 CB TYR A 78 9.202 -3.061 0.674 1.00 0.00 C ATOM 1254 CG TYR A 78 10.532 -2.542 1.204 1.00 0.00 C ATOM 1255 CD1 TYR A 78 10.733 -2.345 2.567 1.00 0.00 C ATOM 1256 CD2 TYR A 78 11.574 -2.226 0.339 1.00 0.00 C ATOM 1257 CE1 TYR A 78 11.937 -1.856 3.050 1.00 0.00 C ATOM 1258 CE2 TYR A 78 12.780 -1.741 0.814 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.954 -1.558 2.172 1.00 0.00 C ATOM 1260 OH TYR A 78 14.151 -1.077 2.658 1.00 0.00 O ATOM 0 H TYR A 78 10.527 -4.260 -1.546 1.00 0.00 H new ATOM 0 HA TYR A 78 9.193 -5.190 0.914 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.845 -2.375 -0.094 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.474 -3.038 1.485 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.938 -2.577 3.260 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.440 -2.362 -0.724 1.00 0.00 H new ATOM 0 HE1 TYR A 78 12.076 -1.710 4.111 1.00 0.00 H new ATOM 0 HE2 TYR A 78 13.580 -1.507 0.127 1.00 0.00 H new ATOM 0 HH TYR A 78 14.891 -1.595 2.277 1.00 0.00 H new ATOM 1270 N ALA A 79 6.907 -5.070 -0.201 1.00 0.00 N ATOM 1271 CA ALA A 79 5.699 -5.448 -0.947 1.00 0.00 C ATOM 1272 C ALA A 79 4.434 -4.872 -0.303 1.00 0.00 C ATOM 1273 O ALA A 79 4.477 -4.388 0.815 1.00 0.00 O ATOM 1274 CB ALA A 79 5.612 -6.964 -1.062 1.00 0.00 C ATOM 0 H ALA A 79 6.805 -5.111 0.813 1.00 0.00 H new ATOM 0 HA ALA A 79 5.770 -5.023 -1.948 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.714 -7.236 -1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.490 -7.340 -1.587 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.570 -7.403 -0.065 1.00 0.00 H new ATOM 1280 N CYS A 80 3.327 -4.859 -1.036 1.00 0.00 N ATOM 1281 CA CYS A 80 2.038 -4.408 -0.502 1.00 0.00 C ATOM 1282 C CYS A 80 1.033 -5.565 -0.466 1.00 0.00 C ATOM 1283 O CYS A 80 0.902 -6.303 -1.441 1.00 0.00 O ATOM 1284 CB CYS A 80 1.473 -3.280 -1.370 1.00 0.00 C ATOM 1285 SG CYS A 80 1.889 -1.602 -0.801 1.00 0.00 S ATOM 0 H CYS A 80 3.292 -5.158 -2.011 1.00 0.00 H new ATOM 0 HA CYS A 80 2.201 -4.044 0.512 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.840 -3.405 -2.389 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.388 -3.378 -1.408 1.00 0.00 H new ATOM 1290 N ARG A 81 0.338 -5.727 0.657 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.702 -6.753 0.791 1.00 0.00 C ATOM 1292 C ARG A 81 -2.041 -6.113 1.155 1.00 0.00 C ATOM 1293 O ARG A 81 -2.087 -5.244 2.018 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.335 -7.736 1.901 1.00 0.00 C ATOM 1295 CG ARG A 81 -1.024 -9.083 1.793 1.00 0.00 C ATOM 1296 CD ARG A 81 -0.846 -9.913 3.060 1.00 0.00 C ATOM 1297 NE ARG A 81 0.559 -10.120 3.413 1.00 0.00 N ATOM 1298 CZ ARG A 81 1.179 -11.300 3.343 1.00 0.00 C ATOM 1299 NH1 ARG A 81 0.551 -12.365 2.864 1.00 0.00 N ATOM 1300 NH2 ARG A 81 2.432 -11.422 3.755 1.00 0.00 N ATOM 0 H ARG A 81 0.475 -5.159 1.493 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.782 -7.272 -0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.744 -7.891 1.891 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.584 -7.289 2.863 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.087 -8.933 1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.621 -9.630 0.940 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.354 -9.417 3.887 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.328 -10.881 2.925 1.00 0.00 H new ATOM 0 HE ARG A 81 1.097 -9.314 3.732 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.415 -12.287 2.545 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.034 -13.262 2.815 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.927 -10.612 4.128 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.901 -12.326 3.699 1.00 0.00 H new ATOM 1314 N VAL A 82 -3.129 -6.540 0.518 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.457 -6.057 0.919 1.00 0.00 C ATOM 1316 C VAL A 82 -5.440 -7.203 1.074 1.00 0.00 C ATOM 1317 O VAL A 82 -5.355 -8.222 0.385 1.00 0.00 O ATOM 1318 CB VAL A 82 -5.060 -5.005 -0.041 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -3.984 -4.103 -0.573 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -5.843 -5.642 -1.173 1.00 0.00 C ATOM 0 H VAL A 82 -3.125 -7.202 -0.258 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.295 -5.567 1.879 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.767 -4.407 0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.425 -3.369 -1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.498 -3.589 0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.247 -4.696 -1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.247 -4.863 -1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.184 -6.289 -1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.662 -6.232 -0.762 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.344 -7.031 2.018 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.396 -8.006 2.279 1.00 0.00 C ATOM 1332 C ASN A 83 -8.778 -7.402 2.024 1.00 0.00 C ATOM 1333 O ASN A 83 -9.152 -6.425 2.672 1.00 0.00 O ATOM 1334 CB ASN A 83 -7.338 -8.473 3.748 1.00 0.00 C ATOM 1335 CG ASN A 83 -5.978 -9.010 4.176 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -5.757 -10.217 4.221 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -5.052 -8.113 4.483 1.00 0.00 N ATOM 0 H ASN A 83 -6.374 -6.214 2.628 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.236 -8.849 1.607 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.607 -7.638 4.395 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -8.088 -9.249 3.901 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.121 -8.418 4.768 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.270 -7.118 4.435 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.537 -7.969 1.083 1.00 0.00 N ATOM 1345 CA HIS A 84 -10.928 -7.601 0.907 1.00 0.00 C ATOM 1346 C HIS A 84 -11.686 -8.844 0.468 1.00 0.00 C ATOM 1347 O HIS A 84 -11.085 -9.775 -0.071 1.00 0.00 O ATOM 1348 CB HIS A 84 -11.067 -6.499 -0.144 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.339 -5.712 -0.025 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.379 -5.903 -0.901 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.679 -4.744 0.865 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -14.324 -5.053 -0.530 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -13.945 -4.330 0.532 1.00 0.00 N ATOM 0 H HIS A 84 -9.204 -8.684 0.436 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.334 -7.217 1.843 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.220 -5.819 -0.059 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.018 -6.947 -1.137 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -12.072 -4.372 1.677 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.280 -4.955 -1.022 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.492 -3.610 1.003 1.00 0.00 H new ATOM 1361 N VAL A 85 -12.996 -8.858 0.683 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.798 -10.042 0.394 1.00 0.00 C ATOM 1363 C VAL A 85 -13.857 -10.310 -1.105 1.00 0.00 C ATOM 1364 O VAL A 85 -14.105 -11.432 -1.537 1.00 0.00 O ATOM 1365 CB VAL A 85 -15.239 -9.910 0.939 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -15.222 -9.694 2.445 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -15.990 -8.781 0.241 1.00 0.00 C ATOM 0 H VAL A 85 -13.524 -8.068 1.054 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.310 -10.878 0.896 1.00 0.00 H new ATOM 0 HB VAL A 85 -15.766 -10.841 0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -16.245 -9.603 2.811 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.737 -10.542 2.929 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.672 -8.782 2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -17.000 -8.712 0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.467 -7.839 0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -16.040 -8.984 -0.829 1.00 0.00 H new ATOM 1377 N THR A 86 -13.613 -9.270 -1.891 1.00 0.00 N ATOM 1378 CA THR A 86 -13.726 -9.353 -3.332 1.00 0.00 C ATOM 1379 C THR A 86 -12.609 -10.183 -3.932 1.00 0.00 C ATOM 1380 O THR A 86 -12.835 -11.010 -4.817 1.00 0.00 O ATOM 1381 CB THR A 86 -13.652 -7.951 -3.939 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.534 -7.257 -3.380 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.913 -7.156 -3.678 1.00 0.00 C ATOM 0 H THR A 86 -13.333 -8.352 -1.545 1.00 0.00 H new ATOM 0 HA THR A 86 -14.682 -9.825 -3.556 1.00 0.00 H new ATOM 0 HB THR A 86 -13.540 -8.057 -5.018 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.820 -6.764 -2.583 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.819 -6.167 -4.126 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.766 -7.673 -4.117 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.063 -7.055 -2.603 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.401 -9.948 -3.444 1.00 0.00 N ATOM 1392 CA LEU A 87 -10.230 -10.619 -3.970 1.00 0.00 C ATOM 1393 C LEU A 87 -10.302 -12.106 -3.679 1.00 0.00 C ATOM 1394 O LEU A 87 -9.653 -12.905 -4.354 1.00 0.00 O ATOM 1395 CB LEU A 87 -8.947 -10.030 -3.373 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.646 -8.583 -3.769 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -7.274 -8.161 -3.263 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -8.725 -8.420 -5.278 1.00 0.00 C ATOM 0 H LEU A 87 -11.209 -9.296 -2.683 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.208 -10.467 -5.049 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.012 -10.086 -2.286 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.106 -10.654 -3.674 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.395 -7.939 -3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.080 -7.129 -3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.246 -8.242 -2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.512 -8.810 -3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.508 -7.385 -5.544 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.997 -9.077 -5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.727 -8.681 -5.620 1.00 0.00 H new ATOM 1410 N SER A 88 -11.099 -12.445 -2.656 1.00 0.00 N ATOM 1411 CA SER A 88 -11.270 -13.808 -2.131 1.00 0.00 C ATOM 1412 C SER A 88 -9.973 -14.340 -1.525 1.00 0.00 C ATOM 1413 O SER A 88 -9.996 -15.177 -0.620 1.00 0.00 O ATOM 1414 CB SER A 88 -11.836 -14.781 -3.189 1.00 0.00 C ATOM 1415 OG SER A 88 -10.904 -15.084 -4.216 1.00 0.00 O ATOM 0 H SER A 88 -11.660 -11.757 -2.155 1.00 0.00 H new ATOM 0 HA SER A 88 -12.011 -13.745 -1.334 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.142 -15.705 -2.699 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.731 -14.345 -3.634 1.00 0.00 H new ATOM 0 HG SER A 88 -10.175 -14.429 -4.200 1.00 0.00 H new ATOM 1421 N GLN A 89 -8.850 -13.813 -1.993 1.00 0.00 N ATOM 1422 CA GLN A 89 -7.538 -14.188 -1.525 1.00 0.00 C ATOM 1423 C GLN A 89 -6.732 -12.898 -1.446 1.00 0.00 C ATOM 1424 O GLN A 89 -6.604 -12.211 -2.460 1.00 0.00 O ATOM 1425 CB GLN A 89 -6.850 -15.141 -2.517 1.00 0.00 C ATOM 1426 CG GLN A 89 -7.772 -16.169 -3.158 1.00 0.00 C ATOM 1427 CD GLN A 89 -8.314 -17.180 -2.171 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -7.669 -17.506 -1.179 1.00 0.00 O ATOM 1429 NE2 GLN A 89 -9.505 -17.689 -2.439 1.00 0.00 N ATOM 0 H GLN A 89 -8.833 -13.100 -2.722 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.608 -14.698 -0.564 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.385 -14.549 -3.305 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.048 -15.666 -1.998 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.606 -15.653 -3.635 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.230 -16.693 -3.945 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.010 -17.392 -3.274 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.918 -18.378 -1.811 1.00 0.00 H new ATOM 1438 N PRO A 90 -6.237 -12.509 -0.258 1.00 0.00 N ATOM 1439 CA PRO A 90 -5.438 -11.280 -0.099 1.00 0.00 C ATOM 1440 C PRO A 90 -4.361 -11.131 -1.165 1.00 0.00 C ATOM 1441 O PRO A 90 -3.778 -12.115 -1.625 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.816 -11.465 1.271 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.863 -12.202 2.023 1.00 0.00 C ATOM 1444 CD PRO A 90 -6.421 -13.204 1.037 1.00 0.00 C ATOM 0 HA PRO A 90 -6.043 -10.379 -0.200 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.886 -12.030 1.218 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.582 -10.509 1.739 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.444 -12.700 2.897 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.640 -11.527 2.382 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.882 -14.151 1.070 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.470 -13.427 1.233 1.00 0.00 H new ATOM 1452 N LYS A 91 -4.073 -9.890 -1.516 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.275 -9.598 -2.678 1.00 0.00 C ATOM 1454 C LYS A 91 -1.912 -9.058 -2.296 1.00 0.00 C ATOM 1455 O LYS A 91 -1.811 -8.160 -1.466 1.00 0.00 O ATOM 1456 CB LYS A 91 -3.984 -8.572 -3.532 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.445 -8.551 -4.930 1.00 0.00 C ATOM 1458 CD LYS A 91 -3.612 -9.926 -5.535 1.00 0.00 C ATOM 1459 CE LYS A 91 -4.216 -9.862 -6.922 1.00 0.00 C ATOM 1460 NZ LYS A 91 -3.317 -9.198 -7.899 1.00 0.00 N ATOM 0 H LYS A 91 -4.387 -9.066 -1.003 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.137 -10.528 -3.230 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.051 -8.793 -3.556 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.873 -7.585 -3.084 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.974 -7.809 -5.528 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.393 -8.266 -4.925 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.642 -10.422 -5.584 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.248 -10.532 -4.890 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.439 -10.872 -7.265 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.163 -9.324 -6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.774 -9.178 -8.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.124 -8.225 -7.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.423 -9.725 -7.962 1.00 0.00 H new ATOM 1474 N ILE A 92 -0.872 -9.604 -2.902 1.00 0.00 N ATOM 1475 CA ILE A 92 0.476 -9.090 -2.714 1.00 0.00 C ATOM 1476 C ILE A 92 1.017 -8.537 -4.020 1.00 0.00 C ATOM 1477 O ILE A 92 0.950 -9.189 -5.063 1.00 0.00 O ATOM 1478 CB ILE A 92 1.481 -10.156 -2.207 1.00 0.00 C ATOM 1479 CG1 ILE A 92 1.090 -10.701 -0.827 1.00 0.00 C ATOM 1480 CG2 ILE A 92 2.892 -9.578 -2.165 1.00 0.00 C ATOM 1481 CD1 ILE A 92 0.005 -11.756 -0.860 1.00 0.00 C ATOM 0 H ILE A 92 -0.934 -10.405 -3.530 1.00 0.00 H new ATOM 0 HA ILE A 92 0.386 -8.314 -1.954 1.00 0.00 H new ATOM 0 HB ILE A 92 1.455 -10.989 -2.910 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.976 -11.122 -0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.756 -9.872 -0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.586 -10.338 -1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.185 -9.261 -3.166 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.914 -8.721 -1.492 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.211 -12.087 0.156 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.897 -11.336 -1.305 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.341 -12.605 -1.455 1.00 0.00 H new ATOM 1493 N VAL A 93 1.536 -7.328 -3.952 1.00 0.00 N ATOM 1494 CA VAL A 93 2.231 -6.722 -5.068 1.00 0.00 C ATOM 1495 C VAL A 93 3.562 -6.165 -4.585 1.00 0.00 C ATOM 1496 O VAL A 93 3.618 -5.437 -3.596 1.00 0.00 O ATOM 1497 CB VAL A 93 1.397 -5.602 -5.728 1.00 0.00 C ATOM 1498 CG1 VAL A 93 2.171 -4.942 -6.859 1.00 0.00 C ATOM 1499 CG2 VAL A 93 0.078 -6.156 -6.246 1.00 0.00 C ATOM 0 H VAL A 93 1.488 -6.738 -3.121 1.00 0.00 H new ATOM 0 HA VAL A 93 2.397 -7.490 -5.823 1.00 0.00 H new ATOM 0 HB VAL A 93 1.187 -4.846 -4.971 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.562 -4.157 -7.307 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.090 -4.508 -6.466 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.416 -5.687 -7.616 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.497 -5.354 -6.708 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.275 -6.933 -6.985 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.490 -6.579 -5.417 1.00 0.00 H new ATOM 1509 N LYS A 94 4.621 -6.520 -5.281 1.00 0.00 N ATOM 1510 CA LYS A 94 5.954 -6.095 -4.901 1.00 0.00 C ATOM 1511 C LYS A 94 6.253 -4.699 -5.424 1.00 0.00 C ATOM 1512 O LYS A 94 5.814 -4.314 -6.511 1.00 0.00 O ATOM 1513 CB LYS A 94 6.996 -7.062 -5.413 1.00 0.00 C ATOM 1514 CG LYS A 94 7.087 -8.355 -4.636 1.00 0.00 C ATOM 1515 CD LYS A 94 8.135 -9.245 -5.261 1.00 0.00 C ATOM 1516 CE LYS A 94 8.826 -10.146 -4.252 1.00 0.00 C ATOM 1517 NZ LYS A 94 7.902 -10.668 -3.214 1.00 0.00 N ATOM 0 H LYS A 94 4.586 -7.104 -6.116 1.00 0.00 H new ATOM 0 HA LYS A 94 5.992 -6.078 -3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.777 -7.294 -6.455 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.969 -6.572 -5.393 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.342 -8.150 -3.596 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.121 -8.859 -4.634 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.669 -9.861 -6.031 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.881 -8.625 -5.757 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.286 -10.984 -4.776 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.631 -9.592 -3.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.302 -11.532 -2.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.774 -9.951 -2.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 6.982 -10.887 -3.647 1.00 0.00 H new ATOM 1531 N TRP A 95 6.995 -3.947 -4.633 1.00 0.00 N ATOM 1532 CA TRP A 95 7.344 -2.578 -4.972 1.00 0.00 C ATOM 1533 C TRP A 95 8.518 -2.533 -5.942 1.00 0.00 C ATOM 1534 O TRP A 95 9.459 -3.320 -5.840 1.00 0.00 O ATOM 1535 CB TRP A 95 7.692 -1.790 -3.694 1.00 0.00 C ATOM 1536 CG TRP A 95 8.112 -0.374 -3.949 1.00 0.00 C ATOM 1537 CD1 TRP A 95 7.307 0.668 -4.303 1.00 0.00 C ATOM 1538 CD2 TRP A 95 9.440 0.153 -3.863 1.00 0.00 C ATOM 1539 NE1 TRP A 95 8.054 1.811 -4.447 1.00 0.00 N ATOM 1540 CE2 TRP A 95 9.366 1.521 -4.183 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.684 -0.399 -3.549 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 10.489 2.344 -4.196 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.800 0.416 -3.562 1.00 0.00 C ATOM 1544 CH2 TRP A 95 11.695 1.780 -3.885 1.00 0.00 C ATOM 0 H TRP A 95 7.372 -4.265 -3.740 1.00 0.00 H new ATOM 0 HA TRP A 95 6.482 -2.120 -5.457 1.00 0.00 H new ATOM 0 HB2 TRP A 95 6.825 -1.788 -3.033 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.494 -2.307 -3.167 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.239 0.604 -4.449 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.691 2.728 -4.708 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.772 -1.446 -3.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 10.410 3.392 -4.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.767 -0.001 -3.321 1.00 0.00 H new ATOM 0 HH2 TRP A 95 12.584 2.394 -3.888 1.00 0.00 H new ATOM 1555 N ASP A 96 8.438 -1.605 -6.880 1.00 0.00 N ATOM 1556 CA ASP A 96 9.566 -1.282 -7.752 1.00 0.00 C ATOM 1557 C ASP A 96 9.493 0.176 -8.122 1.00 0.00 C ATOM 1558 O ASP A 96 8.474 0.838 -7.908 1.00 0.00 O ATOM 1559 CB ASP A 96 9.625 -2.122 -9.031 1.00 0.00 C ATOM 1560 CG ASP A 96 11.054 -2.407 -9.439 1.00 0.00 C ATOM 1561 OD1 ASP A 96 11.501 -3.559 -9.293 1.00 0.00 O ATOM 1562 OD2 ASP A 96 11.730 -1.466 -9.918 1.00 0.00 O ATOM 0 H ASP A 96 7.598 -1.055 -7.062 1.00 0.00 H new ATOM 0 HA ASP A 96 10.472 -1.512 -7.191 1.00 0.00 H new ATOM 0 HB2 ASP A 96 9.095 -3.062 -8.876 1.00 0.00 H new ATOM 0 HB3 ASP A 96 9.113 -1.597 -9.837 1.00 0.00 H new ATOM 1567 N ARG A 97 10.577 0.671 -8.667 1.00 0.00 N ATOM 1568 CA ARG A 97 10.699 2.073 -8.975 1.00 0.00 C ATOM 1569 C ARG A 97 10.585 2.310 -10.468 1.00 0.00 C ATOM 1570 O ARG A 97 10.105 3.354 -10.905 1.00 0.00 O ATOM 1571 CB ARG A 97 12.045 2.578 -8.451 1.00 0.00 C ATOM 1572 CG ARG A 97 13.258 1.994 -9.166 1.00 0.00 C ATOM 1573 CD ARG A 97 14.074 3.072 -9.857 1.00 0.00 C ATOM 1574 NE ARG A 97 14.564 4.074 -8.916 1.00 0.00 N ATOM 1575 CZ ARG A 97 14.431 5.386 -9.096 1.00 0.00 C ATOM 1576 NH1 ARG A 97 13.838 5.857 -10.189 1.00 0.00 N ATOM 1577 NH2 ARG A 97 14.894 6.229 -8.184 1.00 0.00 N ATOM 0 H ARG A 97 11.397 0.114 -8.909 1.00 0.00 H new ATOM 0 HA ARG A 97 9.889 2.621 -8.493 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.072 3.664 -8.542 1.00 0.00 H new ATOM 0 HB3 ARG A 97 12.118 2.346 -7.389 1.00 0.00 H new ATOM 0 HG2 ARG A 97 13.885 1.467 -8.447 1.00 0.00 H new ATOM 0 HG3 ARG A 97 12.929 1.259 -9.901 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.919 2.614 -10.371 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.463 3.557 -10.618 1.00 0.00 H new ATOM 0 HE ARG A 97 15.036 3.750 -8.072 1.00 0.00 H new ATOM 0 HH11 ARG A 97 13.482 5.212 -10.895 1.00 0.00 H new ATOM 0 HH12 ARG A 97 13.739 6.863 -10.322 1.00 0.00 H new ATOM 0 HH21 ARG A 97 15.352 5.872 -7.345 1.00 0.00 H new ATOM 0 HH22 ARG A 97 14.793 7.235 -8.321 1.00 0.00 H new ATOM 1591 N ASP A 98 11.003 1.321 -11.239 1.00 0.00 N ATOM 1592 CA ASP A 98 11.114 1.472 -12.689 1.00 0.00 C ATOM 1593 C ASP A 98 11.152 0.125 -13.372 1.00 0.00 C ATOM 1594 O ASP A 98 10.981 0.043 -14.588 1.00 0.00 O ATOM 1595 CB ASP A 98 12.386 2.237 -13.059 1.00 0.00 C ATOM 1596 CG ASP A 98 12.197 3.740 -13.105 1.00 0.00 C ATOM 1597 OD1 ASP A 98 12.652 4.435 -12.174 1.00 0.00 O ATOM 1598 OD2 ASP A 98 11.608 4.236 -14.087 1.00 0.00 O ATOM 0 H ASP A 98 11.273 0.402 -10.889 1.00 0.00 H new ATOM 0 HA ASP A 98 10.238 2.027 -13.023 1.00 0.00 H new ATOM 0 HB2 ASP A 98 13.166 1.999 -12.336 1.00 0.00 H new ATOM 0 HB3 ASP A 98 12.737 1.893 -14.032 1.00 0.00 H new ATOM 1603 N MET A 99 11.337 -0.924 -12.574 1.00 0.00 N ATOM 1604 CA MET A 99 11.507 -2.282 -13.088 1.00 0.00 C ATOM 1605 C MET A 99 12.420 -2.320 -14.312 1.00 0.00 C ATOM 1606 CB MET A 99 10.135 -2.842 -13.420 1.00 0.00 C ATOM 1607 CG MET A 99 9.170 -2.656 -12.273 1.00 0.00 C ATOM 1608 SD MET A 99 7.450 -2.860 -12.764 1.00 0.00 S ATOM 1609 CE MET A 99 7.470 -4.555 -13.350 1.00 0.00 C ATOM 0 H MET A 99 11.373 -0.858 -11.557 1.00 0.00 H new ATOM 0 HA MET A 99 11.989 -2.893 -12.325 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.744 -2.348 -14.310 1.00 0.00 H new ATOM 0 HB3 MET A 99 10.221 -3.903 -13.656 1.00 0.00 H new ATOM 0 HG2 MET A 99 9.406 -3.373 -11.487 1.00 0.00 H new ATOM 0 HG3 MET A 99 9.306 -1.661 -11.848 1.00 0.00 H new ATOM 0 HE1 MET A 99 6.449 -4.886 -13.540 1.00 0.00 H new ATOM 0 HE2 MET A 99 8.048 -4.614 -14.272 1.00 0.00 H new ATOM 0 HE3 MET A 99 7.925 -5.196 -12.595 1.00 0.00 H new TER 1619 MET A 99