USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 731 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 79 THR OG1 : rot 150:sc= 1.35 USER MOD Set 1.2: A 82 GLN : amide:sc= 0.758 K(o=2.1,f=-0.48) USER MOD Set 2.1: A 37 MET CE :methyl 149:sc= -3.3! (180deg=-4.08!) USER MOD Set 2.2: A 80 GLN : amide:sc= -0.62 K(o=-3.9,f=-9.5!) USER MOD Set 3.1: A 35 SER OG : rot 162:sc= 1.34 USER MOD Set 3.2: A 83 ASN : amide:sc= 1.35 K(o=2.7,f=-6!) USER MOD Set 4.1: A 18 THR OG1 : rot 118:sc= 0.381 USER MOD Set 4.2: A 38 HIS : no HD1:sc= 0.189 K(o=0.57,f=-2) USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0822 (180deg=-0.508) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.47 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.199 USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 7 ASN : amide:sc= -0.0402 X(o=-0.04,f=-0.22) USER MOD Single : A 9 HIS : no HD1:sc= -0.94 K(o=-0.94,f=-0.12) USER MOD Single : A 34 SER OG : rot 20:sc= 0.371 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot -96:sc= 1.09 USER MOD Single : A 47 SER OG : rot 35:sc= 1.05 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 179:sc= 2.15 (180deg=2.15) USER MOD Single : A 60 ASN : amide:sc= 0.328 X(o=0.33,f=-0.13) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -87:sc= 1.87 USER MOD Single : A 66 SER OG : rot 180:sc= 0.00149 USER MOD Single : A 73 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0306) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 76 GLN : amide:sc= 0.98 K(o=0.98,f=-5.7!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.978 -2.047 -2.455 1.00 0.00 N ATOM 2 CA MET A 1 -12.035 -3.117 -2.064 1.00 0.00 C ATOM 3 C MET A 1 -11.058 -3.387 -3.195 1.00 0.00 C ATOM 4 O MET A 1 -11.348 -3.111 -4.360 1.00 0.00 O ATOM 5 CB MET A 1 -12.782 -4.407 -1.708 1.00 0.00 C ATOM 6 CG MET A 1 -13.438 -5.083 -2.899 1.00 0.00 C ATOM 7 SD MET A 1 -14.164 -6.681 -2.483 1.00 0.00 S ATOM 8 CE MET A 1 -15.378 -6.193 -1.262 1.00 0.00 C ATOM 0 H1 MET A 1 -12.856 -1.229 -1.824 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.788 -1.759 -3.436 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.954 -2.400 -2.380 1.00 0.00 H new ATOM 0 HA MET A 1 -11.488 -2.781 -1.183 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.084 -5.104 -1.245 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.546 -4.180 -0.964 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.213 -4.430 -3.300 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.697 -5.220 -3.687 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.104 -6.996 -1.129 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.880 -5.994 -0.313 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.891 -5.292 -1.599 1.00 0.00 H new ATOM 20 N LEU A 2 -9.907 -3.938 -2.854 1.00 0.00 N ATOM 21 CA LEU A 2 -8.907 -4.265 -3.851 1.00 0.00 C ATOM 22 C LEU A 2 -9.184 -5.647 -4.423 1.00 0.00 C ATOM 23 O LEU A 2 -8.815 -6.667 -3.841 1.00 0.00 O ATOM 24 CB LEU A 2 -7.496 -4.195 -3.258 1.00 0.00 C ATOM 25 CG LEU A 2 -6.357 -4.403 -4.261 1.00 0.00 C ATOM 26 CD1 LEU A 2 -6.418 -3.361 -5.367 1.00 0.00 C ATOM 27 CD2 LEU A 2 -5.011 -4.349 -3.555 1.00 0.00 C ATOM 0 H LEU A 2 -9.643 -4.168 -1.896 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.963 -3.532 -4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.367 -3.223 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.411 -4.948 -2.474 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.474 -5.389 -4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.600 -3.527 -6.069 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.369 -3.443 -5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -6.328 -2.365 -4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.213 -4.499 -4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -4.889 -3.377 -3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -4.965 -5.133 -2.799 1.00 0.00 H new ATOM 39 N VAL A 3 -9.896 -5.667 -5.536 1.00 0.00 N ATOM 40 CA VAL A 3 -10.195 -6.911 -6.232 1.00 0.00 C ATOM 41 C VAL A 3 -9.004 -7.345 -7.081 1.00 0.00 C ATOM 42 O VAL A 3 -8.642 -6.675 -8.051 1.00 0.00 O ATOM 43 CB VAL A 3 -11.441 -6.768 -7.136 1.00 0.00 C ATOM 44 CG1 VAL A 3 -11.759 -8.085 -7.833 1.00 0.00 C ATOM 45 CG2 VAL A 3 -12.637 -6.286 -6.327 1.00 0.00 C ATOM 0 H VAL A 3 -10.280 -4.833 -5.981 1.00 0.00 H new ATOM 0 HA VAL A 3 -10.401 -7.667 -5.474 1.00 0.00 H new ATOM 0 HB VAL A 3 -11.222 -6.024 -7.902 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -12.639 -7.960 -8.463 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -10.911 -8.385 -8.449 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -11.954 -8.854 -7.086 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -13.504 -6.191 -6.981 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -12.855 -7.004 -5.537 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -12.410 -5.317 -5.884 1.00 0.00 H new ATOM 55 N ILE A 4 -8.390 -8.455 -6.705 1.00 0.00 N ATOM 56 CA ILE A 4 -7.254 -8.974 -7.448 1.00 0.00 C ATOM 57 C ILE A 4 -7.678 -10.165 -8.300 1.00 0.00 C ATOM 58 O ILE A 4 -7.247 -10.316 -9.443 1.00 0.00 O ATOM 59 CB ILE A 4 -6.106 -9.391 -6.500 1.00 0.00 C ATOM 60 CG1 ILE A 4 -5.683 -8.208 -5.621 1.00 0.00 C ATOM 61 CG2 ILE A 4 -4.918 -9.919 -7.297 1.00 0.00 C ATOM 62 CD1 ILE A 4 -4.603 -8.555 -4.615 1.00 0.00 C ATOM 0 H ILE A 4 -8.658 -9.012 -5.893 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.890 -8.178 -8.097 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.466 -10.191 -5.853 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.326 -7.400 -6.260 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -6.556 -7.831 -5.089 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.120 -10.207 -6.613 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.228 -10.787 -7.880 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.556 -9.141 -7.969 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.354 -7.670 -4.029 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.963 -9.341 -3.951 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.714 -8.903 -5.141 1.00 0.00 H new ATOM 74 N SER A 5 -8.536 -11.004 -7.735 1.00 0.00 N ATOM 75 CA SER A 5 -9.040 -12.180 -8.429 1.00 0.00 C ATOM 76 C SER A 5 -10.367 -12.607 -7.813 1.00 0.00 C ATOM 77 O SER A 5 -10.955 -11.862 -7.028 1.00 0.00 O ATOM 78 CB SER A 5 -8.016 -13.317 -8.348 1.00 0.00 C ATOM 79 OG SER A 5 -6.798 -12.946 -8.969 1.00 0.00 O ATOM 0 H SER A 5 -8.900 -10.889 -6.789 1.00 0.00 H new ATOM 0 HA SER A 5 -9.202 -11.939 -9.480 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.833 -13.574 -7.304 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.418 -14.208 -8.830 1.00 0.00 H new ATOM 0 HG SER A 5 -6.159 -13.686 -8.904 1.00 0.00 H new ATOM 85 N ASN A 6 -10.838 -13.799 -8.160 1.00 0.00 N ATOM 86 CA ASN A 6 -12.097 -14.307 -7.623 1.00 0.00 C ATOM 87 C ASN A 6 -11.969 -14.607 -6.139 1.00 0.00 C ATOM 88 O ASN A 6 -12.758 -14.125 -5.331 1.00 0.00 O ATOM 89 CB ASN A 6 -12.543 -15.577 -8.353 1.00 0.00 C ATOM 90 CG ASN A 6 -13.158 -15.294 -9.705 1.00 0.00 C ATOM 91 OD1 ASN A 6 -12.772 -14.352 -10.398 1.00 0.00 O ATOM 92 ND2 ASN A 6 -14.129 -16.107 -10.087 1.00 0.00 N ATOM 0 H ASN A 6 -10.369 -14.431 -8.809 1.00 0.00 H new ATOM 0 HA ASN A 6 -12.847 -13.530 -7.774 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -11.685 -16.237 -8.481 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -13.266 -16.110 -7.735 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -14.588 -15.965 -10.987 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -14.418 -16.876 -9.482 1.00 0.00 H new ATOM 99 N ASN A 7 -10.961 -15.387 -5.786 1.00 0.00 N ATOM 100 CA ASN A 7 -10.799 -15.848 -4.410 1.00 0.00 C ATOM 101 C ASN A 7 -9.991 -14.848 -3.589 1.00 0.00 C ATOM 102 O ASN A 7 -9.770 -15.033 -2.394 1.00 0.00 O ATOM 103 CB ASN A 7 -10.129 -17.227 -4.397 1.00 0.00 C ATOM 104 CG ASN A 7 -10.253 -17.942 -3.063 1.00 0.00 C ATOM 105 OD1 ASN A 7 -9.396 -17.814 -2.189 1.00 0.00 O ATOM 106 ND2 ASN A 7 -11.318 -18.710 -2.901 1.00 0.00 N ATOM 0 H ASN A 7 -10.241 -15.716 -6.430 1.00 0.00 H new ATOM 0 HA ASN A 7 -11.786 -15.931 -3.954 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -10.573 -17.846 -5.176 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -9.073 -17.113 -4.644 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -11.450 -19.221 -2.028 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -12.007 -18.791 -3.649 1.00 0.00 H new ATOM 113 N VAL A 8 -9.579 -13.763 -4.227 1.00 0.00 N ATOM 114 CA VAL A 8 -8.768 -12.768 -3.553 1.00 0.00 C ATOM 115 C VAL A 8 -9.416 -11.393 -3.641 1.00 0.00 C ATOM 116 O VAL A 8 -9.557 -10.818 -4.724 1.00 0.00 O ATOM 117 CB VAL A 8 -7.343 -12.695 -4.149 1.00 0.00 C ATOM 118 CG1 VAL A 8 -6.488 -11.703 -3.376 1.00 0.00 C ATOM 119 CG2 VAL A 8 -6.685 -14.067 -4.163 1.00 0.00 C ATOM 0 H VAL A 8 -9.792 -13.552 -5.202 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.695 -13.072 -2.509 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.428 -12.350 -5.179 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.489 -11.667 -3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.942 -10.714 -3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.419 -12.017 -2.334 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.684 -13.986 -4.587 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.618 -14.449 -3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.281 -14.750 -4.768 1.00 0.00 H new ATOM 129 N HIS A 9 -9.775 -10.869 -2.488 1.00 0.00 N ATOM 130 CA HIS A 9 -10.311 -9.522 -2.366 1.00 0.00 C ATOM 131 C HIS A 9 -9.716 -8.885 -1.125 1.00 0.00 C ATOM 132 O HIS A 9 -9.521 -9.565 -0.120 1.00 0.00 O ATOM 133 CB HIS A 9 -11.844 -9.522 -2.239 1.00 0.00 C ATOM 134 CG HIS A 9 -12.588 -10.104 -3.406 1.00 0.00 C ATOM 135 ND1 HIS A 9 -13.613 -11.008 -3.257 1.00 0.00 N ATOM 136 CD2 HIS A 9 -12.477 -9.883 -4.739 1.00 0.00 C ATOM 137 CE1 HIS A 9 -14.102 -11.323 -4.439 1.00 0.00 C ATOM 138 NE2 HIS A 9 -13.432 -10.653 -5.358 1.00 0.00 N ATOM 0 H HIS A 9 -9.704 -11.366 -1.600 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.051 -8.965 -3.266 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -12.117 -10.078 -1.342 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.179 -8.495 -2.092 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -11.771 -9.225 -5.223 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -14.913 -12.012 -4.624 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -13.596 -10.699 -6.364 1.00 0.00 H new ATOM 147 N LEU A 10 -9.409 -7.604 -1.186 1.00 0.00 N ATOM 148 CA LEU A 10 -8.879 -6.910 -0.031 1.00 0.00 C ATOM 149 C LEU A 10 -9.829 -5.808 0.399 1.00 0.00 C ATOM 150 O LEU A 10 -9.926 -4.769 -0.255 1.00 0.00 O ATOM 151 CB LEU A 10 -7.493 -6.347 -0.335 1.00 0.00 C ATOM 152 CG LEU A 10 -6.404 -7.403 -0.526 1.00 0.00 C ATOM 153 CD1 LEU A 10 -5.072 -6.748 -0.841 1.00 0.00 C ATOM 154 CD2 LEU A 10 -6.291 -8.275 0.713 1.00 0.00 C ATOM 0 H LEU A 10 -9.517 -7.026 -2.019 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.782 -7.619 0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.553 -5.738 -1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.199 -5.684 0.478 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.680 -8.035 -1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.311 -7.517 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.161 -6.164 -1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.786 -6.092 -0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.512 -9.022 0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.038 -7.655 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.243 -8.775 0.894 1.00 0.00 H new ATOM 166 N PRO A 11 -10.572 -6.051 1.485 1.00 0.00 N ATOM 167 CA PRO A 11 -11.563 -5.110 2.006 1.00 0.00 C ATOM 168 C PRO A 11 -10.951 -3.769 2.391 1.00 0.00 C ATOM 169 O PRO A 11 -9.843 -3.709 2.930 1.00 0.00 O ATOM 170 CB PRO A 11 -12.121 -5.816 3.247 1.00 0.00 C ATOM 171 CG PRO A 11 -11.792 -7.255 3.055 1.00 0.00 C ATOM 172 CD PRO A 11 -10.497 -7.275 2.302 1.00 0.00 C ATOM 0 HA PRO A 11 -12.320 -4.873 1.259 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.669 -5.426 4.159 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.197 -5.666 3.336 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.696 -7.766 4.013 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.577 -7.766 2.498 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.639 -7.260 2.974 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.403 -8.168 1.684 1.00 0.00 H new ATOM 180 N ASP A 12 -11.693 -2.703 2.116 1.00 0.00 N ATOM 181 CA ASP A 12 -11.276 -1.345 2.434 1.00 0.00 C ATOM 182 C ASP A 12 -10.874 -1.225 3.899 1.00 0.00 C ATOM 183 O ASP A 12 -9.900 -0.557 4.241 1.00 0.00 O ATOM 184 CB ASP A 12 -12.422 -0.371 2.162 1.00 0.00 C ATOM 185 CG ASP A 12 -12.883 -0.350 0.719 1.00 0.00 C ATOM 186 OD1 ASP A 12 -12.034 -0.292 -0.191 1.00 0.00 O ATOM 187 OD2 ASP A 12 -14.111 -0.385 0.488 1.00 0.00 O ATOM 0 H ASP A 12 -12.606 -2.758 1.664 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.418 -1.104 1.806 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -13.267 -0.633 2.799 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.107 0.633 2.447 1.00 0.00 H new ATOM 192 N ALA A 13 -11.645 -1.888 4.749 1.00 0.00 N ATOM 193 CA ALA A 13 -11.457 -1.825 6.196 1.00 0.00 C ATOM 194 C ALA A 13 -10.082 -2.327 6.632 1.00 0.00 C ATOM 195 O ALA A 13 -9.569 -1.914 7.671 1.00 0.00 O ATOM 196 CB ALA A 13 -12.550 -2.618 6.896 1.00 0.00 C ATOM 0 H ALA A 13 -12.419 -2.485 4.458 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.519 -0.776 6.484 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.403 -2.566 7.975 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.523 -2.198 6.642 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.508 -3.658 6.574 1.00 0.00 H new ATOM 202 N GLU A 14 -9.472 -3.204 5.837 1.00 0.00 N ATOM 203 CA GLU A 14 -8.186 -3.789 6.207 1.00 0.00 C ATOM 204 C GLU A 14 -7.034 -2.881 5.799 1.00 0.00 C ATOM 205 O GLU A 14 -5.864 -3.207 6.008 1.00 0.00 O ATOM 206 CB GLU A 14 -8.012 -5.175 5.581 1.00 0.00 C ATOM 207 CG GLU A 14 -9.128 -6.145 5.935 1.00 0.00 C ATOM 208 CD GLU A 14 -8.786 -7.586 5.611 1.00 0.00 C ATOM 209 OE1 GLU A 14 -8.175 -7.846 4.555 1.00 0.00 O ATOM 210 OE2 GLU A 14 -9.143 -8.475 6.411 1.00 0.00 O ATOM 0 H GLU A 14 -9.843 -3.522 4.942 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.174 -3.896 7.292 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.962 -5.072 4.497 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.060 -5.595 5.906 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.351 -6.061 6.999 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.032 -5.862 5.396 1.00 0.00 H new ATOM 217 N ILE A 15 -7.367 -1.737 5.236 1.00 0.00 N ATOM 218 CA ILE A 15 -6.368 -0.767 4.819 1.00 0.00 C ATOM 219 C ILE A 15 -6.588 0.552 5.557 1.00 0.00 C ATOM 220 O ILE A 15 -7.721 1.009 5.711 1.00 0.00 O ATOM 221 CB ILE A 15 -6.417 -0.525 3.294 1.00 0.00 C ATOM 222 CG1 ILE A 15 -6.329 -1.860 2.541 1.00 0.00 C ATOM 223 CG2 ILE A 15 -5.285 0.400 2.860 1.00 0.00 C ATOM 224 CD1 ILE A 15 -6.472 -1.731 1.041 1.00 0.00 C ATOM 0 H ILE A 15 -8.330 -1.452 5.055 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.385 -1.169 5.066 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.366 -0.046 3.052 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.371 -2.329 2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.106 -2.527 2.914 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.337 0.558 1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.381 1.357 3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.327 -0.053 3.114 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.399 -2.717 0.582 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.441 -1.292 0.804 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.679 -1.091 0.654 1.00 0.00 H new ATOM 236 N GLU A 16 -5.511 1.146 6.039 1.00 0.00 N ATOM 237 CA GLU A 16 -5.588 2.414 6.752 1.00 0.00 C ATOM 238 C GLU A 16 -5.185 3.560 5.832 1.00 0.00 C ATOM 239 O GLU A 16 -4.013 3.695 5.467 1.00 0.00 O ATOM 240 CB GLU A 16 -4.690 2.364 7.996 1.00 0.00 C ATOM 241 CG GLU A 16 -4.467 3.707 8.683 1.00 0.00 C ATOM 242 CD GLU A 16 -5.747 4.361 9.163 1.00 0.00 C ATOM 243 OE1 GLU A 16 -6.295 3.925 10.196 1.00 0.00 O ATOM 244 OE2 GLU A 16 -6.197 5.329 8.520 1.00 0.00 O ATOM 0 H GLU A 16 -4.567 0.770 5.950 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.615 2.586 7.074 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.129 1.673 8.716 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.721 1.953 7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.800 3.565 9.533 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.962 4.381 7.991 1.00 0.00 H new ATOM 251 N LEU A 17 -6.164 4.372 5.441 1.00 0.00 N ATOM 252 CA LEU A 17 -5.909 5.510 4.575 1.00 0.00 C ATOM 253 C LEU A 17 -5.925 6.800 5.385 1.00 0.00 C ATOM 254 O LEU A 17 -6.982 7.273 5.806 1.00 0.00 O ATOM 255 CB LEU A 17 -6.952 5.595 3.450 1.00 0.00 C ATOM 256 CG LEU A 17 -6.922 4.471 2.406 1.00 0.00 C ATOM 257 CD1 LEU A 17 -7.581 3.207 2.937 1.00 0.00 C ATOM 258 CD2 LEU A 17 -7.602 4.928 1.124 1.00 0.00 C ATOM 0 H LEU A 17 -7.141 4.259 5.713 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.925 5.375 4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.943 5.614 3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.820 6.545 2.933 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.880 4.237 2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.544 2.429 2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.052 2.867 3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.620 3.417 3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.575 4.122 0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.638 5.191 1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.081 5.799 0.726 1.00 0.00 H new ATOM 270 N THR A 18 -4.754 7.380 5.560 1.00 0.00 N ATOM 271 CA THR A 18 -4.590 8.575 6.368 1.00 0.00 C ATOM 272 C THR A 18 -4.011 9.703 5.517 1.00 0.00 C ATOM 273 O THR A 18 -3.449 9.452 4.454 1.00 0.00 O ATOM 274 CB THR A 18 -3.630 8.297 7.544 1.00 0.00 C ATOM 275 OG1 THR A 18 -3.644 6.899 7.870 1.00 0.00 O ATOM 276 CG2 THR A 18 -4.020 9.108 8.769 1.00 0.00 C ATOM 0 H THR A 18 -3.887 7.036 5.146 1.00 0.00 H new ATOM 0 HA THR A 18 -5.567 8.866 6.755 1.00 0.00 H new ATOM 0 HB THR A 18 -2.626 8.591 7.238 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.752 6.520 7.725 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.328 8.893 9.583 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.980 10.171 8.530 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.032 8.842 9.074 1.00 0.00 H new ATOM 284 N ALA A 19 -4.157 10.938 5.973 1.00 0.00 N ATOM 285 CA ALA A 19 -3.535 12.074 5.310 1.00 0.00 C ATOM 286 C ALA A 19 -2.286 12.499 6.069 1.00 0.00 C ATOM 287 O ALA A 19 -2.225 12.381 7.293 1.00 0.00 O ATOM 288 CB ALA A 19 -4.516 13.234 5.205 1.00 0.00 C ATOM 0 H ALA A 19 -4.702 11.179 6.801 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.249 11.777 4.301 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.033 14.075 4.707 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.388 12.922 4.629 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.830 13.536 6.204 1.00 0.00 H new ATOM 294 N ILE A 20 -1.280 12.958 5.344 1.00 0.00 N ATOM 295 CA ILE A 20 -0.048 13.428 5.961 1.00 0.00 C ATOM 296 C ILE A 20 0.015 14.949 5.916 1.00 0.00 C ATOM 297 O ILE A 20 0.217 15.543 4.858 1.00 0.00 O ATOM 298 CB ILE A 20 1.207 12.848 5.269 1.00 0.00 C ATOM 299 CG1 ILE A 20 1.153 11.319 5.255 1.00 0.00 C ATOM 300 CG2 ILE A 20 2.473 13.332 5.972 1.00 0.00 C ATOM 301 CD1 ILE A 20 2.308 10.674 4.517 1.00 0.00 C ATOM 0 H ILE A 20 -1.291 13.016 4.326 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.056 13.083 6.995 1.00 0.00 H new ATOM 0 HB ILE A 20 1.228 13.200 4.238 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.142 10.956 6.283 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.217 11.002 4.795 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.348 12.915 5.473 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.517 14.420 5.933 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.459 13.006 7.012 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.201 9.590 4.550 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.308 11.007 3.479 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.247 10.960 4.990 1.00 0.00 H new ATOM 313 N ARG A 21 -0.180 15.568 7.067 1.00 0.00 N ATOM 314 CA ARG A 21 -0.143 17.015 7.166 1.00 0.00 C ATOM 315 C ARG A 21 1.197 17.469 7.723 1.00 0.00 C ATOM 316 O ARG A 21 1.758 16.833 8.616 1.00 0.00 O ATOM 317 CB ARG A 21 -1.273 17.514 8.065 1.00 0.00 C ATOM 318 CG ARG A 21 -1.448 19.020 8.043 1.00 0.00 C ATOM 319 CD ARG A 21 -2.454 19.475 9.084 1.00 0.00 C ATOM 320 NE ARG A 21 -2.747 20.905 8.975 1.00 0.00 N ATOM 321 CZ ARG A 21 -2.342 21.819 9.852 1.00 0.00 C ATOM 322 NH1 ARG A 21 -1.548 21.479 10.861 1.00 0.00 N ATOM 323 NH2 ARG A 21 -2.723 23.078 9.708 1.00 0.00 N ATOM 0 H ARG A 21 -0.366 15.089 7.948 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.274 17.434 6.168 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.206 17.044 7.756 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.079 17.194 9.089 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.488 19.502 8.227 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.778 19.335 7.053 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.377 18.906 8.969 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.068 19.259 10.080 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.297 21.220 8.176 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.245 20.511 10.967 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.242 22.186 11.529 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.324 23.343 8.928 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.416 23.784 10.377 1.00 0.00 H new ATOM 494 N SER A 34 -0.210 19.759 2.773 1.00 0.00 N ATOM 495 CA SER A 34 0.433 18.738 1.975 1.00 0.00 C ATOM 496 C SER A 34 -0.596 17.874 1.237 1.00 0.00 C ATOM 497 O SER A 34 -1.739 17.742 1.671 1.00 0.00 O ATOM 498 CB SER A 34 1.280 17.881 2.902 1.00 0.00 C ATOM 499 OG SER A 34 2.026 18.696 3.792 1.00 0.00 O ATOM 0 HA SER A 34 1.057 19.209 1.215 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.639 17.206 3.469 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.957 17.260 2.315 1.00 0.00 H new ATOM 0 HG SER A 34 1.615 19.584 3.845 1.00 0.00 H new ATOM 505 N SER A 35 -0.177 17.291 0.120 1.00 0.00 N ATOM 506 CA SER A 35 -1.041 16.411 -0.661 1.00 0.00 C ATOM 507 C SER A 35 -0.653 14.953 -0.411 1.00 0.00 C ATOM 508 O SER A 35 -1.170 14.028 -1.040 1.00 0.00 O ATOM 509 CB SER A 35 -0.922 16.754 -2.153 1.00 0.00 C ATOM 510 OG SER A 35 -1.888 16.065 -2.928 1.00 0.00 O ATOM 0 H SER A 35 0.759 17.412 -0.267 1.00 0.00 H new ATOM 0 HA SER A 35 -2.077 16.554 -0.354 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.044 17.828 -2.290 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.077 16.499 -2.506 1.00 0.00 H new ATOM 0 HG SER A 35 -1.988 16.508 -3.796 1.00 0.00 H new ATOM 516 N ALA A 36 0.251 14.763 0.539 1.00 0.00 N ATOM 517 CA ALA A 36 0.789 13.453 0.838 1.00 0.00 C ATOM 518 C ALA A 36 -0.214 12.609 1.608 1.00 0.00 C ATOM 519 O ALA A 36 -0.655 12.974 2.694 1.00 0.00 O ATOM 520 CB ALA A 36 2.087 13.582 1.617 1.00 0.00 C ATOM 0 H ALA A 36 0.628 15.512 1.120 1.00 0.00 H new ATOM 0 HA ALA A 36 0.995 12.948 -0.106 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.481 12.589 1.835 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.813 14.138 1.024 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.900 14.111 2.551 1.00 0.00 H new ATOM 526 N MET A 37 -0.590 11.500 1.013 1.00 0.00 N ATOM 527 CA MET A 37 -1.455 10.535 1.669 1.00 0.00 C ATOM 528 C MET A 37 -0.637 9.404 2.268 1.00 0.00 C ATOM 529 O MET A 37 0.468 9.100 1.812 1.00 0.00 O ATOM 530 CB MET A 37 -2.490 9.974 0.696 1.00 0.00 C ATOM 531 CG MET A 37 -3.712 10.861 0.520 1.00 0.00 C ATOM 532 SD MET A 37 -4.768 10.860 1.982 1.00 0.00 S ATOM 533 CE MET A 37 -6.081 11.961 1.459 1.00 0.00 C ATOM 0 H MET A 37 -0.310 11.239 0.068 1.00 0.00 H new ATOM 0 HA MET A 37 -1.982 11.052 2.471 1.00 0.00 H new ATOM 0 HB2 MET A 37 -2.018 9.825 -0.275 1.00 0.00 H new ATOM 0 HB3 MET A 37 -2.812 8.994 1.048 1.00 0.00 H new ATOM 0 HG2 MET A 37 -3.391 11.881 0.306 1.00 0.00 H new ATOM 0 HG3 MET A 37 -4.286 10.520 -0.341 1.00 0.00 H new ATOM 0 HE1 MET A 37 -7.015 11.666 1.936 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.834 12.983 1.746 1.00 0.00 H new ATOM 0 HE3 MET A 37 -6.193 11.905 0.376 1.00 0.00 H new ATOM 543 N HIS A 38 -1.197 8.787 3.284 1.00 0.00 N ATOM 544 CA HIS A 38 -0.551 7.712 4.008 1.00 0.00 C ATOM 545 C HIS A 38 -1.426 6.480 3.975 1.00 0.00 C ATOM 546 O HIS A 38 -2.591 6.527 4.344 1.00 0.00 O ATOM 547 CB HIS A 38 -0.306 8.137 5.456 1.00 0.00 C ATOM 548 CG HIS A 38 0.209 7.052 6.353 1.00 0.00 C ATOM 549 ND1 HIS A 38 -0.601 6.342 7.213 1.00 0.00 N ATOM 550 CD2 HIS A 38 1.460 6.577 6.538 1.00 0.00 C ATOM 551 CE1 HIS A 38 0.134 5.481 7.890 1.00 0.00 C ATOM 552 NE2 HIS A 38 1.392 5.601 7.502 1.00 0.00 N ATOM 0 H HIS A 38 -2.126 9.020 3.636 1.00 0.00 H new ATOM 0 HA HIS A 38 0.406 7.485 3.537 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.406 8.962 5.462 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.239 8.519 5.870 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.351 6.905 6.022 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.231 4.792 8.637 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.180 5.060 7.859 1.00 0.00 H new ATOM 561 N LEU A 39 -0.862 5.385 3.536 1.00 0.00 N ATOM 562 CA LEU A 39 -1.592 4.138 3.476 1.00 0.00 C ATOM 563 C LEU A 39 -0.829 3.034 4.182 1.00 0.00 C ATOM 564 O LEU A 39 0.366 2.846 3.954 1.00 0.00 O ATOM 565 CB LEU A 39 -1.878 3.729 2.029 1.00 0.00 C ATOM 566 CG LEU A 39 -3.157 4.317 1.419 1.00 0.00 C ATOM 567 CD1 LEU A 39 -2.970 5.778 1.033 1.00 0.00 C ATOM 568 CD2 LEU A 39 -3.596 3.492 0.219 1.00 0.00 C ATOM 0 H LEU A 39 0.104 5.328 3.213 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.544 4.292 3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.031 4.027 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.940 2.642 1.982 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.941 4.277 2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.895 6.162 0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.712 6.358 1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.168 5.861 0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.505 3.920 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.808 3.497 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.791 2.467 0.534 1.00 0.00 H new ATOM 580 N ARG A 40 -1.521 2.334 5.061 1.00 0.00 N ATOM 581 CA ARG A 40 -0.963 1.176 5.727 1.00 0.00 C ATOM 582 C ARG A 40 -1.725 -0.073 5.317 1.00 0.00 C ATOM 583 O ARG A 40 -2.951 -0.122 5.416 1.00 0.00 O ATOM 584 CB ARG A 40 -1.012 1.335 7.250 1.00 0.00 C ATOM 585 CG ARG A 40 -0.664 0.050 7.992 1.00 0.00 C ATOM 586 CD ARG A 40 -0.946 0.153 9.481 1.00 0.00 C ATOM 587 NE ARG A 40 -0.780 -1.136 10.152 1.00 0.00 N ATOM 588 CZ ARG A 40 -0.994 -1.340 11.452 1.00 0.00 C ATOM 589 NH1 ARG A 40 -1.414 -0.343 12.229 1.00 0.00 N ATOM 590 NH2 ARG A 40 -0.813 -2.550 11.966 1.00 0.00 N ATOM 0 H ARG A 40 -2.480 2.552 5.331 1.00 0.00 H new ATOM 0 HA ARG A 40 0.081 1.083 5.427 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.319 2.121 7.551 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.010 1.660 7.544 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.237 -0.777 7.572 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.390 -0.182 7.839 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.275 0.886 9.929 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.962 0.516 9.635 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.481 -1.931 9.588 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.573 0.582 11.830 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.576 -0.505 13.223 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.512 -3.319 11.367 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.975 -2.711 12.960 1.00 0.00 H new ATOM 604 N PHE A 41 -0.995 -1.061 4.836 1.00 0.00 N ATOM 605 CA PHE A 41 -1.571 -2.349 4.509 1.00 0.00 C ATOM 606 C PHE A 41 -0.904 -3.429 5.342 1.00 0.00 C ATOM 607 O PHE A 41 0.255 -3.778 5.120 1.00 0.00 O ATOM 608 CB PHE A 41 -1.417 -2.648 3.016 1.00 0.00 C ATOM 609 CG PHE A 41 -1.926 -4.005 2.622 1.00 0.00 C ATOM 610 CD1 PHE A 41 -3.281 -4.289 2.654 1.00 0.00 C ATOM 611 CD2 PHE A 41 -1.044 -4.996 2.227 1.00 0.00 C ATOM 612 CE1 PHE A 41 -3.748 -5.537 2.296 1.00 0.00 C ATOM 613 CE2 PHE A 41 -1.504 -6.248 1.871 1.00 0.00 C ATOM 614 CZ PHE A 41 -2.858 -6.519 1.907 1.00 0.00 C ATOM 0 H PHE A 41 0.008 -0.993 4.662 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.637 -2.329 4.738 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.950 -1.888 2.444 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.364 -2.571 2.745 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.980 -3.525 2.962 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.015 -4.788 2.197 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.807 -5.746 2.320 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.807 -7.014 1.565 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.221 -7.498 1.631 1.00 0.00 H new ATOM 624 N ASP A 42 -1.626 -3.916 6.329 1.00 0.00 N ATOM 625 CA ASP A 42 -1.125 -4.961 7.204 1.00 0.00 C ATOM 626 C ASP A 42 -1.281 -6.319 6.528 1.00 0.00 C ATOM 627 O ASP A 42 -2.396 -6.777 6.293 1.00 0.00 O ATOM 628 CB ASP A 42 -1.883 -4.941 8.532 1.00 0.00 C ATOM 629 CG ASP A 42 -1.170 -5.710 9.621 1.00 0.00 C ATOM 630 OD1 ASP A 42 -1.138 -6.953 9.556 1.00 0.00 O ATOM 631 OD2 ASP A 42 -0.638 -5.059 10.551 1.00 0.00 O ATOM 0 H ASP A 42 -2.571 -3.603 6.549 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.068 -4.784 7.403 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.020 -3.908 8.852 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.877 -5.364 8.385 1.00 0.00 H new ATOM 636 N ILE A 43 -0.161 -6.951 6.204 1.00 0.00 N ATOM 637 CA ILE A 43 -0.173 -8.235 5.516 1.00 0.00 C ATOM 638 C ILE A 43 -0.564 -9.353 6.478 1.00 0.00 C ATOM 639 O ILE A 43 -1.132 -10.369 6.080 1.00 0.00 O ATOM 640 CB ILE A 43 1.210 -8.548 4.898 1.00 0.00 C ATOM 641 CG1 ILE A 43 1.608 -7.453 3.907 1.00 0.00 C ATOM 642 CG2 ILE A 43 1.213 -9.908 4.212 1.00 0.00 C ATOM 643 CD1 ILE A 43 2.983 -7.646 3.302 1.00 0.00 C ATOM 0 H ILE A 43 0.772 -6.593 6.408 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.909 -8.174 4.715 1.00 0.00 H new ATOM 0 HB ILE A 43 1.941 -8.577 5.706 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.871 -7.416 3.105 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.576 -6.488 4.414 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.199 -10.099 3.788 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.975 -10.683 4.940 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.468 -9.916 3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.194 -6.831 2.610 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.732 -7.652 4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.015 -8.594 2.765 1.00 0.00 H new ATOM 655 N ASN A 44 -0.280 -9.142 7.750 1.00 0.00 N ATOM 656 CA ASN A 44 -0.483 -10.164 8.758 1.00 0.00 C ATOM 657 C ASN A 44 -1.968 -10.361 9.061 1.00 0.00 C ATOM 658 O ASN A 44 -2.485 -11.477 8.971 1.00 0.00 O ATOM 659 CB ASN A 44 0.263 -9.776 10.031 1.00 0.00 C ATOM 660 CG ASN A 44 0.476 -10.942 10.968 1.00 0.00 C ATOM 661 OD1 ASN A 44 -0.351 -11.227 11.831 1.00 0.00 O ATOM 662 ND2 ASN A 44 1.597 -11.623 10.803 1.00 0.00 N ATOM 0 H ASN A 44 0.095 -8.265 8.111 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.094 -11.107 8.375 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.230 -9.350 9.764 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.296 -8.997 10.550 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.803 -12.420 11.405 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.256 -11.351 10.073 1.00 0.00 H new ATOM 669 N ALA A 45 -2.647 -9.270 9.388 1.00 0.00 N ATOM 670 CA ALA A 45 -4.028 -9.335 9.863 1.00 0.00 C ATOM 671 C ALA A 45 -5.058 -9.265 8.734 1.00 0.00 C ATOM 672 O ALA A 45 -6.261 -9.344 8.993 1.00 0.00 O ATOM 673 CB ALA A 45 -4.280 -8.220 10.868 1.00 0.00 C ATOM 0 H ALA A 45 -2.265 -8.326 9.334 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.153 -10.308 10.339 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.311 -8.273 11.219 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.602 -8.333 11.714 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.108 -7.255 10.391 1.00 0.00 H new ATOM 679 N SER A 46 -4.605 -9.127 7.494 1.00 0.00 N ATOM 680 CA SER A 46 -5.522 -9.007 6.365 1.00 0.00 C ATOM 681 C SER A 46 -6.043 -10.369 5.913 1.00 0.00 C ATOM 682 O SER A 46 -5.549 -11.418 6.346 1.00 0.00 O ATOM 683 CB SER A 46 -4.838 -8.289 5.203 1.00 0.00 C ATOM 684 OG SER A 46 -3.555 -8.831 4.957 1.00 0.00 O ATOM 0 H SER A 46 -3.616 -9.095 7.245 1.00 0.00 H new ATOM 0 HA SER A 46 -6.379 -8.419 6.695 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.451 -8.375 4.306 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.751 -7.226 5.428 1.00 0.00 H new ATOM 0 HG SER A 46 -2.878 -8.287 5.410 1.00 0.00 H new ATOM 690 N SER A 47 -7.037 -10.341 5.031 1.00 0.00 N ATOM 691 CA SER A 47 -7.684 -11.554 4.542 1.00 0.00 C ATOM 692 C SER A 47 -6.891 -12.212 3.411 1.00 0.00 C ATOM 693 O SER A 47 -7.426 -13.038 2.667 1.00 0.00 O ATOM 694 CB SER A 47 -9.100 -11.228 4.066 1.00 0.00 C ATOM 695 OG SER A 47 -9.871 -10.649 5.109 1.00 0.00 O ATOM 0 H SER A 47 -7.416 -9.480 4.636 1.00 0.00 H new ATOM 0 HA SER A 47 -7.725 -12.264 5.368 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.053 -10.542 3.220 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.586 -12.137 3.712 1.00 0.00 H new ATOM 0 HG SER A 47 -9.296 -10.084 5.666 1.00 0.00 H new ATOM 701 N LEU A 48 -5.617 -11.847 3.283 1.00 0.00 N ATOM 702 CA LEU A 48 -4.736 -12.467 2.302 1.00 0.00 C ATOM 703 C LEU A 48 -4.657 -13.973 2.520 1.00 0.00 C ATOM 704 O LEU A 48 -4.411 -14.429 3.639 1.00 0.00 O ATOM 705 CB LEU A 48 -3.331 -11.864 2.389 1.00 0.00 C ATOM 706 CG LEU A 48 -3.183 -10.448 1.838 1.00 0.00 C ATOM 707 CD1 LEU A 48 -1.781 -9.929 2.093 1.00 0.00 C ATOM 708 CD2 LEU A 48 -3.491 -10.424 0.349 1.00 0.00 C ATOM 0 H LEU A 48 -5.173 -11.123 3.849 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.149 -12.275 1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.021 -11.862 3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.642 -12.517 1.853 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.894 -9.800 2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.689 -8.918 1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.587 -9.916 3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.057 -10.579 1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.381 -9.408 -0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.800 -11.083 -0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.513 -10.764 0.183 1.00 0.00 H new ATOM 720 N PRO A 49 -4.872 -14.765 1.457 1.00 0.00 N ATOM 721 CA PRO A 49 -4.756 -16.223 1.526 1.00 0.00 C ATOM 722 C PRO A 49 -3.371 -16.643 2.008 1.00 0.00 C ATOM 723 O PRO A 49 -2.370 -16.017 1.644 1.00 0.00 O ATOM 724 CB PRO A 49 -4.981 -16.676 0.080 1.00 0.00 C ATOM 725 CG PRO A 49 -5.732 -15.558 -0.557 1.00 0.00 C ATOM 726 CD PRO A 49 -5.250 -14.304 0.112 1.00 0.00 C ATOM 0 HA PRO A 49 -5.464 -16.664 2.227 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.035 -16.858 -0.429 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.548 -17.606 0.041 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.546 -15.524 -1.630 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.807 -15.683 -0.424 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.403 -13.866 -0.416 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.030 -13.543 0.151 1.00 0.00 H new ATOM 734 N PRO A 50 -3.301 -17.710 2.826 1.00 0.00 N ATOM 735 CA PRO A 50 -2.058 -18.171 3.460 1.00 0.00 C ATOM 736 C PRO A 50 -0.868 -18.194 2.506 1.00 0.00 C ATOM 737 O PRO A 50 0.185 -17.644 2.814 1.00 0.00 O ATOM 738 CB PRO A 50 -2.408 -19.586 3.913 1.00 0.00 C ATOM 739 CG PRO A 50 -3.867 -19.531 4.196 1.00 0.00 C ATOM 740 CD PRO A 50 -4.450 -18.559 3.205 1.00 0.00 C ATOM 0 HA PRO A 50 -1.746 -17.506 4.265 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.180 -20.319 3.139 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.841 -19.872 4.799 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.322 -20.516 4.089 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.053 -19.203 5.219 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -4.870 -19.073 2.340 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.254 -17.970 3.647 1.00 0.00 H new ATOM 748 N PHE A 51 -1.057 -18.809 1.345 1.00 0.00 N ATOM 749 CA PHE A 51 0.005 -18.946 0.348 1.00 0.00 C ATOM 750 C PHE A 51 0.633 -17.592 0.010 1.00 0.00 C ATOM 751 O PHE A 51 1.853 -17.444 0.003 1.00 0.00 O ATOM 752 CB PHE A 51 -0.556 -19.583 -0.925 1.00 0.00 C ATOM 753 CG PHE A 51 0.477 -19.838 -1.986 1.00 0.00 C ATOM 754 CD1 PHE A 51 1.316 -20.936 -1.906 1.00 0.00 C ATOM 755 CD2 PHE A 51 0.609 -18.977 -3.067 1.00 0.00 C ATOM 756 CE1 PHE A 51 2.265 -21.174 -2.879 1.00 0.00 C ATOM 757 CE2 PHE A 51 1.558 -19.209 -4.043 1.00 0.00 C ATOM 758 CZ PHE A 51 2.388 -20.308 -3.950 1.00 0.00 C ATOM 0 H PHE A 51 -1.945 -19.226 1.066 1.00 0.00 H new ATOM 0 HA PHE A 51 0.781 -19.585 0.770 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.037 -20.526 -0.666 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.330 -18.933 -1.334 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.227 -21.615 -1.071 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.038 -18.116 -3.146 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.911 -22.036 -2.804 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.651 -18.531 -4.879 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.131 -20.491 -4.712 1.00 0.00 H new ATOM 768 N TYR A 52 -0.213 -16.612 -0.261 1.00 0.00 N ATOM 769 CA TYR A 52 0.246 -15.299 -0.665 1.00 0.00 C ATOM 770 C TYR A 52 0.810 -14.520 0.517 1.00 0.00 C ATOM 771 O TYR A 52 1.785 -13.780 0.371 1.00 0.00 O ATOM 772 CB TYR A 52 -0.905 -14.535 -1.314 1.00 0.00 C ATOM 773 CG TYR A 52 -1.386 -15.157 -2.608 1.00 0.00 C ATOM 774 CD1 TYR A 52 -0.755 -14.875 -3.815 1.00 0.00 C ATOM 775 CD2 TYR A 52 -2.462 -16.034 -2.621 1.00 0.00 C ATOM 776 CE1 TYR A 52 -1.189 -15.445 -4.997 1.00 0.00 C ATOM 777 CE2 TYR A 52 -2.903 -16.608 -3.800 1.00 0.00 C ATOM 778 CZ TYR A 52 -2.259 -16.315 -4.982 1.00 0.00 C ATOM 779 OH TYR A 52 -2.691 -16.890 -6.155 1.00 0.00 O ATOM 0 H TYR A 52 -1.227 -16.705 -0.207 1.00 0.00 H new ATOM 0 HA TYR A 52 1.052 -15.420 -1.389 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.738 -14.483 -0.613 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.588 -13.510 -1.508 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.088 -14.200 -3.829 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.964 -16.272 -1.695 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.693 -15.210 -5.927 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.747 -17.282 -3.794 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.453 -17.478 -5.970 1.00 0.00 H new ATOM 789 N LYS A 53 0.203 -14.698 1.686 1.00 0.00 N ATOM 790 CA LYS A 53 0.661 -14.049 2.894 1.00 0.00 C ATOM 791 C LYS A 53 2.062 -14.534 3.269 1.00 0.00 C ATOM 792 O LYS A 53 2.930 -13.735 3.616 1.00 0.00 O ATOM 793 CB LYS A 53 -0.340 -14.337 4.010 1.00 0.00 C ATOM 794 CG LYS A 53 -0.032 -13.635 5.311 1.00 0.00 C ATOM 795 CD LYS A 53 -1.146 -13.838 6.312 1.00 0.00 C ATOM 796 CE LYS A 53 -2.423 -13.133 5.885 1.00 0.00 C ATOM 797 NZ LYS A 53 -3.475 -13.211 6.931 1.00 0.00 N ATOM 0 H LYS A 53 -0.615 -15.294 1.815 1.00 0.00 H new ATOM 0 HA LYS A 53 0.725 -12.972 2.735 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.335 -14.041 3.677 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.370 -15.412 4.188 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.904 -14.015 5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.109 -12.570 5.129 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.341 -14.904 6.428 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.832 -13.463 7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.205 -12.088 5.667 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.794 -13.581 4.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.324 -12.704 6.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.714 -14.207 7.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.125 -12.776 7.809 1.00 0.00 H new ATOM 811 N GLU A 54 2.276 -15.847 3.173 1.00 0.00 N ATOM 812 CA GLU A 54 3.584 -16.440 3.431 1.00 0.00 C ATOM 813 C GLU A 54 4.610 -15.908 2.438 1.00 0.00 C ATOM 814 O GLU A 54 5.714 -15.513 2.816 1.00 0.00 O ATOM 815 CB GLU A 54 3.517 -17.967 3.317 1.00 0.00 C ATOM 816 CG GLU A 54 2.598 -18.629 4.330 1.00 0.00 C ATOM 817 CD GLU A 54 3.028 -18.389 5.762 1.00 0.00 C ATOM 818 OE1 GLU A 54 2.655 -17.348 6.335 1.00 0.00 O ATOM 819 OE2 GLU A 54 3.734 -19.253 6.328 1.00 0.00 O ATOM 0 H GLU A 54 1.555 -16.521 2.917 1.00 0.00 H new ATOM 0 HA GLU A 54 3.883 -16.170 4.444 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.183 -18.231 2.314 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.522 -18.373 3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.584 -18.253 4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.569 -19.702 4.140 1.00 0.00 H new ATOM 826 N ARG A 55 4.226 -15.899 1.165 1.00 0.00 N ATOM 827 CA ARG A 55 5.076 -15.421 0.089 1.00 0.00 C ATOM 828 C ARG A 55 5.572 -14.005 0.352 1.00 0.00 C ATOM 829 O ARG A 55 6.745 -13.703 0.146 1.00 0.00 O ATOM 830 CB ARG A 55 4.274 -15.446 -1.205 1.00 0.00 C ATOM 831 CG ARG A 55 4.949 -16.176 -2.343 1.00 0.00 C ATOM 832 CD ARG A 55 6.219 -15.467 -2.782 1.00 0.00 C ATOM 833 NE ARG A 55 6.593 -15.800 -4.154 1.00 0.00 N ATOM 834 CZ ARG A 55 7.849 -15.963 -4.563 1.00 0.00 C ATOM 835 NH1 ARG A 55 8.845 -15.980 -3.686 1.00 0.00 N ATOM 836 NH2 ARG A 55 8.105 -16.148 -5.852 1.00 0.00 N ATOM 0 H ARG A 55 3.311 -16.225 0.853 1.00 0.00 H new ATOM 0 HA ARG A 55 5.949 -16.069 0.018 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.309 -15.914 -1.011 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.075 -14.420 -1.515 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.187 -17.194 -2.034 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.263 -16.252 -3.186 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.079 -14.389 -2.697 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.034 -15.736 -2.110 1.00 0.00 H new ATOM 0 HE ARG A 55 5.847 -15.915 -4.840 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.650 -15.868 -2.691 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.805 -16.105 -4.007 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.340 -16.165 -6.527 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.067 -16.273 -6.168 1.00 0.00 H new ATOM 850 N LEU A 56 4.670 -13.146 0.804 1.00 0.00 N ATOM 851 CA LEU A 56 4.994 -11.747 1.057 1.00 0.00 C ATOM 852 C LEU A 56 5.864 -11.594 2.300 1.00 0.00 C ATOM 853 O LEU A 56 6.843 -10.853 2.295 1.00 0.00 O ATOM 854 CB LEU A 56 3.711 -10.933 1.219 1.00 0.00 C ATOM 855 CG LEU A 56 2.861 -10.796 -0.047 1.00 0.00 C ATOM 856 CD1 LEU A 56 1.613 -9.976 0.235 1.00 0.00 C ATOM 857 CD2 LEU A 56 3.671 -10.167 -1.172 1.00 0.00 C ATOM 0 H LEU A 56 3.701 -13.394 1.005 1.00 0.00 H new ATOM 0 HA LEU A 56 5.556 -11.373 0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.103 -11.394 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.975 -9.935 1.570 1.00 0.00 H new ATOM 0 HG LEU A 56 2.554 -11.793 -0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.021 -9.889 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.021 -10.468 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.900 -8.982 0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.049 -10.078 -2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.010 -9.177 -0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.534 -10.794 -1.393 1.00 0.00 H new ATOM 869 N LEU A 57 5.497 -12.301 3.357 1.00 0.00 N ATOM 870 CA LEU A 57 6.196 -12.235 4.619 1.00 0.00 C ATOM 871 C LEU A 57 7.630 -12.743 4.482 1.00 0.00 C ATOM 872 O LEU A 57 8.558 -12.207 5.088 1.00 0.00 O ATOM 873 CB LEU A 57 5.434 -13.075 5.631 1.00 0.00 C ATOM 874 CG LEU A 57 6.044 -13.098 7.012 1.00 0.00 C ATOM 875 CD1 LEU A 57 5.960 -11.724 7.663 1.00 0.00 C ATOM 876 CD2 LEU A 57 5.379 -14.156 7.879 1.00 0.00 C ATOM 0 H LEU A 57 4.701 -12.939 3.358 1.00 0.00 H new ATOM 0 HA LEU A 57 6.248 -11.198 4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.414 -12.696 5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.368 -14.098 5.260 1.00 0.00 H new ATOM 0 HG LEU A 57 7.098 -13.359 6.915 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.405 -11.764 8.657 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.499 -10.999 7.053 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.915 -11.424 7.746 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.835 -14.154 8.869 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.315 -13.937 7.969 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.510 -15.136 7.421 1.00 0.00 H new ATOM 888 N ALA A 58 7.798 -13.783 3.684 1.00 0.00 N ATOM 889 CA ALA A 58 9.105 -14.392 3.479 1.00 0.00 C ATOM 890 C ALA A 58 9.710 -13.977 2.138 1.00 0.00 C ATOM 891 O ALA A 58 10.455 -14.741 1.522 1.00 0.00 O ATOM 892 CB ALA A 58 8.976 -15.909 3.556 1.00 0.00 C ATOM 0 H ALA A 58 7.042 -14.227 3.163 1.00 0.00 H new ATOM 0 HA ALA A 58 9.776 -14.042 4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 58 9.954 -16.366 3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.593 -16.192 4.536 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.289 -16.255 2.784 1.00 0.00 H new ATOM 898 N LEU A 59 9.422 -12.757 1.703 1.00 0.00 N ATOM 899 CA LEU A 59 9.880 -12.285 0.409 1.00 0.00 C ATOM 900 C LEU A 59 11.221 -11.568 0.539 1.00 0.00 C ATOM 901 O LEU A 59 11.723 -11.357 1.643 1.00 0.00 O ATOM 902 CB LEU A 59 8.829 -11.354 -0.191 1.00 0.00 C ATOM 903 CG LEU A 59 8.916 -11.152 -1.697 1.00 0.00 C ATOM 904 CD1 LEU A 59 8.930 -12.487 -2.425 1.00 0.00 C ATOM 905 CD2 LEU A 59 7.751 -10.308 -2.170 1.00 0.00 C ATOM 0 H LEU A 59 8.873 -12.078 2.230 1.00 0.00 H new ATOM 0 HA LEU A 59 10.022 -13.140 -0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.841 -11.747 0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.911 -10.381 0.294 1.00 0.00 H new ATOM 0 HG LEU A 59 9.848 -10.635 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.993 -12.315 -3.499 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.792 -13.070 -2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.015 -13.035 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.818 -10.167 -3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.815 -10.811 -1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.780 -9.338 -1.674 1.00 0.00 H new ATOM 917 N ASN A 60 11.800 -11.203 -0.595 1.00 0.00 N ATOM 918 CA ASN A 60 13.081 -10.508 -0.620 1.00 0.00 C ATOM 919 C ASN A 60 12.854 -9.029 -0.907 1.00 0.00 C ATOM 920 O ASN A 60 13.791 -8.277 -1.174 1.00 0.00 O ATOM 921 CB ASN A 60 13.976 -11.125 -1.701 1.00 0.00 C ATOM 922 CG ASN A 60 15.467 -10.995 -1.412 1.00 0.00 C ATOM 923 OD1 ASN A 60 16.254 -11.859 -1.788 1.00 0.00 O ATOM 924 ND2 ASN A 60 15.871 -9.918 -0.756 1.00 0.00 N ATOM 0 H ASN A 60 11.400 -11.378 -1.517 1.00 0.00 H new ATOM 0 HA ASN A 60 13.572 -10.609 0.348 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.727 -12.181 -1.807 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.757 -10.648 -2.656 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.861 -9.788 -0.550 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.192 -9.218 -0.457 1.00 0.00 H new ATOM 931 N ASP A 61 11.603 -8.614 -0.827 1.00 0.00 N ATOM 932 CA ASP A 61 11.235 -7.257 -1.193 1.00 0.00 C ATOM 933 C ASP A 61 11.395 -6.322 -0.006 1.00 0.00 C ATOM 934 O ASP A 61 10.843 -6.561 1.065 1.00 0.00 O ATOM 935 CB ASP A 61 9.798 -7.205 -1.702 1.00 0.00 C ATOM 936 CG ASP A 61 9.549 -5.987 -2.563 1.00 0.00 C ATOM 937 OD1 ASP A 61 9.559 -4.858 -2.031 1.00 0.00 O ATOM 938 OD2 ASP A 61 9.353 -6.153 -3.779 1.00 0.00 O ATOM 0 H ASP A 61 10.826 -9.195 -0.513 1.00 0.00 H new ATOM 0 HA ASP A 61 11.901 -6.932 -1.992 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.584 -8.106 -2.277 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.113 -7.197 -0.854 1.00 0.00 H new ATOM 943 N SER A 62 12.153 -5.257 -0.209 1.00 0.00 N ATOM 944 CA SER A 62 12.447 -4.303 0.855 1.00 0.00 C ATOM 945 C SER A 62 11.316 -3.292 1.058 1.00 0.00 C ATOM 946 O SER A 62 11.391 -2.441 1.946 1.00 0.00 O ATOM 947 CB SER A 62 13.751 -3.571 0.549 1.00 0.00 C ATOM 948 OG SER A 62 14.837 -4.482 0.465 1.00 0.00 O ATOM 0 H SER A 62 12.580 -5.028 -1.107 1.00 0.00 H new ATOM 0 HA SER A 62 12.547 -4.868 1.782 1.00 0.00 H new ATOM 0 HB2 SER A 62 13.655 -3.026 -0.390 1.00 0.00 H new ATOM 0 HB3 SER A 62 13.949 -2.833 1.327 1.00 0.00 H new ATOM 0 HG SER A 62 15.661 -3.991 0.267 1.00 0.00 H new ATOM 954 N ARG A 63 10.276 -3.376 0.236 1.00 0.00 N ATOM 955 CA ARG A 63 9.094 -2.551 0.438 1.00 0.00 C ATOM 956 C ARG A 63 8.201 -3.202 1.476 1.00 0.00 C ATOM 957 O ARG A 63 7.324 -2.566 2.059 1.00 0.00 O ATOM 958 CB ARG A 63 8.336 -2.359 -0.873 1.00 0.00 C ATOM 959 CG ARG A 63 9.095 -1.538 -1.900 1.00 0.00 C ATOM 960 CD ARG A 63 8.449 -1.633 -3.270 1.00 0.00 C ATOM 961 NE ARG A 63 8.528 -2.986 -3.820 1.00 0.00 N ATOM 962 CZ ARG A 63 8.184 -3.301 -5.066 1.00 0.00 C ATOM 963 NH1 ARG A 63 7.705 -2.374 -5.876 1.00 0.00 N ATOM 964 NH2 ARG A 63 8.310 -4.548 -5.493 1.00 0.00 N ATOM 0 H ARG A 63 10.228 -4.001 -0.569 1.00 0.00 H new ATOM 0 HA ARG A 63 9.403 -1.567 0.792 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.109 -3.337 -1.298 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.383 -1.873 -0.664 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.128 -0.496 -1.583 1.00 0.00 H new ATOM 0 HG3 ARG A 63 10.126 -1.887 -1.957 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.404 -1.330 -3.200 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.938 -0.936 -3.951 1.00 0.00 H new ATOM 0 HE ARG A 63 8.867 -3.732 -3.212 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.598 -1.415 -5.547 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.442 -2.618 -6.831 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.671 -5.268 -4.867 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.046 -4.789 -6.448 1.00 0.00 H new ATOM 978 N ILE A 64 8.444 -4.485 1.698 1.00 0.00 N ATOM 979 CA ILE A 64 7.741 -5.240 2.713 1.00 0.00 C ATOM 980 C ILE A 64 8.582 -5.292 3.978 1.00 0.00 C ATOM 981 O ILE A 64 9.701 -5.803 3.965 1.00 0.00 O ATOM 982 CB ILE A 64 7.442 -6.678 2.237 1.00 0.00 C ATOM 983 CG1 ILE A 64 6.664 -6.644 0.919 1.00 0.00 C ATOM 984 CG2 ILE A 64 6.659 -7.437 3.301 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.375 -8.012 0.339 1.00 0.00 C ATOM 0 H ILE A 64 9.134 -5.027 1.178 1.00 0.00 H new ATOM 0 HA ILE A 64 6.792 -4.742 2.912 1.00 0.00 H new ATOM 0 HB ILE A 64 8.386 -7.197 2.071 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.721 -6.122 1.079 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.230 -6.064 0.190 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.456 -8.449 2.951 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.243 -7.482 4.220 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.717 -6.924 3.495 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.821 -7.902 -0.593 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.314 -8.531 0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.781 -8.590 1.048 1.00 0.00 H new ATOM 997 N THR A 65 8.060 -4.740 5.061 1.00 0.00 N ATOM 998 CA THR A 65 8.779 -4.749 6.318 1.00 0.00 C ATOM 999 C THR A 65 8.837 -6.160 6.889 1.00 0.00 C ATOM 1000 O THR A 65 7.958 -6.985 6.625 1.00 0.00 O ATOM 1001 CB THR A 65 8.139 -3.799 7.347 1.00 0.00 C ATOM 1002 OG1 THR A 65 6.762 -4.137 7.542 1.00 0.00 O ATOM 1003 CG2 THR A 65 8.255 -2.350 6.891 1.00 0.00 C ATOM 0 H THR A 65 7.148 -4.284 5.093 1.00 0.00 H new ATOM 0 HA THR A 65 9.791 -4.398 6.115 1.00 0.00 H new ATOM 0 HB THR A 65 8.673 -3.910 8.291 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.214 -3.678 6.871 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.796 -1.697 7.633 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.307 -2.087 6.777 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.745 -2.227 5.935 1.00 0.00 H new ATOM 1011 N SER A 66 9.859 -6.422 7.687 1.00 0.00 N ATOM 1012 CA SER A 66 10.119 -7.756 8.212 1.00 0.00 C ATOM 1013 C SER A 66 9.023 -8.219 9.180 1.00 0.00 C ATOM 1014 O SER A 66 9.036 -9.361 9.644 1.00 0.00 O ATOM 1015 CB SER A 66 11.469 -7.753 8.919 1.00 0.00 C ATOM 1016 OG SER A 66 12.449 -7.095 8.130 1.00 0.00 O ATOM 0 H SER A 66 10.532 -5.718 7.990 1.00 0.00 H new ATOM 0 HA SER A 66 10.127 -8.456 7.377 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.378 -7.255 9.884 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.783 -8.778 9.117 1.00 0.00 H new ATOM 0 HG SER A 66 13.308 -7.102 8.602 1.00 0.00 H new ATOM 1022 N ASP A 67 8.085 -7.334 9.492 1.00 0.00 N ATOM 1023 CA ASP A 67 6.985 -7.678 10.386 1.00 0.00 C ATOM 1024 C ASP A 67 5.705 -7.952 9.593 1.00 0.00 C ATOM 1025 O ASP A 67 4.733 -8.492 10.125 1.00 0.00 O ATOM 1026 CB ASP A 67 6.749 -6.558 11.401 1.00 0.00 C ATOM 1027 CG ASP A 67 5.846 -6.994 12.535 1.00 0.00 C ATOM 1028 OD1 ASP A 67 6.255 -7.883 13.311 1.00 0.00 O ATOM 1029 OD2 ASP A 67 4.727 -6.456 12.659 1.00 0.00 O ATOM 0 H ASP A 67 8.063 -6.376 9.141 1.00 0.00 H new ATOM 0 HA ASP A 67 7.257 -8.586 10.924 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.706 -6.230 11.807 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.306 -5.700 10.896 1.00 0.00 H new ATOM 1034 N GLY A 68 5.716 -7.585 8.315 1.00 0.00 N ATOM 1035 CA GLY A 68 4.567 -7.829 7.459 1.00 0.00 C ATOM 1036 C GLY A 68 3.629 -6.639 7.367 1.00 0.00 C ATOM 1037 O GLY A 68 2.411 -6.807 7.299 1.00 0.00 O ATOM 0 H GLY A 68 6.501 -7.122 7.856 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.915 -8.088 6.459 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.016 -8.690 7.837 1.00 0.00 H new ATOM 1041 N VAL A 69 4.186 -5.435 7.357 1.00 0.00 N ATOM 1042 CA VAL A 69 3.381 -4.224 7.261 1.00 0.00 C ATOM 1043 C VAL A 69 3.831 -3.374 6.078 1.00 0.00 C ATOM 1044 O VAL A 69 5.023 -3.121 5.898 1.00 0.00 O ATOM 1045 CB VAL A 69 3.461 -3.377 8.550 1.00 0.00 C ATOM 1046 CG1 VAL A 69 2.510 -2.190 8.480 1.00 0.00 C ATOM 1047 CG2 VAL A 69 3.168 -4.227 9.773 1.00 0.00 C ATOM 0 H VAL A 69 5.191 -5.271 7.414 1.00 0.00 H new ATOM 0 HA VAL A 69 2.348 -4.540 7.118 1.00 0.00 H new ATOM 0 HB VAL A 69 4.477 -2.993 8.638 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.585 -1.609 9.399 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.775 -1.561 7.631 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.488 -2.549 8.360 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.230 -3.609 10.669 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.166 -4.648 9.692 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.897 -5.035 9.838 1.00 0.00 H new ATOM 1057 N ILE A 70 2.880 -2.952 5.266 1.00 0.00 N ATOM 1058 CA ILE A 70 3.172 -2.086 4.134 1.00 0.00 C ATOM 1059 C ILE A 70 2.770 -0.653 4.452 1.00 0.00 C ATOM 1060 O ILE A 70 1.615 -0.384 4.772 1.00 0.00 O ATOM 1061 CB ILE A 70 2.431 -2.550 2.859 1.00 0.00 C ATOM 1062 CG1 ILE A 70 2.790 -3.998 2.525 1.00 0.00 C ATOM 1063 CG2 ILE A 70 2.760 -1.639 1.682 1.00 0.00 C ATOM 1064 CD1 ILE A 70 4.265 -4.213 2.274 1.00 0.00 C ATOM 0 H ILE A 70 1.895 -3.195 5.368 1.00 0.00 H new ATOM 0 HA ILE A 70 4.245 -2.139 3.950 1.00 0.00 H new ATOM 0 HB ILE A 70 1.359 -2.493 3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.472 -4.641 3.346 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.231 -4.308 1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.228 -1.984 0.795 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.454 -0.619 1.915 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.833 -1.662 1.493 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.446 -5.263 2.043 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.585 -3.597 1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.830 -3.935 3.164 1.00 0.00 H new ATOM 1076 N VAL A 71 3.727 0.262 4.385 1.00 0.00 N ATOM 1077 CA VAL A 71 3.453 1.672 4.626 1.00 0.00 C ATOM 1078 C VAL A 71 3.872 2.495 3.419 1.00 0.00 C ATOM 1079 O VAL A 71 5.032 2.468 3.008 1.00 0.00 O ATOM 1080 CB VAL A 71 4.190 2.201 5.874 1.00 0.00 C ATOM 1081 CG1 VAL A 71 3.816 3.651 6.148 1.00 0.00 C ATOM 1082 CG2 VAL A 71 3.900 1.334 7.090 1.00 0.00 C ATOM 0 H VAL A 71 4.701 0.053 4.166 1.00 0.00 H new ATOM 0 HA VAL A 71 2.381 1.767 4.798 1.00 0.00 H new ATOM 0 HB VAL A 71 5.261 2.154 5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.347 4.003 7.032 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.091 4.266 5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.742 3.724 6.317 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.432 1.730 7.955 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.829 1.336 7.291 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.231 0.314 6.897 1.00 0.00 H new ATOM 1092 N LEU A 72 2.925 3.221 2.852 1.00 0.00 N ATOM 1093 CA LEU A 72 3.197 4.016 1.665 1.00 0.00 C ATOM 1094 C LEU A 72 3.180 5.500 1.972 1.00 0.00 C ATOM 1095 O LEU A 72 2.679 5.943 3.011 1.00 0.00 O ATOM 1096 CB LEU A 72 2.184 3.747 0.543 1.00 0.00 C ATOM 1097 CG LEU A 72 2.169 2.336 -0.051 1.00 0.00 C ATOM 1098 CD1 LEU A 72 3.583 1.809 -0.257 1.00 0.00 C ATOM 1099 CD2 LEU A 72 1.347 1.386 0.806 1.00 0.00 C ATOM 0 H LEU A 72 1.965 3.277 3.191 1.00 0.00 H new ATOM 0 HA LEU A 72 4.191 3.718 1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.187 3.965 0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.376 4.453 -0.265 1.00 0.00 H new ATOM 0 HG LEU A 72 1.692 2.395 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.539 0.805 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.121 2.467 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.102 1.777 0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.355 0.392 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.775 1.336 1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.321 1.747 0.868 1.00 0.00 H new ATOM 1111 N LYS A 73 3.719 6.253 1.029 1.00 0.00 N ATOM 1112 CA LYS A 73 3.705 7.703 1.064 1.00 0.00 C ATOM 1113 C LYS A 73 3.316 8.205 -0.318 1.00 0.00 C ATOM 1114 O LYS A 73 4.112 8.157 -1.256 1.00 0.00 O ATOM 1115 CB LYS A 73 5.076 8.269 1.436 1.00 0.00 C ATOM 1116 CG LYS A 73 5.626 7.776 2.767 1.00 0.00 C ATOM 1117 CD LYS A 73 7.050 8.271 2.982 1.00 0.00 C ATOM 1118 CE LYS A 73 7.635 7.773 4.296 1.00 0.00 C ATOM 1119 NZ LYS A 73 6.952 8.361 5.477 1.00 0.00 N ATOM 0 H LYS A 73 4.185 5.868 0.207 1.00 0.00 H new ATOM 0 HA LYS A 73 2.992 8.031 1.820 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.785 8.015 0.648 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.009 9.357 1.466 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.989 8.124 3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.608 6.686 2.792 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.678 7.937 2.156 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.060 9.361 2.971 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.556 6.687 4.337 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.697 8.017 4.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.448 8.073 6.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.960 9.398 5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.969 8.024 5.513 1.00 0.00 H new ATOM 1133 N ALA A 74 2.091 8.657 -0.444 1.00 0.00 N ATOM 1134 CA ALA A 74 1.560 9.036 -1.740 1.00 0.00 C ATOM 1135 C ALA A 74 1.576 10.546 -1.918 1.00 0.00 C ATOM 1136 O ALA A 74 0.737 11.254 -1.368 1.00 0.00 O ATOM 1137 CB ALA A 74 0.152 8.489 -1.902 1.00 0.00 C ATOM 0 H ALA A 74 1.440 8.773 0.333 1.00 0.00 H new ATOM 0 HA ALA A 74 2.196 8.606 -2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.240 8.777 -2.877 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.173 7.402 -1.826 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.488 8.895 -1.119 1.00 0.00 H new ATOM 1143 N GLN A 75 2.552 11.035 -2.671 1.00 0.00 N ATOM 1144 CA GLN A 75 2.664 12.452 -2.962 1.00 0.00 C ATOM 1145 C GLN A 75 3.103 12.650 -4.408 1.00 0.00 C ATOM 1146 O GLN A 75 3.741 13.644 -4.755 1.00 0.00 O ATOM 1147 CB GLN A 75 3.664 13.098 -2.000 1.00 0.00 C ATOM 1148 CG GLN A 75 5.033 12.432 -1.997 1.00 0.00 C ATOM 1149 CD GLN A 75 5.989 13.073 -1.010 1.00 0.00 C ATOM 1150 OE1 GLN A 75 5.903 14.266 -0.724 1.00 0.00 O ATOM 1151 NE2 GLN A 75 6.914 12.283 -0.491 1.00 0.00 N ATOM 0 H GLN A 75 3.283 10.462 -3.094 1.00 0.00 H new ATOM 0 HA GLN A 75 1.693 12.929 -2.828 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.782 14.149 -2.265 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.254 13.068 -0.991 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.919 11.376 -1.754 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.461 12.484 -2.998 1.00 0.00 H new ATOM 0 HE21 GLN A 75 6.951 11.298 -0.755 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.591 12.658 0.173 1.00 0.00 H new ATOM 1160 N GLN A 76 2.735 11.700 -5.255 1.00 0.00 N ATOM 1161 CA GLN A 76 3.147 11.707 -6.649 1.00 0.00 C ATOM 1162 C GLN A 76 2.191 12.522 -7.514 1.00 0.00 C ATOM 1163 O GLN A 76 2.578 13.046 -8.558 1.00 0.00 O ATOM 1164 CB GLN A 76 3.225 10.273 -7.171 1.00 0.00 C ATOM 1165 CG GLN A 76 4.616 9.661 -7.112 1.00 0.00 C ATOM 1166 CD GLN A 76 5.207 9.638 -5.715 1.00 0.00 C ATOM 1167 OE1 GLN A 76 4.998 8.694 -4.953 1.00 0.00 O ATOM 1168 NE2 GLN A 76 5.964 10.671 -5.376 1.00 0.00 N ATOM 0 H GLN A 76 2.146 10.908 -4.997 1.00 0.00 H new ATOM 0 HA GLN A 76 4.130 12.175 -6.706 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.542 9.651 -6.593 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.876 10.255 -8.204 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.573 8.642 -7.497 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.280 10.222 -7.770 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.112 11.433 -6.037 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.399 10.704 -4.454 1.00 0.00 H new ATOM 1177 N TYR A 77 0.947 12.631 -7.076 1.00 0.00 N ATOM 1178 CA TYR A 77 -0.074 13.306 -7.857 1.00 0.00 C ATOM 1179 C TYR A 77 -0.487 14.612 -7.187 1.00 0.00 C ATOM 1180 O TYR A 77 -0.182 14.841 -6.017 1.00 0.00 O ATOM 1181 CB TYR A 77 -1.288 12.393 -8.030 1.00 0.00 C ATOM 1182 CG TYR A 77 -1.999 12.580 -9.349 1.00 0.00 C ATOM 1183 CD1 TYR A 77 -1.525 11.965 -10.498 1.00 0.00 C ATOM 1184 CD2 TYR A 77 -3.142 13.363 -9.449 1.00 0.00 C ATOM 1185 CE1 TYR A 77 -2.165 12.122 -11.710 1.00 0.00 C ATOM 1186 CE2 TYR A 77 -3.789 13.525 -10.660 1.00 0.00 C ATOM 1187 CZ TYR A 77 -3.296 12.901 -11.786 1.00 0.00 C ATOM 1188 OH TYR A 77 -3.940 13.053 -12.991 1.00 0.00 O ATOM 0 H TYR A 77 0.621 12.260 -6.183 1.00 0.00 H new ATOM 0 HA TYR A 77 0.337 13.540 -8.839 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.967 11.355 -7.943 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -1.991 12.579 -7.218 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.638 11.351 -10.443 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -3.531 13.852 -8.568 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.780 11.636 -12.594 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.676 14.137 -10.724 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.722 13.632 -12.873 1.00 0.00 H new ATOM 1198 N ARG A 78 -1.185 15.453 -7.942 1.00 0.00 N ATOM 1199 CA ARG A 78 -1.611 16.766 -7.468 1.00 0.00 C ATOM 1200 C ARG A 78 -2.592 16.655 -6.303 1.00 0.00 C ATOM 1201 O ARG A 78 -2.419 17.304 -5.270 1.00 0.00 O ATOM 1202 CB ARG A 78 -2.276 17.540 -8.608 1.00 0.00 C ATOM 1203 CG ARG A 78 -2.637 18.970 -8.245 1.00 0.00 C ATOM 1204 CD ARG A 78 -3.505 19.619 -9.311 1.00 0.00 C ATOM 1205 NE ARG A 78 -3.652 21.054 -9.089 1.00 0.00 N ATOM 1206 CZ ARG A 78 -4.806 21.717 -9.171 1.00 0.00 C ATOM 1207 NH1 ARG A 78 -5.947 21.069 -9.374 1.00 0.00 N ATOM 1208 NH2 ARG A 78 -4.819 23.036 -9.035 1.00 0.00 N ATOM 0 H ARG A 78 -1.471 15.245 -8.899 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.723 17.294 -7.121 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.606 17.551 -9.468 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.180 17.013 -8.915 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.163 18.981 -7.291 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.726 19.553 -8.113 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.065 19.446 -10.293 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.488 19.149 -9.315 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.814 21.587 -8.855 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.947 20.053 -9.469 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.824 21.587 -9.435 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.948 23.540 -8.868 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.700 23.546 -9.097 1.00 0.00 H new ATOM 1222 N THR A 79 -3.622 15.844 -6.478 1.00 0.00 N ATOM 1223 CA THR A 79 -4.700 15.758 -5.509 1.00 0.00 C ATOM 1224 C THR A 79 -4.553 14.551 -4.585 1.00 0.00 C ATOM 1225 O THR A 79 -4.169 13.459 -5.017 1.00 0.00 O ATOM 1226 CB THR A 79 -6.062 15.706 -6.222 1.00 0.00 C ATOM 1227 OG1 THR A 79 -5.948 14.942 -7.434 1.00 0.00 O ATOM 1228 CG2 THR A 79 -6.560 17.108 -6.542 1.00 0.00 C ATOM 0 H THR A 79 -3.734 15.233 -7.287 1.00 0.00 H new ATOM 0 HA THR A 79 -4.645 16.655 -4.892 1.00 0.00 H new ATOM 0 HB THR A 79 -6.781 15.228 -5.556 1.00 0.00 H new ATOM 0 HG1 THR A 79 -6.806 14.512 -7.632 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.525 17.045 -7.046 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.670 17.675 -5.618 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.843 17.609 -7.192 1.00 0.00 H new ATOM 1236 N GLN A 80 -4.863 14.771 -3.311 1.00 0.00 N ATOM 1237 CA GLN A 80 -4.814 13.730 -2.287 1.00 0.00 C ATOM 1238 C GLN A 80 -5.643 12.507 -2.679 1.00 0.00 C ATOM 1239 O GLN A 80 -5.231 11.365 -2.463 1.00 0.00 O ATOM 1240 CB GLN A 80 -5.341 14.283 -0.963 1.00 0.00 C ATOM 1241 CG GLN A 80 -4.437 15.309 -0.302 1.00 0.00 C ATOM 1242 CD GLN A 80 -5.065 15.916 0.940 1.00 0.00 C ATOM 1243 OE1 GLN A 80 -5.886 15.284 1.608 1.00 0.00 O ATOM 1244 NE2 GLN A 80 -4.675 17.138 1.270 1.00 0.00 N ATOM 0 H GLN A 80 -5.157 15.681 -2.957 1.00 0.00 H new ATOM 0 HA GLN A 80 -3.774 13.420 -2.184 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.317 14.736 -1.136 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -5.493 13.453 -0.273 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -3.491 14.838 -0.035 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -4.208 16.101 -1.015 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.993 17.629 0.692 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.056 17.588 2.102 1.00 0.00 H new ATOM 1253 N GLU A 81 -6.813 12.756 -3.254 1.00 0.00 N ATOM 1254 CA GLU A 81 -7.734 11.688 -3.616 1.00 0.00 C ATOM 1255 C GLU A 81 -7.107 10.761 -4.655 1.00 0.00 C ATOM 1256 O GLU A 81 -7.253 9.538 -4.583 1.00 0.00 O ATOM 1257 CB GLU A 81 -9.044 12.265 -4.161 1.00 0.00 C ATOM 1258 CG GLU A 81 -9.541 13.503 -3.426 1.00 0.00 C ATOM 1259 CD GLU A 81 -8.988 14.788 -4.012 1.00 0.00 C ATOM 1260 OE1 GLU A 81 -7.870 15.188 -3.630 1.00 0.00 O ATOM 1261 OE2 GLU A 81 -9.668 15.389 -4.867 1.00 0.00 O ATOM 0 H GLU A 81 -7.147 13.693 -3.480 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.949 11.113 -2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.907 12.513 -5.214 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.814 11.495 -4.112 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.630 13.530 -3.462 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.259 13.436 -2.375 1.00 0.00 H new ATOM 1268 N GLN A 82 -6.399 11.348 -5.608 1.00 0.00 N ATOM 1269 CA GLN A 82 -5.735 10.578 -6.646 1.00 0.00 C ATOM 1270 C GLN A 82 -4.490 9.905 -6.090 1.00 0.00 C ATOM 1271 O GLN A 82 -4.127 8.813 -6.516 1.00 0.00 O ATOM 1272 CB GLN A 82 -5.385 11.462 -7.845 1.00 0.00 C ATOM 1273 CG GLN A 82 -6.523 11.642 -8.847 1.00 0.00 C ATOM 1274 CD GLN A 82 -7.810 12.139 -8.212 1.00 0.00 C ATOM 1275 OE1 GLN A 82 -8.014 13.343 -8.062 1.00 0.00 O ATOM 1276 NE2 GLN A 82 -8.695 11.222 -7.853 1.00 0.00 N ATOM 0 H GLN A 82 -6.270 12.357 -5.683 1.00 0.00 H new ATOM 0 HA GLN A 82 -6.422 9.805 -6.991 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.079 12.443 -7.481 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.527 11.031 -8.361 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.211 12.346 -9.618 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.715 10.691 -9.343 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.490 10.233 -7.993 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.582 11.505 -7.436 1.00 0.00 H new ATOM 1285 N ASN A 83 -3.843 10.560 -5.130 1.00 0.00 N ATOM 1286 CA ASN A 83 -2.700 9.967 -4.438 1.00 0.00 C ATOM 1287 C ASN A 83 -3.115 8.699 -3.704 1.00 0.00 C ATOM 1288 O ASN A 83 -2.365 7.726 -3.663 1.00 0.00 O ATOM 1289 CB ASN A 83 -2.063 10.963 -3.464 1.00 0.00 C ATOM 1290 CG ASN A 83 -1.011 11.823 -4.134 1.00 0.00 C ATOM 1291 OD1 ASN A 83 -0.322 11.373 -5.052 1.00 0.00 O ATOM 1292 ND2 ASN A 83 -0.863 13.058 -3.681 1.00 0.00 N ATOM 0 H ASN A 83 -4.089 11.498 -4.814 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.955 9.707 -5.190 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.838 11.603 -3.042 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -1.611 10.419 -2.634 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -0.160 13.672 -4.093 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.452 13.396 -2.920 1.00 0.00 H new ATOM 1299 N ARG A 84 -4.319 8.705 -3.138 1.00 0.00 N ATOM 1300 CA ARG A 84 -4.862 7.514 -2.498 1.00 0.00 C ATOM 1301 C ARG A 84 -5.022 6.378 -3.507 1.00 0.00 C ATOM 1302 O ARG A 84 -4.735 5.221 -3.203 1.00 0.00 O ATOM 1303 CB ARG A 84 -6.205 7.829 -1.834 1.00 0.00 C ATOM 1304 CG ARG A 84 -6.087 8.223 -0.369 1.00 0.00 C ATOM 1305 CD ARG A 84 -7.436 8.600 0.215 1.00 0.00 C ATOM 1306 NE ARG A 84 -7.423 8.632 1.680 1.00 0.00 N ATOM 1307 CZ ARG A 84 -8.432 9.099 2.417 1.00 0.00 C ATOM 1308 NH1 ARG A 84 -9.437 9.739 1.832 1.00 0.00 N ATOM 1309 NH2 ARG A 84 -8.417 8.971 3.742 1.00 0.00 N ATOM 0 H ARG A 84 -4.934 9.519 -3.110 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.159 7.191 -1.730 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.689 8.638 -2.381 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.854 6.957 -1.915 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -5.662 7.395 0.199 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.399 9.063 -0.271 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.732 9.578 -0.164 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.187 7.886 -0.123 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.597 8.278 2.163 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.437 9.873 0.821 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.210 10.097 2.394 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.630 8.513 4.201 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.193 9.331 4.298 1.00 0.00 H new ATOM 1323 N ALA A 85 -5.457 6.718 -4.713 1.00 0.00 N ATOM 1324 CA ALA A 85 -5.639 5.730 -5.771 1.00 0.00 C ATOM 1325 C ALA A 85 -4.291 5.225 -6.277 1.00 0.00 C ATOM 1326 O ALA A 85 -4.118 4.034 -6.540 1.00 0.00 O ATOM 1327 CB ALA A 85 -6.449 6.324 -6.915 1.00 0.00 C ATOM 0 H ALA A 85 -5.691 7.673 -4.985 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.187 4.883 -5.359 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.577 5.576 -7.697 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.427 6.634 -6.546 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.924 7.188 -7.322 1.00 0.00 H new ATOM 1333 N ASP A 86 -3.336 6.146 -6.402 1.00 0.00 N ATOM 1334 CA ASP A 86 -1.975 5.813 -6.821 1.00 0.00 C ATOM 1335 C ASP A 86 -1.373 4.773 -5.889 1.00 0.00 C ATOM 1336 O ASP A 86 -0.828 3.758 -6.328 1.00 0.00 O ATOM 1337 CB ASP A 86 -1.099 7.071 -6.807 1.00 0.00 C ATOM 1338 CG ASP A 86 0.307 6.820 -7.321 1.00 0.00 C ATOM 1339 OD1 ASP A 86 1.188 6.459 -6.513 1.00 0.00 O ATOM 1340 OD2 ASP A 86 0.538 7.001 -8.534 1.00 0.00 O ATOM 0 H ASP A 86 -3.482 7.138 -6.217 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.016 5.407 -7.832 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.570 7.842 -7.416 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.044 7.458 -5.789 1.00 0.00 H new ATOM 1345 N ALA A 87 -1.506 5.033 -4.599 1.00 0.00 N ATOM 1346 CA ALA A 87 -0.997 4.137 -3.571 1.00 0.00 C ATOM 1347 C ALA A 87 -1.616 2.747 -3.680 1.00 0.00 C ATOM 1348 O ALA A 87 -0.935 1.745 -3.478 1.00 0.00 O ATOM 1349 CB ALA A 87 -1.243 4.728 -2.198 1.00 0.00 C ATOM 0 H ALA A 87 -1.967 5.867 -4.235 1.00 0.00 H new ATOM 0 HA ALA A 87 0.077 4.026 -3.721 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.859 4.050 -1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.734 5.689 -2.119 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.313 4.871 -2.050 1.00 0.00 H new ATOM 1355 N LEU A 88 -2.901 2.689 -4.012 1.00 0.00 N ATOM 1356 CA LEU A 88 -3.589 1.414 -4.186 1.00 0.00 C ATOM 1357 C LEU A 88 -3.063 0.675 -5.412 1.00 0.00 C ATOM 1358 O LEU A 88 -2.874 -0.542 -5.382 1.00 0.00 O ATOM 1359 CB LEU A 88 -5.098 1.634 -4.316 1.00 0.00 C ATOM 1360 CG LEU A 88 -5.791 2.179 -3.067 1.00 0.00 C ATOM 1361 CD1 LEU A 88 -7.257 2.462 -3.356 1.00 0.00 C ATOM 1362 CD2 LEU A 88 -5.656 1.196 -1.912 1.00 0.00 C ATOM 0 H LEU A 88 -3.487 3.509 -4.166 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.395 0.803 -3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.278 2.324 -5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.564 0.686 -4.585 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.308 3.114 -2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.737 2.849 -2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.335 3.199 -4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.752 1.541 -3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.155 1.599 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.116 0.247 -2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.601 1.037 -1.691 1.00 0.00 H new ATOM 1374 N LEU A 89 -2.816 1.422 -6.481 1.00 0.00 N ATOM 1375 CA LEU A 89 -2.314 0.852 -7.726 1.00 0.00 C ATOM 1376 C LEU A 89 -0.941 0.221 -7.499 1.00 0.00 C ATOM 1377 O LEU A 89 -0.724 -0.950 -7.816 1.00 0.00 O ATOM 1378 CB LEU A 89 -2.250 1.948 -8.804 1.00 0.00 C ATOM 1379 CG LEU A 89 -2.041 1.474 -10.249 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -2.463 2.561 -11.225 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -0.587 1.096 -10.504 1.00 0.00 C ATOM 0 H LEU A 89 -2.956 2.432 -6.511 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.990 0.069 -8.068 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.176 2.521 -8.763 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.440 2.632 -8.548 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.658 0.588 -10.400 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.310 2.212 -12.246 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.517 2.795 -11.076 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.865 3.456 -11.054 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.473 0.765 -11.536 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.050 1.963 -10.328 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.297 0.290 -9.830 1.00 0.00 H new ATOM 1393 N ARG A 90 -0.026 0.993 -6.925 1.00 0.00 N ATOM 1394 CA ARG A 90 1.334 0.518 -6.688 1.00 0.00 C ATOM 1395 C ARG A 90 1.349 -0.599 -5.640 1.00 0.00 C ATOM 1396 O ARG A 90 2.223 -1.465 -5.658 1.00 0.00 O ATOM 1397 CB ARG A 90 2.245 1.684 -6.278 1.00 0.00 C ATOM 1398 CG ARG A 90 1.787 2.417 -5.028 1.00 0.00 C ATOM 1399 CD ARG A 90 2.197 3.881 -5.051 1.00 0.00 C ATOM 1400 NE ARG A 90 3.644 4.069 -4.998 1.00 0.00 N ATOM 1401 CZ ARG A 90 4.235 5.263 -5.027 1.00 0.00 C ATOM 1402 NH1 ARG A 90 3.524 6.361 -5.251 1.00 0.00 N ATOM 1403 NH2 ARG A 90 5.551 5.353 -4.891 1.00 0.00 N ATOM 0 H ARG A 90 -0.199 1.949 -6.615 1.00 0.00 H new ATOM 0 HA ARG A 90 1.721 0.099 -7.617 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.253 1.304 -6.115 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.302 2.394 -7.103 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.703 2.344 -4.940 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.211 1.934 -4.147 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.808 4.347 -5.956 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.738 4.394 -4.206 1.00 0.00 H new ATOM 0 HE ARG A 90 4.235 3.240 -4.935 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.517 6.295 -5.403 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.984 7.271 -5.272 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.110 4.509 -4.764 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.005 6.266 -4.913 1.00 0.00 H new ATOM 1417 N LEU A 91 0.367 -0.578 -4.742 1.00 0.00 N ATOM 1418 CA LEU A 91 0.222 -1.617 -3.729 1.00 0.00 C ATOM 1419 C LEU A 91 -0.114 -2.950 -4.397 1.00 0.00 C ATOM 1420 O LEU A 91 0.531 -3.965 -4.141 1.00 0.00 O ATOM 1421 CB LEU A 91 -0.874 -1.215 -2.726 1.00 0.00 C ATOM 1422 CG LEU A 91 -0.869 -1.950 -1.379 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -1.679 -1.167 -0.362 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -1.434 -3.355 -1.515 1.00 0.00 C ATOM 0 H LEU A 91 -0.343 0.152 -4.697 1.00 0.00 H new ATOM 0 HA LEU A 91 1.161 -1.731 -3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.784 -0.146 -2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.844 -1.373 -3.198 1.00 0.00 H new ATOM 0 HG LEU A 91 0.164 -2.031 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.672 -1.694 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.242 -0.177 -0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.706 -1.067 -0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.417 -3.850 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.461 -3.301 -1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.830 -3.923 -2.222 1.00 0.00 H new ATOM 1436 N SER A 92 -1.119 -2.929 -5.265 1.00 0.00 N ATOM 1437 CA SER A 92 -1.537 -4.130 -5.979 1.00 0.00 C ATOM 1438 C SER A 92 -0.440 -4.603 -6.928 1.00 0.00 C ATOM 1439 O SER A 92 -0.267 -5.807 -7.137 1.00 0.00 O ATOM 1440 CB SER A 92 -2.832 -3.870 -6.755 1.00 0.00 C ATOM 1441 OG SER A 92 -3.277 -5.043 -7.418 1.00 0.00 O ATOM 0 H SER A 92 -1.659 -2.094 -5.491 1.00 0.00 H new ATOM 0 HA SER A 92 -1.721 -4.915 -5.245 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.605 -3.520 -6.071 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.669 -3.076 -7.484 1.00 0.00 H new ATOM 0 HG SER A 92 -4.106 -4.850 -7.904 1.00 0.00 H new ATOM 1447 N GLU A 93 0.283 -3.648 -7.496 1.00 0.00 N ATOM 1448 CA GLU A 93 1.408 -3.943 -8.370 1.00 0.00 C ATOM 1449 C GLU A 93 2.439 -4.760 -7.602 1.00 0.00 C ATOM 1450 O GLU A 93 2.858 -5.825 -8.046 1.00 0.00 O ATOM 1451 CB GLU A 93 2.023 -2.631 -8.877 1.00 0.00 C ATOM 1452 CG GLU A 93 2.745 -2.724 -10.208 1.00 0.00 C ATOM 1453 CD GLU A 93 4.084 -3.407 -10.111 1.00 0.00 C ATOM 1454 OE1 GLU A 93 4.880 -3.034 -9.224 1.00 0.00 O ATOM 1455 OE2 GLU A 93 4.352 -4.311 -10.925 1.00 0.00 O ATOM 0 H GLU A 93 0.107 -2.652 -7.364 1.00 0.00 H new ATOM 0 HA GLU A 93 1.070 -4.521 -9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.231 -1.887 -8.964 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.724 -2.264 -8.127 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.119 -3.266 -10.917 1.00 0.00 H new ATOM 0 HG3 GLU A 93 2.885 -1.720 -10.609 1.00 0.00 H new ATOM 1462 N LEU A 94 2.797 -4.259 -6.424 1.00 0.00 N ATOM 1463 CA LEU A 94 3.772 -4.909 -5.555 1.00 0.00 C ATOM 1464 C LEU A 94 3.395 -6.372 -5.311 1.00 0.00 C ATOM 1465 O LEU A 94 4.223 -7.266 -5.473 1.00 0.00 O ATOM 1466 CB LEU A 94 3.845 -4.138 -4.225 1.00 0.00 C ATOM 1467 CG LEU A 94 5.074 -4.397 -3.336 1.00 0.00 C ATOM 1468 CD1 LEU A 94 5.162 -3.338 -2.251 1.00 0.00 C ATOM 1469 CD2 LEU A 94 5.023 -5.777 -2.693 1.00 0.00 C ATOM 0 H LEU A 94 2.419 -3.391 -6.045 1.00 0.00 H new ATOM 0 HA LEU A 94 4.749 -4.898 -6.037 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.807 -3.072 -4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.952 -4.375 -3.646 1.00 0.00 H new ATOM 0 HG LEU A 94 5.957 -4.351 -3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.035 -3.529 -1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.253 -2.353 -2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.262 -3.371 -1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.908 -5.922 -2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.129 -5.857 -2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.996 -6.540 -3.471 1.00 0.00 H new ATOM 1481 N ILE A 95 2.136 -6.601 -4.950 1.00 0.00 N ATOM 1482 CA ILE A 95 1.663 -7.938 -4.596 1.00 0.00 C ATOM 1483 C ILE A 95 1.904 -8.945 -5.721 1.00 0.00 C ATOM 1484 O ILE A 95 2.493 -10.003 -5.501 1.00 0.00 O ATOM 1485 CB ILE A 95 0.159 -7.918 -4.236 1.00 0.00 C ATOM 1486 CG1 ILE A 95 -0.087 -7.006 -3.030 1.00 0.00 C ATOM 1487 CG2 ILE A 95 -0.349 -9.325 -3.947 1.00 0.00 C ATOM 1488 CD1 ILE A 95 -1.547 -6.892 -2.640 1.00 0.00 C ATOM 0 H ILE A 95 1.421 -5.875 -4.894 1.00 0.00 H new ATOM 0 HA ILE A 95 2.237 -8.253 -3.725 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.391 -7.526 -5.091 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.479 -7.384 -2.179 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.299 -6.011 -3.253 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.409 -9.285 -3.696 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.208 -9.951 -4.828 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.206 -9.747 -3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.643 -6.231 -1.779 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.116 -6.485 -3.476 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.933 -7.879 -2.384 1.00 0.00 H new ATOM 1500 N VAL A 96 1.479 -8.602 -6.925 1.00 0.00 N ATOM 1501 CA VAL A 96 1.572 -9.519 -8.056 1.00 0.00 C ATOM 1502 C VAL A 96 3.001 -9.590 -8.598 1.00 0.00 C ATOM 1503 O VAL A 96 3.490 -10.662 -8.962 1.00 0.00 O ATOM 1504 CB VAL A 96 0.613 -9.094 -9.190 1.00 0.00 C ATOM 1505 CG1 VAL A 96 0.652 -10.087 -10.343 1.00 0.00 C ATOM 1506 CG2 VAL A 96 -0.804 -8.946 -8.662 1.00 0.00 C ATOM 0 H VAL A 96 1.066 -7.696 -7.148 1.00 0.00 H new ATOM 0 HA VAL A 96 1.285 -10.507 -7.695 1.00 0.00 H new ATOM 0 HB VAL A 96 0.946 -8.127 -9.567 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.033 -9.762 -11.126 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.664 -10.139 -10.744 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.353 -11.072 -9.985 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.466 -8.646 -9.475 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.141 -9.898 -8.252 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.823 -8.187 -7.880 1.00 0.00 H new ATOM 1516 N ASN A 97 3.662 -8.446 -8.626 1.00 0.00 N ATOM 1517 CA ASN A 97 4.973 -8.311 -9.233 1.00 0.00 C ATOM 1518 C ASN A 97 6.059 -8.977 -8.395 1.00 0.00 C ATOM 1519 O ASN A 97 6.893 -9.723 -8.914 1.00 0.00 O ATOM 1520 CB ASN A 97 5.263 -6.826 -9.385 1.00 0.00 C ATOM 1521 CG ASN A 97 6.488 -6.517 -10.198 1.00 0.00 C ATOM 1522 OD1 ASN A 97 6.923 -7.307 -11.041 1.00 0.00 O ATOM 1523 ND2 ASN A 97 7.025 -5.337 -9.972 1.00 0.00 N ATOM 0 H ASN A 97 3.301 -7.580 -8.226 1.00 0.00 H new ATOM 0 HA ASN A 97 4.974 -8.810 -10.202 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.402 -6.345 -9.849 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.378 -6.387 -8.394 1.00 0.00 H new ATOM 0 HD21 ASN A 97 7.841 -5.037 -10.506 1.00 0.00 H new ATOM 0 HD22 ASN A 97 6.625 -4.722 -9.263 1.00 0.00 H new ATOM 1530 N ALA A 98 6.040 -8.717 -7.096 1.00 0.00 N ATOM 1531 CA ALA A 98 7.077 -9.212 -6.201 1.00 0.00 C ATOM 1532 C ALA A 98 6.908 -10.702 -5.908 1.00 0.00 C ATOM 1533 O ALA A 98 7.866 -11.382 -5.545 1.00 0.00 O ATOM 1534 CB ALA A 98 7.081 -8.405 -4.913 1.00 0.00 C ATOM 0 H ALA A 98 5.316 -8.165 -6.637 1.00 0.00 H new ATOM 0 HA ALA A 98 8.039 -9.090 -6.699 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.859 -8.782 -4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 98 7.275 -7.357 -5.141 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.112 -8.497 -4.423 1.00 0.00 H new ATOM 1540 N ALA A 99 5.696 -11.213 -6.093 1.00 0.00 N ATOM 1541 CA ALA A 99 5.412 -12.625 -5.845 1.00 0.00 C ATOM 1542 C ALA A 99 6.000 -13.508 -6.948 1.00 0.00 C ATOM 1543 O ALA A 99 5.925 -14.737 -6.882 1.00 0.00 O ATOM 1544 CB ALA A 99 3.914 -12.849 -5.729 1.00 0.00 C ATOM 0 H ALA A 99 4.893 -10.672 -6.414 1.00 0.00 H new ATOM 0 HA ALA A 99 5.884 -12.905 -4.903 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.717 -13.905 -5.544 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.520 -12.257 -4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 99 3.428 -12.546 -6.656 1.00 0.00 H new ATOM 1550 N LYS A 100 6.586 -12.876 -7.954 1.00 0.00 N ATOM 1551 CA LYS A 100 7.192 -13.596 -9.067 1.00 0.00 C ATOM 1552 C LYS A 100 8.669 -13.867 -8.807 1.00 0.00 C ATOM 1553 O LYS A 100 9.302 -14.653 -9.515 1.00 0.00 O ATOM 1554 CB LYS A 100 7.048 -12.792 -10.357 1.00 0.00 C ATOM 1555 CG LYS A 100 5.612 -12.594 -10.804 1.00 0.00 C ATOM 1556 CD LYS A 100 5.533 -11.683 -12.013 1.00 0.00 C ATOM 1557 CE LYS A 100 4.096 -11.441 -12.441 1.00 0.00 C ATOM 1558 NZ LYS A 100 4.011 -10.480 -13.571 1.00 0.00 N ATOM 0 H LYS A 100 6.655 -11.861 -8.023 1.00 0.00 H new ATOM 0 HA LYS A 100 6.673 -14.549 -9.168 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.512 -11.816 -10.218 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.598 -13.297 -11.151 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.167 -13.560 -11.044 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.030 -12.169 -9.987 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.009 -10.730 -11.782 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.089 -12.126 -12.839 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.640 -12.387 -12.733 1.00 0.00 H new ATOM 0 HE3 LYS A 100 3.524 -11.059 -11.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.015 -10.341 -13.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 4.424 -9.569 -13.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 4.535 -10.856 -14.387 1.00 0.00 H new ATOM 1572 N LEU A 101 9.206 -13.206 -7.796 1.00 0.00 N ATOM 1573 CA LEU A 101 10.624 -13.293 -7.474 1.00 0.00 C ATOM 1574 C LEU A 101 11.019 -14.693 -7.010 1.00 0.00 C ATOM 1575 O LEU A 101 10.699 -15.104 -5.894 1.00 0.00 O ATOM 1576 CB LEU A 101 10.976 -12.271 -6.394 1.00 0.00 C ATOM 1577 CG LEU A 101 10.797 -10.805 -6.796 1.00 0.00 C ATOM 1578 CD1 LEU A 101 11.125 -9.890 -5.627 1.00 0.00 C ATOM 1579 CD2 LEU A 101 11.666 -10.466 -7.999 1.00 0.00 C ATOM 0 H LEU A 101 8.675 -12.595 -7.175 1.00 0.00 H new ATOM 0 HA LEU A 101 11.182 -13.076 -8.385 1.00 0.00 H new ATOM 0 HB2 LEU A 101 10.360 -12.468 -5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 101 12.013 -12.425 -6.096 1.00 0.00 H new ATOM 0 HG LEU A 101 9.754 -10.651 -7.074 1.00 0.00 H new ATOM 0 HD11 LEU A 101 10.993 -8.851 -5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 101 10.459 -10.113 -4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 101 12.158 -10.049 -5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.523 -9.419 -8.268 1.00 0.00 H new ATOM 0 HD22 LEU A 101 12.714 -10.637 -7.751 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.384 -11.098 -8.841 1.00 0.00 H new