USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 911 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 55 GLN : amide:sc= -0.606 K(o=-0.59,f=1.3) USER MOD Set 1.2: A 57 TYR OH : rot 180:sc= 0.0171 USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.132 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.222 K(o=-0.22,f=-1.2) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 31:sc= 1.18 USER MOD Single : A 29 SER OG : rot 82:sc= 1.19 USER MOD Single : A 34 HIS : no HE2:sc= 0.186 K(o=0.19,f=-3.6!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0204 K(o=-0.02,f=-1.2) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0308 USER MOD Single : A 40 CYS SG : rot 35:sc= -0.231 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0.861 K(o=0.86,f=-0.087) USER MOD Single : A 61 LYS NZ :NH3+ -116:sc= 0.943 (180deg=-0.387) USER MOD Single : A 63 SER OG : rot 150:sc=-0.000748 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0.32) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -166:sc= 0 (180deg=-0.142) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 2:sc= 1.14 USER MOD Single : A 92 THR OG1 : rot 154:sc= 0.466 USER MOD Single : A 99 HIS : no HD1:sc= 0.0585 K(o=0.059,f=-2.1!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -0.59 K(o=-0.59,f=-2.5!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -0.0678 K(o=-0.068,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.939 -22.943 1.054 1.00 0.00 N ATOM 2 CA GLY A 1 0.442 -22.463 1.149 1.00 0.00 C ATOM 3 C GLY A 1 0.461 -20.955 1.277 1.00 0.00 C ATOM 4 O GLY A 1 -0.551 -20.386 1.685 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.082 -23.724 1.726 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.593 -22.167 1.281 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.124 -23.279 0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.934 -22.915 2.010 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.003 -22.768 0.265 1.00 0.00 H new ATOM 8 N HIS A 2 1.588 -20.323 0.917 1.00 0.00 N ATOM 9 CA HIS A 2 1.895 -18.898 1.110 1.00 0.00 C ATOM 10 C HIS A 2 1.983 -18.566 2.610 1.00 0.00 C ATOM 11 O HIS A 2 1.489 -19.308 3.461 1.00 0.00 O ATOM 12 CB HIS A 2 0.880 -18.021 0.360 1.00 0.00 C ATOM 13 CG HIS A 2 0.915 -18.173 -1.138 1.00 0.00 C ATOM 14 ND1 HIS A 2 1.664 -19.063 -1.881 1.00 0.00 N ATOM 15 CD2 HIS A 2 0.131 -17.475 -2.006 1.00 0.00 C ATOM 16 CE1 HIS A 2 1.298 -18.933 -3.166 1.00 0.00 C ATOM 17 NE2 HIS A 2 0.372 -17.969 -3.291 1.00 0.00 N ATOM 0 H HIS A 2 2.352 -20.820 0.458 1.00 0.00 H new ATOM 0 HA HIS A 2 2.873 -18.678 0.682 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -0.122 -18.262 0.714 1.00 0.00 H new ATOM 0 HB3 HIS A 2 1.064 -16.977 0.612 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -0.554 -16.681 -1.747 1.00 0.00 H new ATOM 0 HE1 HIS A 2 1.692 -19.520 -3.982 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -0.070 -17.658 -4.156 1.00 0.00 H new ATOM 25 N VAL A 3 2.600 -17.436 2.947 1.00 0.00 N ATOM 26 CA VAL A 3 2.676 -16.946 4.321 1.00 0.00 C ATOM 27 C VAL A 3 1.340 -16.283 4.619 1.00 0.00 C ATOM 28 O VAL A 3 0.758 -15.688 3.722 1.00 0.00 O ATOM 29 CB VAL A 3 3.834 -15.937 4.417 1.00 0.00 C ATOM 30 CG1 VAL A 3 3.980 -15.231 5.766 1.00 0.00 C ATOM 31 CG2 VAL A 3 5.159 -16.648 4.122 1.00 0.00 C ATOM 0 H VAL A 3 3.064 -16.831 2.270 1.00 0.00 H new ATOM 0 HA VAL A 3 2.864 -17.743 5.040 1.00 0.00 H new ATOM 0 HB VAL A 3 3.591 -15.168 3.684 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.824 -14.543 5.727 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.069 -14.675 5.986 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.151 -15.971 6.547 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.979 -15.933 4.190 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.313 -17.447 4.848 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.129 -17.071 3.118 1.00 0.00 H new ATOM 41 N GLN A 4 0.845 -16.338 5.850 1.00 0.00 N ATOM 42 CA GLN A 4 -0.295 -15.575 6.299 1.00 0.00 C ATOM 43 C GLN A 4 0.199 -14.300 6.956 1.00 0.00 C ATOM 44 O GLN A 4 1.141 -14.353 7.752 1.00 0.00 O ATOM 45 CB GLN A 4 -1.108 -16.421 7.282 1.00 0.00 C ATOM 46 CG GLN A 4 -2.577 -16.125 7.017 1.00 0.00 C ATOM 47 CD GLN A 4 -3.527 -16.692 8.072 1.00 0.00 C ATOM 48 OE1 GLN A 4 -3.144 -17.429 8.978 1.00 0.00 O ATOM 49 NE2 GLN A 4 -4.789 -16.316 8.002 1.00 0.00 N ATOM 0 H GLN A 4 1.242 -16.933 6.577 1.00 0.00 H new ATOM 0 HA GLN A 4 -0.937 -15.310 5.459 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.897 -17.481 7.143 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.845 -16.176 8.311 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.715 -15.045 6.962 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -2.849 -16.531 6.043 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -5.098 -15.704 7.247 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -5.456 -16.637 8.703 1.00 0.00 H new ATOM 58 N LEU A 5 -0.433 -13.166 6.646 1.00 0.00 N ATOM 59 CA LEU A 5 -0.073 -11.894 7.249 1.00 0.00 C ATOM 60 C LEU A 5 -1.309 -11.042 7.494 1.00 0.00 C ATOM 61 O LEU A 5 -2.291 -11.126 6.753 1.00 0.00 O ATOM 62 CB LEU A 5 0.940 -11.143 6.363 1.00 0.00 C ATOM 63 CG LEU A 5 2.389 -11.660 6.463 1.00 0.00 C ATOM 64 CD1 LEU A 5 3.267 -11.082 5.358 1.00 0.00 C ATOM 65 CD2 LEU A 5 3.022 -11.348 7.820 1.00 0.00 C ATOM 0 H LEU A 5 -1.200 -13.110 5.976 1.00 0.00 H new ATOM 0 HA LEU A 5 0.396 -12.094 8.213 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.615 -11.211 5.325 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.926 -10.087 6.633 1.00 0.00 H new ATOM 0 HG LEU A 5 2.330 -12.742 6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.281 -11.468 5.460 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.865 -11.369 4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.283 -9.995 5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.042 -11.732 7.842 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.036 -10.269 7.975 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.439 -11.821 8.611 1.00 0.00 H new ATOM 77 N SER A 6 -1.234 -10.183 8.506 1.00 0.00 N ATOM 78 CA SER A 6 -2.285 -9.251 8.894 1.00 0.00 C ATOM 79 C SER A 6 -1.783 -7.817 8.734 1.00 0.00 C ATOM 80 O SER A 6 -0.570 -7.581 8.749 1.00 0.00 O ATOM 81 CB SER A 6 -2.771 -9.529 10.332 1.00 0.00 C ATOM 82 OG SER A 6 -2.209 -10.688 10.928 1.00 0.00 O ATOM 0 H SER A 6 -0.408 -10.115 9.100 1.00 0.00 H new ATOM 0 HA SER A 6 -3.144 -9.390 8.238 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.537 -8.666 10.955 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.856 -9.630 10.322 1.00 0.00 H new ATOM 0 HG SER A 6 -2.564 -10.794 11.835 1.00 0.00 H new ATOM 88 N LEU A 7 -2.698 -6.858 8.600 1.00 0.00 N ATOM 89 CA LEU A 7 -2.424 -5.417 8.647 1.00 0.00 C ATOM 90 C LEU A 7 -3.569 -4.735 9.396 1.00 0.00 C ATOM 91 O LEU A 7 -4.670 -5.293 9.397 1.00 0.00 O ATOM 92 CB LEU A 7 -2.365 -4.825 7.223 1.00 0.00 C ATOM 93 CG LEU A 7 -1.122 -5.221 6.414 1.00 0.00 C ATOM 94 CD1 LEU A 7 -1.266 -4.719 4.978 1.00 0.00 C ATOM 95 CD2 LEU A 7 0.179 -4.657 6.998 1.00 0.00 C ATOM 0 H LEU A 7 -3.685 -7.067 8.450 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.467 -5.255 9.143 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.253 -5.141 6.676 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.404 -3.738 7.294 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.059 -6.309 6.450 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.383 -5.000 4.404 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.151 -5.164 4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.366 -3.634 4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.021 -4.972 6.382 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.129 -3.568 7.014 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.313 -5.029 8.014 1.00 0.00 H new ATOM 107 N PRO A 8 -3.356 -3.539 9.966 1.00 0.00 N ATOM 108 CA PRO A 8 -4.432 -2.671 10.413 1.00 0.00 C ATOM 109 C PRO A 8 -5.143 -2.075 9.194 1.00 0.00 C ATOM 110 O PRO A 8 -4.615 -2.093 8.079 1.00 0.00 O ATOM 111 CB PRO A 8 -3.741 -1.586 11.242 1.00 0.00 C ATOM 112 CG PRO A 8 -2.396 -1.426 10.545 1.00 0.00 C ATOM 113 CD PRO A 8 -2.082 -2.846 10.078 1.00 0.00 C ATOM 0 HA PRO A 8 -5.190 -3.192 10.998 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.309 -0.655 11.242 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.623 -1.887 12.283 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.455 -0.730 9.709 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.632 -1.046 11.223 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.563 -2.833 9.120 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.427 -3.351 10.788 1.00 0.00 H new ATOM 121 N VAL A 9 -6.311 -1.489 9.420 1.00 0.00 N ATOM 122 CA VAL A 9 -7.116 -0.779 8.443 1.00 0.00 C ATOM 123 C VAL A 9 -7.342 0.595 9.042 1.00 0.00 C ATOM 124 O VAL A 9 -7.812 0.708 10.178 1.00 0.00 O ATOM 125 CB VAL A 9 -8.448 -1.496 8.180 1.00 0.00 C ATOM 126 CG1 VAL A 9 -9.237 -0.777 7.076 1.00 0.00 C ATOM 127 CG2 VAL A 9 -8.242 -2.963 7.792 1.00 0.00 C ATOM 0 H VAL A 9 -6.744 -1.499 10.343 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.618 -0.725 7.475 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.015 -1.470 9.110 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.178 -1.299 6.903 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.442 0.248 7.384 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.652 -0.769 6.157 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.210 -3.432 7.615 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.641 -3.018 6.885 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.729 -3.484 8.600 1.00 0.00 H new ATOM 137 N LEU A 10 -6.968 1.617 8.287 1.00 0.00 N ATOM 138 CA LEU A 10 -6.900 3.003 8.707 1.00 0.00 C ATOM 139 C LEU A 10 -7.863 3.781 7.805 1.00 0.00 C ATOM 140 O LEU A 10 -8.177 3.322 6.701 1.00 0.00 O ATOM 141 CB LEU A 10 -5.447 3.486 8.544 1.00 0.00 C ATOM 142 CG LEU A 10 -4.343 2.585 9.151 1.00 0.00 C ATOM 143 CD1 LEU A 10 -2.961 3.023 8.666 1.00 0.00 C ATOM 144 CD2 LEU A 10 -4.368 2.577 10.681 1.00 0.00 C ATOM 0 H LEU A 10 -6.690 1.492 7.314 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.184 3.145 9.750 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.244 3.602 7.479 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.365 4.475 8.994 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.549 1.571 8.809 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.200 2.377 9.104 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.917 2.950 7.579 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.779 4.054 8.968 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.574 1.930 11.054 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.216 3.590 11.053 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.332 2.205 11.027 1.00 0.00 H new ATOM 156 N GLN A 11 -8.342 4.948 8.236 1.00 0.00 N ATOM 157 CA GLN A 11 -9.169 5.795 7.381 1.00 0.00 C ATOM 158 C GLN A 11 -8.246 6.642 6.514 1.00 0.00 C ATOM 159 O GLN A 11 -7.309 7.248 7.034 1.00 0.00 O ATOM 160 CB GLN A 11 -10.097 6.692 8.212 1.00 0.00 C ATOM 161 CG GLN A 11 -11.067 5.887 9.070 1.00 0.00 C ATOM 162 CD GLN A 11 -12.115 6.760 9.745 1.00 0.00 C ATOM 163 OE1 GLN A 11 -12.041 7.059 10.934 1.00 0.00 O ATOM 164 NE2 GLN A 11 -13.140 7.176 9.014 1.00 0.00 N ATOM 0 H GLN A 11 -8.172 5.326 9.168 1.00 0.00 H new ATOM 0 HA GLN A 11 -9.805 5.168 6.756 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.496 7.336 8.854 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -10.661 7.344 7.545 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.565 5.143 8.448 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.508 5.343 9.831 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.197 6.925 8.027 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -13.871 7.747 9.439 1.00 0.00 H new ATOM 173 N VAL A 12 -8.535 6.790 5.219 1.00 0.00 N ATOM 174 CA VAL A 12 -7.721 7.619 4.334 1.00 0.00 C ATOM 175 C VAL A 12 -7.710 9.078 4.806 1.00 0.00 C ATOM 176 O VAL A 12 -6.795 9.818 4.446 1.00 0.00 O ATOM 177 CB VAL A 12 -8.174 7.441 2.866 1.00 0.00 C ATOM 178 CG1 VAL A 12 -9.599 7.916 2.574 1.00 0.00 C ATOM 179 CG2 VAL A 12 -7.218 8.095 1.859 1.00 0.00 C ATOM 0 H VAL A 12 -9.330 6.344 4.761 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.683 7.288 4.378 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.154 6.359 2.736 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.829 7.752 1.521 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.303 7.356 3.190 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.682 8.979 2.802 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.590 7.935 0.847 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.156 9.165 2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.228 7.650 1.955 1.00 0.00 H new ATOM 189 N ARG A 13 -8.680 9.476 5.642 1.00 0.00 N ATOM 190 CA ARG A 13 -8.784 10.821 6.191 1.00 0.00 C ATOM 191 C ARG A 13 -7.956 11.037 7.454 1.00 0.00 C ATOM 192 O ARG A 13 -7.877 12.165 7.940 1.00 0.00 O ATOM 193 CB ARG A 13 -10.256 11.211 6.403 1.00 0.00 C ATOM 194 CG ARG A 13 -11.074 10.203 7.233 1.00 0.00 C ATOM 195 CD ARG A 13 -11.906 10.851 8.344 1.00 0.00 C ATOM 196 NE ARG A 13 -11.181 10.792 9.616 1.00 0.00 N ATOM 197 CZ ARG A 13 -11.415 11.434 10.758 1.00 0.00 C ATOM 198 NH1 ARG A 13 -12.318 12.403 10.856 1.00 0.00 N ATOM 199 NH2 ARG A 13 -10.711 11.072 11.815 1.00 0.00 N ATOM 0 H ARG A 13 -9.425 8.854 5.957 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.350 11.489 5.447 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.293 12.182 6.896 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.731 11.329 5.429 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.739 9.653 6.567 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.395 9.476 7.677 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.123 11.888 8.088 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.863 10.338 8.438 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.377 10.165 9.628 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.861 12.679 10.038 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.468 12.871 11.749 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.020 10.326 11.736 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.859 11.538 12.710 1.00 0.00 H new ATOM 213 N ASP A 14 -7.341 9.991 7.997 1.00 0.00 N ATOM 214 CA ASP A 14 -6.449 10.064 9.158 1.00 0.00 C ATOM 215 C ASP A 14 -5.002 9.885 8.713 1.00 0.00 C ATOM 216 O ASP A 14 -4.080 10.520 9.218 1.00 0.00 O ATOM 217 CB ASP A 14 -6.793 8.967 10.166 1.00 0.00 C ATOM 218 CG ASP A 14 -8.021 9.356 10.987 1.00 0.00 C ATOM 219 OD1 ASP A 14 -9.143 9.192 10.472 1.00 0.00 O ATOM 220 OD2 ASP A 14 -7.892 9.906 12.106 1.00 0.00 O ATOM 0 H ASP A 14 -7.449 9.043 7.635 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.577 11.040 9.626 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.981 8.030 9.642 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.945 8.796 10.829 1.00 0.00 H new ATOM 225 N VAL A 15 -4.816 9.025 7.720 1.00 0.00 N ATOM 226 CA VAL A 15 -3.606 8.724 6.977 1.00 0.00 C ATOM 227 C VAL A 15 -3.121 9.916 6.154 1.00 0.00 C ATOM 228 O VAL A 15 -3.345 9.959 4.949 1.00 0.00 O ATOM 229 CB VAL A 15 -3.725 7.396 6.220 1.00 0.00 C ATOM 230 CG1 VAL A 15 -2.332 6.994 5.757 1.00 0.00 C ATOM 231 CG2 VAL A 15 -4.201 6.232 7.100 1.00 0.00 C ATOM 0 H VAL A 15 -5.596 8.462 7.382 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.796 8.558 7.687 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.444 7.561 5.417 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.387 6.050 5.214 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.929 7.766 5.102 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.680 6.877 6.623 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.263 5.324 6.500 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.495 6.081 7.916 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.184 6.464 7.509 1.00 0.00 H new ATOM 241 N LEU A 16 -2.716 11.005 6.805 1.00 0.00 N ATOM 242 CA LEU A 16 -2.047 12.148 6.192 1.00 0.00 C ATOM 243 C LEU A 16 -1.118 11.761 5.034 1.00 0.00 C ATOM 244 O LEU A 16 -1.152 12.451 4.015 1.00 0.00 O ATOM 245 CB LEU A 16 -1.240 12.903 7.263 1.00 0.00 C ATOM 246 CG LEU A 16 -2.099 13.705 8.259 1.00 0.00 C ATOM 247 CD1 LEU A 16 -1.239 14.189 9.430 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.752 14.916 7.581 1.00 0.00 C ATOM 0 H LEU A 16 -2.850 11.118 7.810 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.828 12.782 5.772 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.636 12.185 7.818 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.549 13.585 6.767 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.884 13.043 8.625 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.858 14.754 10.127 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.807 13.330 9.943 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.439 14.827 9.055 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.351 15.462 8.310 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.977 15.572 7.184 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.392 14.576 6.767 1.00 0.00 H new ATOM 260 N VAL A 17 -0.310 10.701 5.163 1.00 0.00 N ATOM 261 CA VAL A 17 0.638 10.283 4.127 1.00 0.00 C ATOM 262 C VAL A 17 0.258 8.914 3.592 1.00 0.00 C ATOM 263 O VAL A 17 0.449 7.893 4.248 1.00 0.00 O ATOM 264 CB VAL A 17 2.097 10.278 4.632 1.00 0.00 C ATOM 265 CG1 VAL A 17 3.084 10.015 3.482 1.00 0.00 C ATOM 266 CG2 VAL A 17 2.504 11.590 5.301 1.00 0.00 C ATOM 0 H VAL A 17 -0.297 10.108 5.993 1.00 0.00 H new ATOM 0 HA VAL A 17 0.582 11.015 3.321 1.00 0.00 H new ATOM 0 HB VAL A 17 2.140 9.477 5.370 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.103 10.018 3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.869 9.046 3.033 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.980 10.795 2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.540 11.523 5.634 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.405 12.408 4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.858 11.776 6.159 1.00 0.00 H new ATOM 276 N ARG A 18 -0.270 8.879 2.372 1.00 0.00 N ATOM 277 CA ARG A 18 -0.666 7.648 1.708 1.00 0.00 C ATOM 278 C ARG A 18 0.296 7.246 0.597 1.00 0.00 C ATOM 279 O ARG A 18 0.044 6.253 -0.087 1.00 0.00 O ATOM 280 CB ARG A 18 -2.076 7.805 1.162 1.00 0.00 C ATOM 281 CG ARG A 18 -3.052 8.483 2.132 1.00 0.00 C ATOM 282 CD ARG A 18 -3.321 9.945 1.770 1.00 0.00 C ATOM 283 NE ARG A 18 -4.579 10.438 2.329 1.00 0.00 N ATOM 284 CZ ARG A 18 -4.943 11.719 2.368 1.00 0.00 C ATOM 285 NH1 ARG A 18 -4.122 12.687 1.971 1.00 0.00 N ATOM 286 NH2 ARG A 18 -6.148 12.009 2.829 1.00 0.00 N ATOM 0 H ARG A 18 -0.435 9.716 1.813 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.638 6.846 2.446 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.035 8.386 0.240 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.465 6.821 0.901 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.994 7.934 2.136 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.648 8.431 3.143 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.499 10.563 2.132 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.344 10.049 0.685 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.225 9.751 2.717 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.190 12.456 1.627 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.424 13.660 2.011 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.768 11.262 3.142 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.457 12.980 2.872 1.00 0.00 H new ATOM 300 N GLY A 19 1.353 8.019 0.362 1.00 0.00 N ATOM 301 CA GLY A 19 2.379 7.686 -0.597 1.00 0.00 C ATOM 302 C GLY A 19 3.488 6.986 0.162 1.00 0.00 C ATOM 303 O GLY A 19 3.936 7.503 1.183 1.00 0.00 O ATOM 0 H GLY A 19 1.514 8.904 0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.980 7.040 -1.379 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.755 8.584 -1.087 1.00 0.00 H new ATOM 307 N PHE A 20 3.940 5.836 -0.324 1.00 0.00 N ATOM 308 CA PHE A 20 5.245 5.315 0.071 1.00 0.00 C ATOM 309 C PHE A 20 6.373 5.949 -0.749 1.00 0.00 C ATOM 310 O PHE A 20 7.542 5.817 -0.383 1.00 0.00 O ATOM 311 CB PHE A 20 5.286 3.806 -0.121 1.00 0.00 C ATOM 312 CG PHE A 20 4.407 2.996 0.799 1.00 0.00 C ATOM 313 CD1 PHE A 20 4.781 2.781 2.138 1.00 0.00 C ATOM 314 CD2 PHE A 20 3.247 2.393 0.290 1.00 0.00 C ATOM 315 CE1 PHE A 20 4.031 1.903 2.936 1.00 0.00 C ATOM 316 CE2 PHE A 20 2.490 1.540 1.102 1.00 0.00 C ATOM 317 CZ PHE A 20 2.896 1.264 2.419 1.00 0.00 C ATOM 0 H PHE A 20 3.429 5.251 -0.985 1.00 0.00 H new ATOM 0 HA PHE A 20 5.392 5.564 1.122 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.003 3.583 -1.150 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.316 3.472 0.006 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.641 3.289 2.550 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.938 2.587 -0.727 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.331 1.718 3.957 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.588 1.091 0.714 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.339 0.566 3.027 1.00 0.00 H new ATOM 327 N GLY A 21 6.037 6.620 -1.849 1.00 0.00 N ATOM 328 CA GLY A 21 6.953 7.178 -2.826 1.00 0.00 C ATOM 329 C GLY A 21 6.141 7.766 -3.974 1.00 0.00 C ATOM 330 O GLY A 21 4.907 7.744 -3.928 1.00 0.00 O ATOM 0 H GLY A 21 5.062 6.795 -2.090 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.572 7.949 -2.367 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.627 6.406 -3.196 1.00 0.00 H new ATOM 334 N ASP A 22 6.825 8.275 -4.996 1.00 0.00 N ATOM 335 CA ASP A 22 6.242 8.934 -6.168 1.00 0.00 C ATOM 336 C ASP A 22 6.823 8.341 -7.461 1.00 0.00 C ATOM 337 O ASP A 22 7.142 9.035 -8.429 1.00 0.00 O ATOM 338 CB ASP A 22 6.400 10.455 -6.058 1.00 0.00 C ATOM 339 CG ASP A 22 5.674 11.188 -7.193 1.00 0.00 C ATOM 340 OD1 ASP A 22 4.451 10.985 -7.378 1.00 0.00 O ATOM 341 OD2 ASP A 22 6.339 11.984 -7.895 1.00 0.00 O ATOM 0 H ASP A 22 7.844 8.239 -5.034 1.00 0.00 H new ATOM 0 HA ASP A 22 5.169 8.743 -6.205 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.008 10.792 -5.099 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.459 10.713 -6.078 1.00 0.00 H new ATOM 346 N SER A 23 6.974 7.017 -7.488 1.00 0.00 N ATOM 347 CA SER A 23 6.813 6.208 -8.692 1.00 0.00 C ATOM 348 C SER A 23 6.252 4.847 -8.286 1.00 0.00 C ATOM 349 O SER A 23 6.289 4.484 -7.107 1.00 0.00 O ATOM 350 CB SER A 23 8.117 6.115 -9.496 1.00 0.00 C ATOM 351 OG SER A 23 8.275 7.326 -10.219 1.00 0.00 O ATOM 0 H SER A 23 7.215 6.470 -6.661 1.00 0.00 H new ATOM 0 HA SER A 23 6.104 6.683 -9.370 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.965 5.956 -8.830 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.084 5.266 -10.178 1.00 0.00 H new ATOM 0 HG SER A 23 7.876 8.064 -9.712 1.00 0.00 H new ATOM 357 N VAL A 24 5.714 4.110 -9.258 1.00 0.00 N ATOM 358 CA VAL A 24 5.082 2.809 -9.067 1.00 0.00 C ATOM 359 C VAL A 24 6.048 1.878 -8.365 1.00 0.00 C ATOM 360 O VAL A 24 5.744 1.393 -7.276 1.00 0.00 O ATOM 361 CB VAL A 24 4.616 2.276 -10.434 1.00 0.00 C ATOM 362 CG1 VAL A 24 4.294 0.778 -10.495 1.00 0.00 C ATOM 363 CG2 VAL A 24 3.365 3.047 -10.833 1.00 0.00 C ATOM 0 H VAL A 24 5.707 4.414 -10.231 1.00 0.00 H new ATOM 0 HA VAL A 24 4.201 2.889 -8.430 1.00 0.00 H new ATOM 0 HB VAL A 24 5.458 2.420 -11.111 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.977 0.515 -11.504 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.183 0.204 -10.233 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.493 0.549 -9.792 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.011 2.690 -11.800 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.589 2.894 -10.083 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.599 4.109 -10.902 1.00 0.00 H new ATOM 373 N GLU A 25 7.194 1.622 -8.994 1.00 0.00 N ATOM 374 CA GLU A 25 8.103 0.604 -8.515 1.00 0.00 C ATOM 375 C GLU A 25 8.703 0.981 -7.156 1.00 0.00 C ATOM 376 O GLU A 25 9.002 0.087 -6.367 1.00 0.00 O ATOM 377 CB GLU A 25 9.215 0.397 -9.550 1.00 0.00 C ATOM 378 CG GLU A 25 8.847 -0.620 -10.633 1.00 0.00 C ATOM 379 CD GLU A 25 9.797 -0.503 -11.828 1.00 0.00 C ATOM 380 OE1 GLU A 25 9.677 0.471 -12.616 1.00 0.00 O ATOM 381 OE2 GLU A 25 10.665 -1.377 -12.027 1.00 0.00 O ATOM 0 H GLU A 25 7.507 2.109 -9.834 1.00 0.00 H new ATOM 0 HA GLU A 25 7.547 -0.324 -8.379 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.447 1.352 -10.021 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.120 0.065 -9.041 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.893 -1.629 -10.223 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.820 -0.455 -10.960 1.00 0.00 H new ATOM 388 N GLU A 26 8.855 2.281 -6.881 1.00 0.00 N ATOM 389 CA GLU A 26 9.291 2.802 -5.591 1.00 0.00 C ATOM 390 C GLU A 26 8.305 2.373 -4.523 1.00 0.00 C ATOM 391 O GLU A 26 8.648 1.618 -3.614 1.00 0.00 O ATOM 392 CB GLU A 26 9.381 4.340 -5.607 1.00 0.00 C ATOM 393 CG GLU A 26 10.569 4.849 -6.414 1.00 0.00 C ATOM 394 CD GLU A 26 11.900 4.318 -5.855 1.00 0.00 C ATOM 395 OE1 GLU A 26 12.079 4.255 -4.611 1.00 0.00 O ATOM 396 OE2 GLU A 26 12.795 3.942 -6.642 1.00 0.00 O ATOM 0 H GLU A 26 8.673 3.013 -7.568 1.00 0.00 H new ATOM 0 HA GLU A 26 10.283 2.404 -5.379 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.461 4.750 -6.024 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.458 4.706 -4.583 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.462 4.542 -7.454 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.578 5.939 -6.403 1.00 0.00 H new ATOM 403 N ALA A 27 7.066 2.843 -4.659 1.00 0.00 N ATOM 404 CA ALA A 27 6.044 2.626 -3.666 1.00 0.00 C ATOM 405 C ALA A 27 5.811 1.128 -3.465 1.00 0.00 C ATOM 406 O ALA A 27 5.669 0.693 -2.327 1.00 0.00 O ATOM 407 CB ALA A 27 4.778 3.366 -4.089 1.00 0.00 C ATOM 0 H ALA A 27 6.754 3.384 -5.465 1.00 0.00 H new ATOM 0 HA ALA A 27 6.359 3.024 -2.701 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.998 3.208 -3.344 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.990 4.432 -4.172 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.440 2.987 -5.054 1.00 0.00 H new ATOM 413 N LEU A 28 5.826 0.325 -4.535 1.00 0.00 N ATOM 414 CA LEU A 28 5.691 -1.127 -4.463 1.00 0.00 C ATOM 415 C LEU A 28 6.774 -1.747 -3.569 1.00 0.00 C ATOM 416 O LEU A 28 6.486 -2.655 -2.785 1.00 0.00 O ATOM 417 CB LEU A 28 5.760 -1.725 -5.885 1.00 0.00 C ATOM 418 CG LEU A 28 4.713 -2.816 -6.151 1.00 0.00 C ATOM 419 CD1 LEU A 28 4.842 -3.313 -7.595 1.00 0.00 C ATOM 420 CD2 LEU A 28 4.824 -4.019 -5.214 1.00 0.00 C ATOM 0 H LEU A 28 5.934 0.675 -5.487 1.00 0.00 H new ATOM 0 HA LEU A 28 4.724 -1.360 -4.018 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.629 -0.924 -6.612 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.754 -2.142 -6.046 1.00 0.00 H new ATOM 0 HG LEU A 28 3.743 -2.353 -5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.098 -4.087 -7.781 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.681 -2.482 -8.282 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.840 -3.724 -7.751 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.052 -4.747 -5.463 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.806 -4.479 -5.327 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.694 -3.690 -4.183 1.00 0.00 H new ATOM 432 N SER A 29 8.016 -1.282 -3.703 1.00 0.00 N ATOM 433 CA SER A 29 9.172 -1.801 -2.990 1.00 0.00 C ATOM 434 C SER A 29 9.107 -1.426 -1.517 1.00 0.00 C ATOM 435 O SER A 29 9.246 -2.278 -0.638 1.00 0.00 O ATOM 436 CB SER A 29 10.436 -1.211 -3.614 1.00 0.00 C ATOM 437 OG SER A 29 10.497 -1.552 -4.990 1.00 0.00 O ATOM 0 H SER A 29 8.247 -0.511 -4.330 1.00 0.00 H new ATOM 0 HA SER A 29 9.184 -2.888 -3.066 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.438 -0.127 -3.498 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.318 -1.588 -3.097 1.00 0.00 H new ATOM 0 HG SER A 29 9.934 -0.937 -5.505 1.00 0.00 H new ATOM 443 N GLU A 30 8.869 -0.150 -1.254 1.00 0.00 N ATOM 444 CA GLU A 30 8.762 0.421 0.070 1.00 0.00 C ATOM 445 C GLU A 30 7.605 -0.200 0.818 1.00 0.00 C ATOM 446 O GLU A 30 7.749 -0.507 1.989 1.00 0.00 O ATOM 447 CB GLU A 30 8.410 1.882 -0.111 1.00 0.00 C ATOM 448 CG GLU A 30 9.539 2.761 -0.611 1.00 0.00 C ATOM 449 CD GLU A 30 10.525 3.166 0.500 1.00 0.00 C ATOM 450 OE1 GLU A 30 10.158 3.167 1.702 1.00 0.00 O ATOM 451 OE2 GLU A 30 11.689 3.504 0.197 1.00 0.00 O ATOM 0 H GLU A 30 8.740 0.541 -1.993 1.00 0.00 H new ATOM 0 HA GLU A 30 9.693 0.261 0.614 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.577 1.955 -0.811 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.060 2.276 0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.082 2.234 -1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.119 3.660 -1.062 1.00 0.00 H new ATOM 458 N ALA A 31 6.464 -0.399 0.163 1.00 0.00 N ATOM 459 CA ALA A 31 5.323 -1.113 0.696 1.00 0.00 C ATOM 460 C ALA A 31 5.789 -2.478 1.165 1.00 0.00 C ATOM 461 O ALA A 31 5.739 -2.732 2.365 1.00 0.00 O ATOM 462 CB ALA A 31 4.258 -1.162 -0.389 1.00 0.00 C ATOM 0 H ALA A 31 6.310 -0.053 -0.784 1.00 0.00 H new ATOM 0 HA ALA A 31 4.880 -0.621 1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.383 -1.695 -0.017 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.973 -0.147 -0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.653 -1.679 -1.263 1.00 0.00 H new ATOM 468 N ARG A 32 6.327 -3.315 0.271 1.00 0.00 N ATOM 469 CA ARG A 32 6.909 -4.614 0.623 1.00 0.00 C ATOM 470 C ARG A 32 7.813 -4.517 1.848 1.00 0.00 C ATOM 471 O ARG A 32 7.798 -5.435 2.666 1.00 0.00 O ATOM 472 CB ARG A 32 7.699 -5.151 -0.588 1.00 0.00 C ATOM 473 CG ARG A 32 7.276 -6.525 -1.110 1.00 0.00 C ATOM 474 CD ARG A 32 7.730 -6.680 -2.567 1.00 0.00 C ATOM 475 NE ARG A 32 7.610 -8.074 -3.014 1.00 0.00 N ATOM 476 CZ ARG A 32 8.491 -9.048 -2.762 1.00 0.00 C ATOM 477 NH1 ARG A 32 9.644 -8.769 -2.158 1.00 0.00 N ATOM 478 NH2 ARG A 32 8.208 -10.294 -3.126 1.00 0.00 N ATOM 0 H ARG A 32 6.371 -3.107 -0.727 1.00 0.00 H new ATOM 0 HA ARG A 32 6.101 -5.300 0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.610 -4.432 -1.402 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.754 -5.196 -0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.716 -7.311 -0.495 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.194 -6.635 -1.041 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.129 -6.036 -3.209 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.765 -6.351 -2.665 1.00 0.00 H new ATOM 0 HE ARG A 32 6.786 -8.320 -3.562 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.858 -7.810 -1.886 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.313 -9.515 -1.967 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.325 -10.501 -3.593 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.874 -11.044 -2.938 1.00 0.00 H new ATOM 492 N GLU A 33 8.557 -3.427 2.025 1.00 0.00 N ATOM 493 CA GLU A 33 9.464 -3.240 3.120 1.00 0.00 C ATOM 494 C GLU A 33 8.748 -2.719 4.380 1.00 0.00 C ATOM 495 O GLU A 33 9.077 -3.166 5.474 1.00 0.00 O ATOM 496 CB GLU A 33 10.582 -2.342 2.580 1.00 0.00 C ATOM 497 CG GLU A 33 11.282 -1.505 3.629 1.00 0.00 C ATOM 498 CD GLU A 33 12.756 -1.286 3.303 1.00 0.00 C ATOM 499 OE1 GLU A 33 13.104 -0.806 2.198 1.00 0.00 O ATOM 500 OE2 GLU A 33 13.608 -1.732 4.105 1.00 0.00 O ATOM 0 H GLU A 33 8.534 -2.635 1.383 1.00 0.00 H new ATOM 0 HA GLU A 33 9.898 -4.176 3.471 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.322 -2.967 2.080 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.163 -1.677 1.824 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.783 -0.540 3.713 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.195 -1.994 4.599 1.00 0.00 H new ATOM 507 N HIS A 34 7.718 -1.874 4.284 1.00 0.00 N ATOM 508 CA HIS A 34 6.942 -1.411 5.428 1.00 0.00 C ATOM 509 C HIS A 34 6.118 -2.581 5.933 1.00 0.00 C ATOM 510 O HIS A 34 5.849 -2.678 7.119 1.00 0.00 O ATOM 511 CB HIS A 34 6.006 -0.253 5.059 1.00 0.00 C ATOM 512 CG HIS A 34 6.679 1.090 4.955 1.00 0.00 C ATOM 513 ND1 HIS A 34 7.565 1.477 3.980 1.00 0.00 N ATOM 514 CD2 HIS A 34 6.445 2.180 5.750 1.00 0.00 C ATOM 515 CE1 HIS A 34 7.869 2.767 4.182 1.00 0.00 C ATOM 516 NE2 HIS A 34 7.240 3.221 5.276 1.00 0.00 N ATOM 0 H HIS A 34 7.399 -1.489 3.395 1.00 0.00 H new ATOM 0 HA HIS A 34 7.627 -1.043 6.192 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.528 -0.480 4.106 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.215 -0.191 5.806 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.929 0.886 3.232 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.768 2.224 6.590 1.00 0.00 H new ATOM 0 HE1 HIS A 34 8.524 3.354 3.556 1.00 0.00 H new ATOM 524 N LEU A 35 5.741 -3.511 5.060 1.00 0.00 N ATOM 525 CA LEU A 35 5.212 -4.803 5.438 1.00 0.00 C ATOM 526 C LEU A 35 6.276 -5.632 6.168 1.00 0.00 C ATOM 527 O LEU A 35 5.989 -6.204 7.218 1.00 0.00 O ATOM 528 CB LEU A 35 4.698 -5.517 4.183 1.00 0.00 C ATOM 529 CG LEU A 35 3.281 -5.082 3.783 1.00 0.00 C ATOM 530 CD1 LEU A 35 3.176 -3.974 2.753 1.00 0.00 C ATOM 531 CD2 LEU A 35 2.550 -6.297 3.216 1.00 0.00 C ATOM 0 H LEU A 35 5.799 -3.377 4.050 1.00 0.00 H new ATOM 0 HA LEU A 35 4.381 -4.673 6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.380 -5.321 3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.707 -6.593 4.355 1.00 0.00 H new ATOM 0 HG LEU A 35 2.847 -4.679 4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.126 -3.759 2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.665 -3.077 3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.661 -4.289 1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.539 -6.010 2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.087 -6.670 2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.501 -7.079 3.974 1.00 0.00 H new ATOM 543 N LYS A 36 7.499 -5.696 5.635 1.00 0.00 N ATOM 544 CA LYS A 36 8.617 -6.464 6.191 1.00 0.00 C ATOM 545 C LYS A 36 9.007 -5.963 7.582 1.00 0.00 C ATOM 546 O LYS A 36 9.446 -6.747 8.428 1.00 0.00 O ATOM 547 CB LYS A 36 9.798 -6.387 5.224 1.00 0.00 C ATOM 548 CG LYS A 36 10.774 -7.555 5.391 1.00 0.00 C ATOM 549 CD LYS A 36 11.706 -7.635 4.179 1.00 0.00 C ATOM 550 CE LYS A 36 12.592 -6.390 4.140 1.00 0.00 C ATOM 551 NZ LYS A 36 13.710 -6.474 3.171 1.00 0.00 N ATOM 0 H LYS A 36 7.746 -5.200 4.779 1.00 0.00 H new ATOM 0 HA LYS A 36 8.311 -7.504 6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.424 -6.375 4.200 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.330 -5.449 5.380 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.358 -7.424 6.302 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.222 -8.489 5.498 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.322 -8.532 4.238 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.122 -7.709 3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.975 -5.526 3.893 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.000 -6.216 5.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.264 -5.594 3.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.322 -7.278 3.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.329 -6.609 2.213 1.00 0.00 H new ATOM 565 N ASN A 37 8.883 -4.657 7.805 1.00 0.00 N ATOM 566 CA ASN A 37 9.028 -3.984 9.087 1.00 0.00 C ATOM 567 C ASN A 37 7.791 -4.250 9.936 1.00 0.00 C ATOM 568 O ASN A 37 7.897 -4.646 11.097 1.00 0.00 O ATOM 569 CB ASN A 37 9.221 -2.471 8.867 1.00 0.00 C ATOM 570 CG ASN A 37 10.585 -2.153 8.257 1.00 0.00 C ATOM 571 OD1 ASN A 37 11.554 -2.864 8.507 1.00 0.00 O ATOM 572 ND2 ASN A 37 10.707 -1.125 7.437 1.00 0.00 N ATOM 0 H ASN A 37 8.666 -4.006 7.051 1.00 0.00 H new ATOM 0 HA ASN A 37 9.905 -4.369 9.607 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.434 -2.096 8.212 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.119 -1.950 9.819 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.609 -0.919 7.008 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.899 -0.537 7.232 1.00 0.00 H new ATOM 579 N GLY A 38 6.616 -4.073 9.336 1.00 0.00 N ATOM 580 CA GLY A 38 5.287 -4.162 9.916 1.00 0.00 C ATOM 581 C GLY A 38 4.649 -2.783 10.124 1.00 0.00 C ATOM 582 O GLY A 38 3.584 -2.694 10.736 1.00 0.00 O ATOM 0 H GLY A 38 6.571 -3.843 8.343 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.649 -4.761 9.266 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.345 -4.681 10.873 1.00 0.00 H new ATOM 586 N THR A 39 5.251 -1.711 9.613 1.00 0.00 N ATOM 587 CA THR A 39 4.806 -0.324 9.692 1.00 0.00 C ATOM 588 C THR A 39 3.994 0.049 8.443 1.00 0.00 C ATOM 589 O THR A 39 4.050 1.173 7.950 1.00 0.00 O ATOM 590 CB THR A 39 6.067 0.548 9.858 1.00 0.00 C ATOM 591 OG1 THR A 39 7.009 0.237 8.849 1.00 0.00 O ATOM 592 CG2 THR A 39 6.753 0.323 11.210 1.00 0.00 C ATOM 0 H THR A 39 6.126 -1.797 9.096 1.00 0.00 H new ATOM 0 HA THR A 39 4.142 -0.165 10.541 1.00 0.00 H new ATOM 0 HB THR A 39 5.738 1.585 9.790 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.806 0.797 8.961 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.636 0.959 11.280 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.061 0.572 12.015 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.051 -0.722 11.298 1.00 0.00 H new ATOM 600 N CYS A 40 3.166 -0.872 7.953 1.00 0.00 N ATOM 601 CA CYS A 40 2.208 -0.639 6.885 1.00 0.00 C ATOM 602 C CYS A 40 0.810 -0.787 7.486 1.00 0.00 C ATOM 603 O CYS A 40 0.629 -1.481 8.495 1.00 0.00 O ATOM 604 CB CYS A 40 2.518 -1.617 5.741 1.00 0.00 C ATOM 605 SG CYS A 40 1.248 -1.643 4.450 1.00 0.00 S ATOM 0 H CYS A 40 3.146 -1.830 8.303 1.00 0.00 H new ATOM 0 HA CYS A 40 2.268 0.361 6.456 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.475 -1.349 5.293 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.629 -2.621 6.151 1.00 0.00 H new ATOM 0 HG CYS A 40 0.754 -0.449 4.303 1.00 0.00 H new ATOM 611 N GLY A 41 -0.176 -0.150 6.859 1.00 0.00 N ATOM 612 CA GLY A 41 -1.588 -0.360 7.098 1.00 0.00 C ATOM 613 C GLY A 41 -2.340 -0.382 5.767 1.00 0.00 C ATOM 614 O GLY A 41 -1.750 -0.167 4.703 1.00 0.00 O ATOM 0 H GLY A 41 0.002 0.554 6.143 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.741 -1.300 7.628 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.980 0.433 7.735 1.00 0.00 H new ATOM 618 N LEU A 42 -3.640 -0.672 5.811 1.00 0.00 N ATOM 619 CA LEU A 42 -4.505 -0.804 4.643 1.00 0.00 C ATOM 620 C LEU A 42 -5.524 0.333 4.628 1.00 0.00 C ATOM 621 O LEU A 42 -5.989 0.768 5.681 1.00 0.00 O ATOM 622 CB LEU A 42 -5.218 -2.171 4.710 1.00 0.00 C ATOM 623 CG LEU A 42 -6.050 -2.528 3.460 1.00 0.00 C ATOM 624 CD1 LEU A 42 -5.152 -2.878 2.267 1.00 0.00 C ATOM 625 CD2 LEU A 42 -6.978 -3.705 3.767 1.00 0.00 C ATOM 0 H LEU A 42 -4.134 -0.826 6.690 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.916 -0.748 3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.470 -2.948 4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.874 -2.181 5.581 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.642 -1.652 3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.772 -3.124 1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.518 -2.025 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.527 -3.734 2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.561 -3.950 2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.383 -4.570 4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.652 -3.435 4.580 1.00 0.00 H new ATOM 637 N VAL A 43 -5.926 0.746 3.433 1.00 0.00 N ATOM 638 CA VAL A 43 -7.003 1.669 3.141 1.00 0.00 C ATOM 639 C VAL A 43 -7.931 0.947 2.167 1.00 0.00 C ATOM 640 O VAL A 43 -7.474 0.389 1.165 1.00 0.00 O ATOM 641 CB VAL A 43 -6.389 2.976 2.592 1.00 0.00 C ATOM 642 CG1 VAL A 43 -7.413 3.860 1.881 1.00 0.00 C ATOM 643 CG2 VAL A 43 -5.746 3.788 3.730 1.00 0.00 C ATOM 0 H VAL A 43 -5.470 0.417 2.582 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.590 1.960 4.012 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.637 2.675 1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.923 4.763 1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.842 3.316 1.040 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.205 4.133 2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.318 4.705 3.326 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.504 4.037 4.472 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.959 3.197 4.199 1.00 0.00 H new ATOM 653 N GLU A 44 -9.226 0.895 2.477 1.00 0.00 N ATOM 654 CA GLU A 44 -10.212 0.275 1.600 1.00 0.00 C ATOM 655 C GLU A 44 -10.427 1.150 0.359 1.00 0.00 C ATOM 656 O GLU A 44 -10.474 2.380 0.459 1.00 0.00 O ATOM 657 CB GLU A 44 -11.529 0.057 2.356 1.00 0.00 C ATOM 658 CG GLU A 44 -11.353 -0.966 3.491 1.00 0.00 C ATOM 659 CD GLU A 44 -12.681 -1.381 4.120 1.00 0.00 C ATOM 660 OE1 GLU A 44 -13.657 -1.678 3.394 1.00 0.00 O ATOM 661 OE2 GLU A 44 -12.779 -1.535 5.356 1.00 0.00 O ATOM 0 H GLU A 44 -9.617 1.279 3.337 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.844 -0.698 1.275 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.877 1.005 2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.296 -0.291 1.664 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.847 -1.850 3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.708 -0.542 4.260 1.00 0.00 H new ATOM 668 N LEU A 45 -10.565 0.517 -0.810 1.00 0.00 N ATOM 669 CA LEU A 45 -10.846 1.186 -2.075 1.00 0.00 C ATOM 670 C LEU A 45 -12.333 1.484 -2.147 1.00 0.00 C ATOM 671 O LEU A 45 -13.146 0.576 -2.352 1.00 0.00 O ATOM 672 CB LEU A 45 -10.425 0.320 -3.272 1.00 0.00 C ATOM 673 CG LEU A 45 -8.962 0.551 -3.672 1.00 0.00 C ATOM 674 CD1 LEU A 45 -8.535 -0.574 -4.611 1.00 0.00 C ATOM 675 CD2 LEU A 45 -8.773 1.903 -4.376 1.00 0.00 C ATOM 0 H LEU A 45 -10.482 -0.496 -0.901 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.272 2.111 -2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.570 -0.732 -3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.071 0.540 -4.122 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.351 0.559 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.496 -0.427 -4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.635 -1.532 -4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.169 -0.568 -5.498 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.724 2.030 -4.644 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.384 1.932 -5.278 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.077 2.708 -3.706 1.00 0.00 H new ATOM 687 N GLU A 46 -12.694 2.754 -2.022 1.00 0.00 N ATOM 688 CA GLU A 46 -14.053 3.247 -2.198 1.00 0.00 C ATOM 689 C GLU A 46 -14.040 4.333 -3.279 1.00 0.00 C ATOM 690 O GLU A 46 -12.981 4.698 -3.802 1.00 0.00 O ATOM 691 CB GLU A 46 -14.647 3.716 -0.859 1.00 0.00 C ATOM 692 CG GLU A 46 -14.562 2.627 0.220 1.00 0.00 C ATOM 693 CD GLU A 46 -15.252 3.059 1.508 1.00 0.00 C ATOM 694 OE1 GLU A 46 -14.776 4.016 2.163 1.00 0.00 O ATOM 695 OE2 GLU A 46 -16.271 2.425 1.871 1.00 0.00 O ATOM 0 H GLU A 46 -12.029 3.491 -1.788 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.711 2.447 -2.537 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -14.117 4.606 -0.519 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -15.689 4.002 -1.005 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -15.022 1.711 -0.150 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.516 2.399 0.426 1.00 0.00 H new ATOM 702 N LYS A 47 -15.215 4.823 -3.679 1.00 0.00 N ATOM 703 CA LYS A 47 -15.326 5.575 -4.924 1.00 0.00 C ATOM 704 C LYS A 47 -14.542 6.889 -4.893 1.00 0.00 C ATOM 705 O LYS A 47 -13.951 7.250 -5.914 1.00 0.00 O ATOM 706 CB LYS A 47 -16.800 5.790 -5.283 1.00 0.00 C ATOM 707 CG LYS A 47 -16.936 6.216 -6.751 1.00 0.00 C ATOM 708 CD LYS A 47 -18.406 6.236 -7.162 1.00 0.00 C ATOM 709 CE LYS A 47 -18.542 6.647 -8.631 1.00 0.00 C ATOM 710 NZ LYS A 47 -19.949 6.895 -8.993 1.00 0.00 N ATOM 0 H LYS A 47 -16.090 4.714 -3.166 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.866 4.979 -5.712 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.361 4.871 -5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -17.231 6.553 -4.635 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -16.498 7.204 -6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -16.382 5.528 -7.389 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -18.846 5.250 -7.011 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -18.958 6.932 -6.530 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -17.954 7.546 -8.815 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -18.134 5.863 -9.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -20.006 7.171 -9.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -20.505 6.029 -8.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -20.330 7.660 -8.400 1.00 0.00 H new ATOM 724 N GLY A 48 -14.468 7.576 -3.758 1.00 0.00 N ATOM 725 CA GLY A 48 -13.821 8.877 -3.648 1.00 0.00 C ATOM 726 C GLY A 48 -12.375 8.807 -3.174 1.00 0.00 C ATOM 727 O GLY A 48 -11.854 9.803 -2.680 1.00 0.00 O ATOM 0 H GLY A 48 -14.861 7.240 -2.878 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.852 9.371 -4.619 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -14.390 9.498 -2.957 1.00 0.00 H new ATOM 731 N VAL A 49 -11.717 7.648 -3.249 1.00 0.00 N ATOM 732 CA VAL A 49 -10.476 7.410 -2.511 1.00 0.00 C ATOM 733 C VAL A 49 -9.236 7.793 -3.311 1.00 0.00 C ATOM 734 O VAL A 49 -8.376 8.497 -2.789 1.00 0.00 O ATOM 735 CB VAL A 49 -10.481 5.955 -2.015 1.00 0.00 C ATOM 736 CG1 VAL A 49 -9.175 5.514 -1.352 1.00 0.00 C ATOM 737 CG2 VAL A 49 -11.627 5.790 -1.007 1.00 0.00 C ATOM 0 H VAL A 49 -12.025 6.858 -3.816 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.429 8.066 -1.641 1.00 0.00 H new ATOM 0 HB VAL A 49 -10.608 5.324 -2.895 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.262 4.476 -1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.356 5.606 -2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.975 6.146 -0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -11.647 4.763 -0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.474 6.469 -0.168 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -12.575 6.021 -1.493 1.00 0.00 H new ATOM 747 N LEU A 50 -9.145 7.351 -4.568 1.00 0.00 N ATOM 748 CA LEU A 50 -8.001 7.609 -5.442 1.00 0.00 C ATOM 749 C LEU A 50 -7.593 9.095 -5.455 1.00 0.00 C ATOM 750 O LEU A 50 -6.415 9.351 -5.200 1.00 0.00 O ATOM 751 CB LEU A 50 -8.318 7.084 -6.853 1.00 0.00 C ATOM 752 CG LEU A 50 -8.074 5.577 -7.119 1.00 0.00 C ATOM 753 CD1 LEU A 50 -7.800 5.336 -8.608 1.00 0.00 C ATOM 754 CD2 LEU A 50 -6.957 4.924 -6.294 1.00 0.00 C ATOM 0 H LEU A 50 -9.876 6.796 -5.012 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.136 7.075 -5.050 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.365 7.300 -7.066 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.723 7.654 -7.567 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.998 5.097 -6.796 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.631 4.273 -8.779 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.658 5.666 -9.194 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.916 5.898 -8.911 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.875 3.871 -6.562 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.012 5.426 -6.500 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.190 5.011 -5.233 1.00 0.00 H new ATOM 766 N PRO A 51 -8.485 10.085 -5.680 1.00 0.00 N ATOM 767 CA PRO A 51 -8.091 11.489 -5.804 1.00 0.00 C ATOM 768 C PRO A 51 -7.975 12.148 -4.420 1.00 0.00 C ATOM 769 O PRO A 51 -8.419 13.277 -4.204 1.00 0.00 O ATOM 770 CB PRO A 51 -9.189 12.092 -6.685 1.00 0.00 C ATOM 771 CG PRO A 51 -10.444 11.368 -6.198 1.00 0.00 C ATOM 772 CD PRO A 51 -9.932 9.973 -5.813 1.00 0.00 C ATOM 0 HA PRO A 51 -7.106 11.637 -6.247 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.267 13.171 -6.553 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.003 11.913 -7.744 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.896 11.878 -5.347 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.204 11.315 -6.978 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.383 9.639 -4.879 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.196 9.239 -6.575 1.00 0.00 H new ATOM 780 N GLN A 52 -7.357 11.434 -3.483 1.00 0.00 N ATOM 781 CA GLN A 52 -6.924 11.887 -2.165 1.00 0.00 C ATOM 782 C GLN A 52 -5.581 11.257 -1.780 1.00 0.00 C ATOM 783 O GLN A 52 -4.917 11.733 -0.861 1.00 0.00 O ATOM 784 CB GLN A 52 -7.940 11.507 -1.078 1.00 0.00 C ATOM 785 CG GLN A 52 -9.399 11.782 -1.448 1.00 0.00 C ATOM 786 CD GLN A 52 -10.281 11.779 -0.207 1.00 0.00 C ATOM 787 OE1 GLN A 52 -10.058 12.542 0.728 1.00 0.00 O ATOM 788 NE2 GLN A 52 -11.272 10.909 -0.121 1.00 0.00 N ATOM 0 H GLN A 52 -7.129 10.452 -3.637 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.832 12.971 -2.228 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.830 10.447 -0.851 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.700 12.055 -0.167 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.476 12.745 -1.952 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.749 11.026 -2.151 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.461 10.273 -0.896 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.848 10.874 0.720 1.00 0.00 H new ATOM 797 N LEU A 53 -5.194 10.175 -2.462 1.00 0.00 N ATOM 798 CA LEU A 53 -3.922 9.475 -2.337 1.00 0.00 C ATOM 799 C LEU A 53 -2.878 10.269 -3.130 1.00 0.00 C ATOM 800 O LEU A 53 -3.170 11.392 -3.549 1.00 0.00 O ATOM 801 CB LEU A 53 -4.149 8.025 -2.794 1.00 0.00 C ATOM 802 CG LEU A 53 -5.204 7.256 -1.974 1.00 0.00 C ATOM 803 CD1 LEU A 53 -5.534 5.917 -2.616 1.00 0.00 C ATOM 804 CD2 LEU A 53 -4.758 7.004 -0.543 1.00 0.00 C ATOM 0 H LEU A 53 -5.801 9.742 -3.158 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.538 9.413 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.453 8.030 -3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.202 7.488 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.089 7.892 -1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.281 5.399 -2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.927 6.082 -3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.631 5.310 -2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.537 6.460 -0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.841 6.415 -0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.576 7.957 -0.046 1.00 0.00 H new ATOM 816 N GLU A 54 -1.641 9.792 -3.260 1.00 0.00 N ATOM 817 CA GLU A 54 -0.652 10.488 -4.071 1.00 0.00 C ATOM 818 C GLU A 54 -0.890 10.078 -5.516 1.00 0.00 C ATOM 819 O GLU A 54 -1.689 10.696 -6.213 1.00 0.00 O ATOM 820 CB GLU A 54 0.769 10.200 -3.565 1.00 0.00 C ATOM 821 CG GLU A 54 1.093 10.768 -2.177 1.00 0.00 C ATOM 822 CD GLU A 54 1.045 12.295 -2.012 1.00 0.00 C ATOM 823 OE1 GLU A 54 0.054 12.951 -2.403 1.00 0.00 O ATOM 824 OE2 GLU A 54 1.914 12.822 -1.284 1.00 0.00 O ATOM 0 H GLU A 54 -1.305 8.936 -2.818 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.756 11.571 -3.997 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.918 9.120 -3.543 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.483 10.606 -4.282 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.397 10.329 -1.462 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.091 10.430 -1.899 1.00 0.00 H new ATOM 831 N GLN A 55 -0.264 8.992 -5.945 1.00 0.00 N ATOM 832 CA GLN A 55 -0.349 8.501 -7.284 1.00 0.00 C ATOM 833 C GLN A 55 -0.040 7.021 -7.333 1.00 0.00 C ATOM 834 O GLN A 55 -0.902 6.300 -7.795 1.00 0.00 O ATOM 835 CB GLN A 55 0.585 9.274 -8.225 1.00 0.00 C ATOM 836 CG GLN A 55 -0.102 9.430 -9.563 1.00 0.00 C ATOM 837 CD GLN A 55 -1.138 10.533 -9.563 1.00 0.00 C ATOM 838 OE1 GLN A 55 -0.849 11.716 -9.738 1.00 0.00 O ATOM 839 NE2 GLN A 55 -2.376 10.137 -9.355 1.00 0.00 N ATOM 0 H GLN A 55 0.330 8.422 -5.343 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.372 8.655 -7.626 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.822 10.251 -7.805 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.528 8.741 -8.344 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.645 9.639 -10.328 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.580 8.488 -9.833 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.578 9.147 -9.214 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.133 10.820 -9.335 1.00 0.00 H new ATOM 848 N PRO A 56 1.141 6.529 -6.920 1.00 0.00 N ATOM 849 CA PRO A 56 1.443 5.131 -7.093 1.00 0.00 C ATOM 850 C PRO A 56 0.731 4.378 -5.981 1.00 0.00 C ATOM 851 O PRO A 56 1.285 4.134 -4.905 1.00 0.00 O ATOM 852 CB PRO A 56 2.955 5.025 -7.104 1.00 0.00 C ATOM 853 CG PRO A 56 3.417 6.213 -6.259 1.00 0.00 C ATOM 854 CD PRO A 56 2.247 7.206 -6.265 1.00 0.00 C ATOM 0 HA PRO A 56 1.091 4.685 -8.023 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.292 4.079 -6.680 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.351 5.079 -8.118 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.660 5.900 -5.243 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.316 6.665 -6.677 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.978 7.497 -5.249 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.514 8.119 -6.797 1.00 0.00 H new ATOM 862 N TYR A 57 -0.530 4.058 -6.240 1.00 0.00 N ATOM 863 CA TYR A 57 -1.439 3.463 -5.295 1.00 0.00 C ATOM 864 C TYR A 57 -1.051 1.986 -5.256 1.00 0.00 C ATOM 865 O TYR A 57 -1.285 1.242 -6.209 1.00 0.00 O ATOM 866 CB TYR A 57 -2.884 3.641 -5.799 1.00 0.00 C ATOM 867 CG TYR A 57 -3.270 4.996 -6.369 1.00 0.00 C ATOM 868 CD1 TYR A 57 -3.193 6.169 -5.590 1.00 0.00 C ATOM 869 CD2 TYR A 57 -3.692 5.073 -7.713 1.00 0.00 C ATOM 870 CE1 TYR A 57 -3.568 7.411 -6.145 1.00 0.00 C ATOM 871 CE2 TYR A 57 -4.050 6.311 -8.267 1.00 0.00 C ATOM 872 CZ TYR A 57 -4.030 7.473 -7.476 1.00 0.00 C ATOM 873 OH TYR A 57 -4.462 8.644 -8.015 1.00 0.00 O ATOM 0 H TYR A 57 -0.955 4.216 -7.154 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.385 3.916 -4.305 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.067 2.889 -6.567 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.558 3.421 -4.971 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.847 6.117 -4.568 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.739 4.178 -8.316 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.501 8.311 -5.552 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.342 6.372 -9.305 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.741 8.494 -8.942 1.00 0.00 H new ATOM 883 N VAL A 58 -0.367 1.579 -4.184 1.00 0.00 N ATOM 884 CA VAL A 58 0.104 0.215 -4.039 1.00 0.00 C ATOM 885 C VAL A 58 -1.095 -0.664 -3.685 1.00 0.00 C ATOM 886 O VAL A 58 -1.515 -0.728 -2.528 1.00 0.00 O ATOM 887 CB VAL A 58 1.243 0.115 -3.016 1.00 0.00 C ATOM 888 CG1 VAL A 58 1.886 -1.271 -3.148 1.00 0.00 C ATOM 889 CG2 VAL A 58 2.336 1.155 -3.264 1.00 0.00 C ATOM 0 H VAL A 58 -0.129 2.188 -3.401 1.00 0.00 H new ATOM 0 HA VAL A 58 0.535 -0.137 -4.976 1.00 0.00 H new ATOM 0 HB VAL A 58 0.819 0.286 -2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.700 -1.365 -2.429 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.138 -2.039 -2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.278 -1.396 -4.157 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.120 1.045 -2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.760 1.008 -4.257 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.908 2.155 -3.197 1.00 0.00 H new ATOM 899 N PHE A 59 -1.693 -1.284 -4.692 1.00 0.00 N ATOM 900 CA PHE A 59 -2.859 -2.126 -4.565 1.00 0.00 C ATOM 901 C PHE A 59 -2.510 -3.512 -4.076 1.00 0.00 C ATOM 902 O PHE A 59 -1.375 -3.988 -4.145 1.00 0.00 O ATOM 903 CB PHE A 59 -3.548 -2.233 -5.931 1.00 0.00 C ATOM 904 CG PHE A 59 -4.045 -0.931 -6.512 1.00 0.00 C ATOM 905 CD1 PHE A 59 -4.690 0.010 -5.693 1.00 0.00 C ATOM 906 CD2 PHE A 59 -3.885 -0.672 -7.882 1.00 0.00 C ATOM 907 CE1 PHE A 59 -5.162 1.218 -6.228 1.00 0.00 C ATOM 908 CE2 PHE A 59 -4.394 0.520 -8.428 1.00 0.00 C ATOM 909 CZ PHE A 59 -5.016 1.471 -7.603 1.00 0.00 C ATOM 0 H PHE A 59 -1.362 -1.207 -5.654 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.522 -1.672 -3.829 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.849 -2.682 -6.637 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.393 -2.916 -5.840 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.824 -0.198 -4.642 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.374 -1.384 -8.513 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.634 1.948 -5.588 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.306 0.705 -9.488 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.382 2.396 -8.024 1.00 0.00 H new ATOM 919 N ILE A 60 -3.576 -4.182 -3.655 1.00 0.00 N ATOM 920 CA ILE A 60 -3.595 -5.593 -3.375 1.00 0.00 C ATOM 921 C ILE A 60 -4.705 -6.190 -4.208 1.00 0.00 C ATOM 922 O ILE A 60 -5.829 -5.710 -4.118 1.00 0.00 O ATOM 923 CB ILE A 60 -3.751 -5.846 -1.868 1.00 0.00 C ATOM 924 CG1 ILE A 60 -5.024 -5.299 -1.197 1.00 0.00 C ATOM 925 CG2 ILE A 60 -2.548 -5.244 -1.173 1.00 0.00 C ATOM 926 CD1 ILE A 60 -5.200 -5.724 0.264 1.00 0.00 C ATOM 0 H ILE A 60 -4.478 -3.732 -3.497 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.654 -6.074 -3.644 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.833 -6.928 -1.766 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.007 -4.210 -1.247 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.892 -5.631 -1.767 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.629 -5.407 -0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.639 -5.717 -1.544 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.509 -4.174 -1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.121 -5.295 0.659 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.251 -6.811 0.323 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.353 -5.368 0.851 1.00 0.00 H new ATOM 938 N LYS A 61 -4.431 -7.213 -5.014 1.00 0.00 N ATOM 939 CA LYS A 61 -5.458 -7.947 -5.767 1.00 0.00 C ATOM 940 C LYS A 61 -5.357 -9.426 -5.443 1.00 0.00 C ATOM 941 O LYS A 61 -4.287 -9.881 -5.063 1.00 0.00 O ATOM 942 CB LYS A 61 -5.394 -7.626 -7.272 1.00 0.00 C ATOM 943 CG LYS A 61 -4.005 -7.640 -7.879 1.00 0.00 C ATOM 944 CD LYS A 61 -3.910 -8.373 -9.232 1.00 0.00 C ATOM 945 CE LYS A 61 -2.452 -8.774 -9.371 1.00 0.00 C ATOM 946 NZ LYS A 61 -2.126 -9.680 -10.497 1.00 0.00 N ATOM 0 H LYS A 61 -3.485 -7.562 -5.167 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.450 -7.619 -5.458 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.014 -8.346 -7.807 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.834 -6.642 -7.436 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.669 -6.612 -8.012 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.319 -8.111 -7.175 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.562 -9.247 -9.252 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.219 -7.725 -10.052 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.856 -7.867 -9.478 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.139 -9.254 -8.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.778 -10.586 -10.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.979 -9.845 -11.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.391 -9.245 -11.091 1.00 0.00 H new ATOM 960 N ARG A 62 -6.463 -10.175 -5.537 1.00 0.00 N ATOM 961 CA ARG A 62 -6.575 -11.549 -5.024 1.00 0.00 C ATOM 962 C ARG A 62 -5.925 -12.586 -5.937 1.00 0.00 C ATOM 963 O ARG A 62 -6.567 -13.541 -6.358 1.00 0.00 O ATOM 964 CB ARG A 62 -8.007 -11.930 -4.602 1.00 0.00 C ATOM 965 CG ARG A 62 -9.054 -11.508 -5.624 1.00 0.00 C ATOM 966 CD ARG A 62 -10.415 -12.215 -5.459 1.00 0.00 C ATOM 967 NE ARG A 62 -10.758 -12.995 -6.665 1.00 0.00 N ATOM 968 CZ ARG A 62 -10.096 -14.052 -7.156 1.00 0.00 C ATOM 969 NH1 ARG A 62 -9.310 -14.791 -6.385 1.00 0.00 N ATOM 970 NH2 ARG A 62 -10.200 -14.342 -8.445 1.00 0.00 N ATOM 0 H ARG A 62 -7.319 -9.839 -5.978 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.990 -11.559 -4.104 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.063 -13.009 -4.455 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.234 -11.465 -3.642 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.205 -10.431 -5.550 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.671 -11.709 -6.625 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.383 -12.875 -4.592 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.192 -11.475 -5.267 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.587 -12.698 -7.179 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.200 -14.559 -5.398 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.815 -15.591 -6.779 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.779 -13.763 -9.053 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.701 -15.144 -8.829 1.00 0.00 H new ATOM 984 N SER A 63 -4.638 -12.394 -6.182 1.00 0.00 N ATOM 985 CA SER A 63 -3.707 -13.281 -6.858 1.00 0.00 C ATOM 986 C SER A 63 -4.318 -13.914 -8.109 1.00 0.00 C ATOM 987 O SER A 63 -4.756 -15.069 -8.098 1.00 0.00 O ATOM 988 CB SER A 63 -3.080 -14.267 -5.863 1.00 0.00 C ATOM 989 OG SER A 63 -3.998 -14.766 -4.909 1.00 0.00 O ATOM 0 H SER A 63 -4.178 -11.534 -5.885 1.00 0.00 H new ATOM 0 HA SER A 63 -2.875 -12.694 -7.247 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.650 -15.103 -6.414 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.259 -13.773 -5.342 1.00 0.00 H new ATOM 0 HG SER A 63 -3.732 -15.670 -4.641 1.00 0.00 H new ATOM 995 N ASP A 64 -4.353 -13.130 -9.187 1.00 0.00 N ATOM 996 CA ASP A 64 -4.708 -13.629 -10.509 1.00 0.00 C ATOM 997 C ASP A 64 -3.459 -14.318 -11.061 1.00 0.00 C ATOM 998 O ASP A 64 -2.617 -13.703 -11.723 1.00 0.00 O ATOM 999 CB ASP A 64 -5.231 -12.508 -11.421 1.00 0.00 C ATOM 1000 CG ASP A 64 -5.706 -13.032 -12.786 1.00 0.00 C ATOM 1001 OD1 ASP A 64 -5.060 -13.928 -13.375 1.00 0.00 O ATOM 1002 OD2 ASP A 64 -6.749 -12.543 -13.284 1.00 0.00 O ATOM 0 H ASP A 64 -4.136 -12.134 -9.165 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.532 -14.340 -10.455 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.056 -11.996 -10.925 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.443 -11.770 -11.573 1.00 0.00 H new ATOM 1007 N ALA A 65 -3.289 -15.582 -10.677 1.00 0.00 N ATOM 1008 CA ALA A 65 -2.181 -16.441 -11.075 1.00 0.00 C ATOM 1009 C ALA A 65 -2.500 -17.920 -10.799 1.00 0.00 C ATOM 1010 O ALA A 65 -1.583 -18.720 -10.607 1.00 0.00 O ATOM 1011 CB ALA A 65 -0.928 -16.018 -10.296 1.00 0.00 C ATOM 0 H ALA A 65 -3.947 -16.052 -10.055 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.012 -16.333 -12.146 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.090 -16.652 -10.583 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.691 -14.979 -10.524 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.112 -16.122 -9.227 1.00 0.00 H new ATOM 1017 N LEU A 66 -3.778 -18.264 -10.627 1.00 0.00 N ATOM 1018 CA LEU A 66 -4.242 -19.518 -10.039 1.00 0.00 C ATOM 1019 C LEU A 66 -5.560 -19.897 -10.696 1.00 0.00 C ATOM 1020 O LEU A 66 -6.196 -19.049 -11.318 1.00 0.00 O ATOM 1021 CB LEU A 66 -4.499 -19.315 -8.537 1.00 0.00 C ATOM 1022 CG LEU A 66 -3.238 -19.097 -7.687 1.00 0.00 C ATOM 1023 CD1 LEU A 66 -3.669 -18.566 -6.325 1.00 0.00 C ATOM 1024 CD2 LEU A 66 -2.434 -20.391 -7.517 1.00 0.00 C ATOM 0 H LEU A 66 -4.546 -17.652 -10.905 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.492 -20.295 -10.188 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.158 -18.456 -8.409 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.031 -20.185 -8.154 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.589 -18.382 -8.193 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.789 -18.403 -5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.202 -17.624 -6.454 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.325 -19.291 -5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.551 -20.193 -6.910 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.052 -21.141 -7.024 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.127 -20.760 -8.496 1.00 0.00 H new ATOM 1036 N SER A 67 -6.016 -21.133 -10.502 1.00 0.00 N ATOM 1037 CA SER A 67 -7.315 -21.599 -10.959 1.00 0.00 C ATOM 1038 C SER A 67 -7.752 -22.686 -9.978 1.00 0.00 C ATOM 1039 O SER A 67 -7.495 -23.878 -10.167 1.00 0.00 O ATOM 1040 CB SER A 67 -7.175 -22.066 -12.412 1.00 0.00 C ATOM 1041 OG SER A 67 -8.400 -22.121 -13.110 1.00 0.00 O ATOM 0 H SER A 67 -5.479 -21.849 -10.013 1.00 0.00 H new ATOM 0 HA SER A 67 -8.088 -20.830 -10.968 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.498 -21.393 -12.937 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.715 -23.054 -12.424 1.00 0.00 H new ATOM 0 HG SER A 67 -8.240 -22.424 -14.028 1.00 0.00 H new ATOM 1047 N THR A 68 -8.307 -22.259 -8.849 1.00 0.00 N ATOM 1048 CA THR A 68 -8.794 -23.093 -7.761 1.00 0.00 C ATOM 1049 C THR A 68 -9.723 -22.192 -6.926 1.00 0.00 C ATOM 1050 O THR A 68 -9.668 -20.962 -7.066 1.00 0.00 O ATOM 1051 CB THR A 68 -7.580 -23.681 -7.000 1.00 0.00 C ATOM 1052 OG1 THR A 68 -7.976 -24.646 -6.046 1.00 0.00 O ATOM 1053 CG2 THR A 68 -6.671 -22.641 -6.341 1.00 0.00 C ATOM 0 H THR A 68 -8.435 -21.265 -8.660 1.00 0.00 H new ATOM 0 HA THR A 68 -9.369 -23.962 -8.080 1.00 0.00 H new ATOM 0 HB THR A 68 -6.984 -24.158 -7.778 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.184 -24.996 -5.587 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.850 -23.146 -5.832 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.270 -21.973 -7.103 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.245 -22.063 -5.617 1.00 0.00 H new ATOM 1061 N ASN A 69 -10.579 -22.764 -6.074 1.00 0.00 N ATOM 1062 CA ASN A 69 -11.636 -22.014 -5.377 1.00 0.00 C ATOM 1063 C ASN A 69 -11.525 -22.072 -3.853 1.00 0.00 C ATOM 1064 O ASN A 69 -12.306 -21.432 -3.149 1.00 0.00 O ATOM 1065 CB ASN A 69 -13.007 -22.549 -5.822 1.00 0.00 C ATOM 1066 CG ASN A 69 -14.004 -21.428 -6.089 1.00 0.00 C ATOM 1067 OD1 ASN A 69 -14.231 -20.541 -5.270 1.00 0.00 O ATOM 1068 ND2 ASN A 69 -14.626 -21.446 -7.250 1.00 0.00 N ATOM 0 H ASN A 69 -10.561 -23.758 -5.846 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.518 -20.965 -5.650 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.886 -23.148 -6.725 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.404 -23.210 -5.052 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -15.304 -20.718 -7.477 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -14.430 -22.187 -7.922 1.00 0.00 H new ATOM 1075 N HIS A 70 -10.606 -22.877 -3.328 1.00 0.00 N ATOM 1076 CA HIS A 70 -10.687 -23.416 -1.985 1.00 0.00 C ATOM 1077 C HIS A 70 -9.571 -22.801 -1.148 1.00 0.00 C ATOM 1078 O HIS A 70 -8.465 -23.346 -1.088 1.00 0.00 O ATOM 1079 CB HIS A 70 -10.609 -24.944 -2.107 1.00 0.00 C ATOM 1080 CG HIS A 70 -10.754 -25.694 -0.816 1.00 0.00 C ATOM 1081 ND1 HIS A 70 -9.845 -26.595 -0.309 1.00 0.00 N ATOM 1082 CD2 HIS A 70 -11.864 -25.716 -0.016 1.00 0.00 C ATOM 1083 CE1 HIS A 70 -10.385 -27.145 0.789 1.00 0.00 C ATOM 1084 NE2 HIS A 70 -11.615 -26.647 0.995 1.00 0.00 N ATOM 0 H HIS A 70 -9.773 -23.175 -3.836 1.00 0.00 H new ATOM 0 HA HIS A 70 -11.620 -23.171 -1.477 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -11.387 -25.278 -2.793 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -9.652 -25.209 -2.557 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -12.760 -25.127 -0.142 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.902 -27.880 1.415 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -12.251 -26.902 1.751 1.00 0.00 H new ATOM 1092 N GLY A 71 -9.824 -21.654 -0.521 1.00 0.00 N ATOM 1093 CA GLY A 71 -8.815 -20.949 0.254 1.00 0.00 C ATOM 1094 C GLY A 71 -9.374 -19.690 0.900 1.00 0.00 C ATOM 1095 O GLY A 71 -10.497 -19.265 0.615 1.00 0.00 O ATOM 0 H GLY A 71 -10.733 -21.191 -0.538 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.423 -21.610 1.027 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.979 -20.684 -0.393 1.00 0.00 H new ATOM 1099 N HIS A 72 -8.555 -19.092 1.766 1.00 0.00 N ATOM 1100 CA HIS A 72 -8.714 -17.736 2.285 1.00 0.00 C ATOM 1101 C HIS A 72 -8.628 -16.723 1.141 1.00 0.00 C ATOM 1102 O HIS A 72 -8.218 -17.060 0.028 1.00 0.00 O ATOM 1103 CB HIS A 72 -7.609 -17.483 3.316 1.00 0.00 C ATOM 1104 CG HIS A 72 -7.868 -18.107 4.662 1.00 0.00 C ATOM 1105 ND1 HIS A 72 -8.435 -19.337 4.928 1.00 0.00 N ATOM 1106 CD2 HIS A 72 -7.579 -17.518 5.861 1.00 0.00 C ATOM 1107 CE1 HIS A 72 -8.476 -19.478 6.260 1.00 0.00 C ATOM 1108 NE2 HIS A 72 -7.952 -18.406 6.875 1.00 0.00 N ATOM 0 H HIS A 72 -7.729 -19.560 2.139 1.00 0.00 H new ATOM 0 HA HIS A 72 -9.690 -17.624 2.758 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -6.667 -17.867 2.925 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.486 -16.408 3.444 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -7.141 -16.541 6.001 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -8.878 -20.340 6.771 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -7.847 -18.267 7.880 1.00 0.00 H new ATOM 1116 N LYS A 73 -8.953 -15.453 1.409 1.00 0.00 N ATOM 1117 CA LYS A 73 -8.644 -14.384 0.468 1.00 0.00 C ATOM 1118 C LYS A 73 -7.134 -14.151 0.498 1.00 0.00 C ATOM 1119 O LYS A 73 -6.611 -13.454 1.370 1.00 0.00 O ATOM 1120 CB LYS A 73 -9.465 -13.108 0.728 1.00 0.00 C ATOM 1121 CG LYS A 73 -10.971 -13.362 0.530 1.00 0.00 C ATOM 1122 CD LYS A 73 -11.755 -12.046 0.480 1.00 0.00 C ATOM 1123 CE LYS A 73 -13.255 -12.332 0.339 1.00 0.00 C ATOM 1124 NZ LYS A 73 -14.054 -11.096 0.250 1.00 0.00 N ATOM 0 H LYS A 73 -9.424 -15.148 2.261 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.937 -14.683 -0.538 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.284 -12.757 1.744 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.136 -12.317 0.054 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.130 -13.918 -0.394 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.348 -13.982 1.344 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.570 -11.469 1.386 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.412 -11.441 -0.359 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.425 -12.937 -0.552 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.592 -12.920 1.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.061 -11.339 0.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.914 -10.529 1.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.752 -10.546 -0.579 1.00 0.00 H new ATOM 1138 N VAL A 74 -6.426 -14.818 -0.407 1.00 0.00 N ATOM 1139 CA VAL A 74 -5.042 -14.541 -0.758 1.00 0.00 C ATOM 1140 C VAL A 74 -5.034 -13.221 -1.532 1.00 0.00 C ATOM 1141 O VAL A 74 -6.008 -12.937 -2.230 1.00 0.00 O ATOM 1142 CB VAL A 74 -4.511 -15.698 -1.632 1.00 0.00 C ATOM 1143 CG1 VAL A 74 -3.026 -15.505 -1.954 1.00 0.00 C ATOM 1144 CG2 VAL A 74 -4.714 -17.073 -0.970 1.00 0.00 C ATOM 0 H VAL A 74 -6.818 -15.597 -0.936 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.404 -14.459 0.122 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.091 -15.677 -2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.677 -16.333 -2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.890 -14.568 -2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.453 -15.476 -1.027 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.324 -17.853 -1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.185 -17.100 -0.018 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.777 -17.241 -0.799 1.00 0.00 H new ATOM 1154 N VAL A 75 -3.959 -12.423 -1.445 1.00 0.00 N ATOM 1155 CA VAL A 75 -3.757 -11.255 -2.305 1.00 0.00 C ATOM 1156 C VAL A 75 -2.283 -11.143 -2.704 1.00 0.00 C ATOM 1157 O VAL A 75 -1.462 -11.896 -2.182 1.00 0.00 O ATOM 1158 CB VAL A 75 -4.333 -9.967 -1.665 1.00 0.00 C ATOM 1159 CG1 VAL A 75 -5.675 -10.163 -0.941 1.00 0.00 C ATOM 1160 CG2 VAL A 75 -3.365 -9.317 -0.678 1.00 0.00 C ATOM 0 H VAL A 75 -3.206 -12.573 -0.774 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.322 -11.388 -3.228 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.495 -9.316 -2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.005 -9.212 -0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.420 -10.527 -1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.552 -10.889 -0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.820 -8.419 -0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.140 -10.018 0.126 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.443 -9.050 -1.195 1.00 0.00 H new ATOM 1170 N GLU A 76 -1.910 -10.217 -3.584 1.00 0.00 N ATOM 1171 CA GLU A 76 -0.524 -9.930 -3.945 1.00 0.00 C ATOM 1172 C GLU A 76 -0.365 -8.416 -4.122 1.00 0.00 C ATOM 1173 O GLU A 76 -1.344 -7.743 -4.447 1.00 0.00 O ATOM 1174 CB GLU A 76 -0.119 -10.710 -5.211 1.00 0.00 C ATOM 1175 CG GLU A 76 -0.972 -10.401 -6.455 1.00 0.00 C ATOM 1176 CD GLU A 76 -0.509 -11.096 -7.743 1.00 0.00 C ATOM 1177 OE1 GLU A 76 0.720 -11.123 -8.009 1.00 0.00 O ATOM 1178 OE2 GLU A 76 -1.390 -11.481 -8.542 1.00 0.00 O ATOM 0 H GLU A 76 -2.581 -9.630 -4.079 1.00 0.00 H new ATOM 0 HA GLU A 76 0.146 -10.258 -3.151 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.924 -10.491 -5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.182 -11.777 -5.000 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.003 -10.692 -6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.971 -9.324 -6.620 1.00 0.00 H new ATOM 1185 N LEU A 77 0.850 -7.916 -3.883 1.00 0.00 N ATOM 1186 CA LEU A 77 1.297 -6.517 -3.914 1.00 0.00 C ATOM 1187 C LEU A 77 1.538 -6.079 -5.359 1.00 0.00 C ATOM 1188 O LEU A 77 2.295 -6.740 -6.082 1.00 0.00 O ATOM 1189 CB LEU A 77 2.603 -6.390 -3.101 1.00 0.00 C ATOM 1190 CG LEU A 77 2.348 -5.873 -1.675 1.00 0.00 C ATOM 1191 CD1 LEU A 77 3.555 -6.111 -0.773 1.00 0.00 C ATOM 1192 CD2 LEU A 77 2.081 -4.370 -1.685 1.00 0.00 C ATOM 0 H LEU A 77 1.621 -8.538 -3.639 1.00 0.00 H new ATOM 0 HA LEU A 77 0.530 -5.877 -3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.095 -7.361 -3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.285 -5.713 -3.615 1.00 0.00 H new ATOM 0 HG LEU A 77 1.483 -6.418 -1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.342 -5.734 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.765 -7.179 -0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.422 -5.590 -1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.903 -4.025 -0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.945 -3.850 -2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.204 -4.160 -2.297 1.00 0.00 H new ATOM 1204 N VAL A 78 0.909 -4.975 -5.768 1.00 0.00 N ATOM 1205 CA VAL A 78 0.879 -4.419 -7.127 1.00 0.00 C ATOM 1206 C VAL A 78 0.837 -2.881 -6.975 1.00 0.00 C ATOM 1207 O VAL A 78 0.619 -2.395 -5.868 1.00 0.00 O ATOM 1208 CB VAL A 78 -0.331 -5.005 -7.919 1.00 0.00 C ATOM 1209 CG1 VAL A 78 0.031 -5.408 -9.353 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -0.969 -6.236 -7.281 1.00 0.00 C ATOM 0 H VAL A 78 0.370 -4.405 -5.116 1.00 0.00 H new ATOM 0 HA VAL A 78 1.760 -4.690 -7.708 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.040 -4.177 -7.907 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.851 -5.808 -9.852 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.391 -4.534 -9.897 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.812 -6.168 -9.331 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.801 -6.576 -7.898 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.227 -7.031 -7.202 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.335 -5.982 -6.286 1.00 0.00 H new ATOM 1220 N ALA A 79 1.069 -2.085 -8.023 1.00 0.00 N ATOM 1221 CA ALA A 79 1.040 -0.615 -7.954 1.00 0.00 C ATOM 1222 C ALA A 79 0.714 -0.043 -9.335 1.00 0.00 C ATOM 1223 O ALA A 79 1.150 -0.615 -10.336 1.00 0.00 O ATOM 1224 CB ALA A 79 2.390 -0.093 -7.438 1.00 0.00 C ATOM 0 H ALA A 79 1.285 -2.443 -8.953 1.00 0.00 H new ATOM 0 HA ALA A 79 0.265 -0.292 -7.259 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.364 0.996 -7.388 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.580 -0.497 -6.444 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.184 -0.407 -8.115 1.00 0.00 H new ATOM 1230 N GLU A 80 -0.004 1.081 -9.399 1.00 0.00 N ATOM 1231 CA GLU A 80 -0.403 1.804 -10.615 1.00 0.00 C ATOM 1232 C GLU A 80 -0.325 3.295 -10.332 1.00 0.00 C ATOM 1233 O GLU A 80 -0.608 3.694 -9.209 1.00 0.00 O ATOM 1234 CB GLU A 80 -1.869 1.529 -10.951 1.00 0.00 C ATOM 1235 CG GLU A 80 -2.143 0.126 -11.476 1.00 0.00 C ATOM 1236 CD GLU A 80 -1.986 0.008 -12.989 1.00 0.00 C ATOM 1237 OE1 GLU A 80 -2.873 0.522 -13.698 1.00 0.00 O ATOM 1238 OE2 GLU A 80 -1.038 -0.666 -13.453 1.00 0.00 O ATOM 0 H GLU A 80 -0.344 1.540 -8.554 1.00 0.00 H new ATOM 0 HA GLU A 80 0.249 1.487 -11.429 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.471 1.693 -10.057 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.200 2.253 -11.695 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.464 -0.575 -10.991 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.155 -0.167 -11.198 1.00 0.00 H new ATOM 1245 N MET A 81 -0.023 4.105 -11.349 1.00 0.00 N ATOM 1246 CA MET A 81 0.003 5.555 -11.283 1.00 0.00 C ATOM 1247 C MET A 81 -1.426 6.114 -11.353 1.00 0.00 C ATOM 1248 O MET A 81 -1.943 6.604 -10.361 1.00 0.00 O ATOM 1249 CB MET A 81 0.918 6.065 -12.408 1.00 0.00 C ATOM 1250 CG MET A 81 0.641 7.520 -12.770 1.00 0.00 C ATOM 1251 SD MET A 81 1.995 8.393 -13.603 1.00 0.00 S ATOM 1252 CE MET A 81 3.182 8.557 -12.234 1.00 0.00 C ATOM 0 H MET A 81 0.218 3.748 -12.274 1.00 0.00 H new ATOM 0 HA MET A 81 0.410 5.905 -10.334 1.00 0.00 H new ATOM 0 HB2 MET A 81 1.959 5.962 -12.101 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.784 5.442 -13.292 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.239 7.554 -13.412 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.391 8.061 -11.858 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.952 9.279 -12.505 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.661 8.900 -11.340 1.00 0.00 H new ATOM 0 HE3 MET A 81 3.645 7.590 -12.036 1.00 0.00 H new ATOM 1262 N ASP A 82 -2.110 6.080 -12.504 1.00 0.00 N ATOM 1263 CA ASP A 82 -3.459 6.678 -12.549 1.00 0.00 C ATOM 1264 C ASP A 82 -4.482 5.725 -11.913 1.00 0.00 C ATOM 1265 O ASP A 82 -5.663 6.055 -11.804 1.00 0.00 O ATOM 1266 CB ASP A 82 -3.944 7.016 -13.965 1.00 0.00 C ATOM 1267 CG ASP A 82 -3.135 8.034 -14.763 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -2.432 8.884 -14.188 1.00 0.00 O ATOM 1269 OD2 ASP A 82 -3.236 8.005 -16.021 1.00 0.00 O ATOM 0 H ASP A 82 -1.778 5.669 -13.377 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.380 7.613 -11.994 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.978 6.090 -14.539 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -4.968 7.383 -13.891 1.00 0.00 H new ATOM 1274 N GLY A 83 -4.062 4.512 -11.542 1.00 0.00 N ATOM 1275 CA GLY A 83 -4.957 3.409 -11.244 1.00 0.00 C ATOM 1276 C GLY A 83 -5.738 2.977 -12.489 1.00 0.00 C ATOM 1277 O GLY A 83 -6.866 2.496 -12.356 1.00 0.00 O ATOM 0 H GLY A 83 -3.075 4.273 -11.441 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.383 2.565 -10.861 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.653 3.704 -10.459 1.00 0.00 H new ATOM 1281 N ILE A 84 -5.132 3.146 -13.680 1.00 0.00 N ATOM 1282 CA ILE A 84 -5.598 2.652 -14.982 1.00 0.00 C ATOM 1283 C ILE A 84 -6.319 1.310 -14.839 1.00 0.00 C ATOM 1284 O ILE A 84 -7.467 1.141 -15.273 1.00 0.00 O ATOM 1285 CB ILE A 84 -4.367 2.541 -15.924 1.00 0.00 C ATOM 1286 CG1 ILE A 84 -3.854 3.939 -16.321 1.00 0.00 C ATOM 1287 CG2 ILE A 84 -4.571 1.646 -17.157 1.00 0.00 C ATOM 1288 CD1 ILE A 84 -2.489 4.237 -15.688 1.00 0.00 C ATOM 0 H ILE A 84 -4.255 3.661 -13.759 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.323 3.347 -15.407 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.603 2.029 -15.339 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.775 4.004 -17.406 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.574 4.695 -16.008 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.658 1.632 -17.752 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.810 0.632 -16.835 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.390 2.038 -17.760 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.157 5.231 -15.989 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.575 4.197 -14.602 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.763 3.496 -16.022 1.00 0.00 H new ATOM 1300 N GLN A 85 -5.621 0.342 -14.270 1.00 0.00 N ATOM 1301 CA GLN A 85 -6.079 -0.998 -14.021 1.00 0.00 C ATOM 1302 C GLN A 85 -6.146 -1.206 -12.512 1.00 0.00 C ATOM 1303 O GLN A 85 -5.708 -0.370 -11.720 1.00 0.00 O ATOM 1304 CB GLN A 85 -5.095 -1.953 -14.711 1.00 0.00 C ATOM 1305 CG GLN A 85 -5.354 -2.107 -16.218 1.00 0.00 C ATOM 1306 CD GLN A 85 -5.838 -3.519 -16.506 1.00 0.00 C ATOM 1307 OE1 GLN A 85 -5.122 -4.481 -16.248 1.00 0.00 O ATOM 1308 NE2 GLN A 85 -7.081 -3.708 -16.916 1.00 0.00 N ATOM 0 H GLN A 85 -4.662 0.488 -13.954 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.075 -1.187 -14.420 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -4.079 -1.589 -14.559 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -5.157 -2.932 -14.237 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.099 -1.382 -16.546 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.441 -1.902 -16.778 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.675 -2.907 -17.130 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.446 -4.655 -17.018 1.00 0.00 H new ATOM 1317 N TYR A 86 -6.654 -2.371 -12.125 1.00 0.00 N ATOM 1318 CA TYR A 86 -6.649 -2.923 -10.776 1.00 0.00 C ATOM 1319 C TYR A 86 -7.491 -2.097 -9.799 1.00 0.00 C ATOM 1320 O TYR A 86 -8.536 -2.579 -9.378 1.00 0.00 O ATOM 1321 CB TYR A 86 -5.214 -3.138 -10.278 1.00 0.00 C ATOM 1322 CG TYR A 86 -4.306 -3.874 -11.246 1.00 0.00 C ATOM 1323 CD1 TYR A 86 -4.264 -5.275 -11.255 1.00 0.00 C ATOM 1324 CD2 TYR A 86 -3.471 -3.150 -12.113 1.00 0.00 C ATOM 1325 CE1 TYR A 86 -3.336 -5.948 -12.074 1.00 0.00 C ATOM 1326 CE2 TYR A 86 -2.551 -3.806 -12.943 1.00 0.00 C ATOM 1327 CZ TYR A 86 -2.462 -5.213 -12.907 1.00 0.00 C ATOM 1328 OH TYR A 86 -1.568 -5.861 -13.699 1.00 0.00 O ATOM 0 H TYR A 86 -7.110 -2.996 -12.790 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.129 -3.900 -10.823 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.773 -2.167 -10.056 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.249 -3.694 -9.341 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.944 -5.839 -10.634 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.539 -2.072 -12.141 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.292 -7.027 -12.065 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.915 -3.238 -13.605 1.00 0.00 H new ATOM 0 HH TYR A 86 -1.046 -5.206 -14.207 1.00 0.00 H new ATOM 1338 N GLY A 87 -7.079 -0.891 -9.406 1.00 0.00 N ATOM 1339 CA GLY A 87 -7.830 -0.023 -8.502 1.00 0.00 C ATOM 1340 C GLY A 87 -9.256 0.146 -9.001 1.00 0.00 C ATOM 1341 O GLY A 87 -10.214 -0.104 -8.267 1.00 0.00 O ATOM 0 H GLY A 87 -6.196 -0.483 -9.714 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.836 -0.449 -7.499 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.344 0.950 -8.432 1.00 0.00 H new ATOM 1345 N ARG A 88 -9.397 0.509 -10.276 1.00 0.00 N ATOM 1346 CA ARG A 88 -10.652 0.423 -11.004 1.00 0.00 C ATOM 1347 C ARG A 88 -10.862 -1.031 -11.443 1.00 0.00 C ATOM 1348 O ARG A 88 -10.660 -1.363 -12.615 1.00 0.00 O ATOM 1349 CB ARG A 88 -10.628 1.456 -12.130 1.00 0.00 C ATOM 1350 CG ARG A 88 -12.055 1.859 -12.538 1.00 0.00 C ATOM 1351 CD ARG A 88 -12.148 1.940 -14.053 1.00 0.00 C ATOM 1352 NE ARG A 88 -13.118 2.943 -14.528 1.00 0.00 N ATOM 1353 CZ ARG A 88 -12.929 4.269 -14.548 1.00 0.00 C ATOM 1354 NH1 ARG A 88 -11.852 4.807 -13.983 1.00 0.00 N ATOM 1355 NH2 ARG A 88 -13.826 5.044 -15.143 1.00 0.00 N ATOM 0 H ARG A 88 -8.627 0.876 -10.836 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.520 0.672 -10.393 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -10.075 2.338 -11.807 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -10.101 1.047 -12.992 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -12.772 1.131 -12.158 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.313 2.821 -12.096 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.164 2.177 -14.458 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.427 0.962 -14.445 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.013 2.596 -14.872 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -11.161 4.209 -13.529 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -11.717 5.818 -14.003 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.649 4.629 -15.579 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -13.692 6.055 -15.164 1.00 0.00 H new ATOM 1369 N SER A 89 -11.180 -1.921 -10.500 1.00 0.00 N ATOM 1370 CA SER A 89 -11.690 -3.283 -10.687 1.00 0.00 C ATOM 1371 C SER A 89 -12.350 -3.757 -9.388 1.00 0.00 C ATOM 1372 O SER A 89 -12.198 -3.125 -8.336 1.00 0.00 O ATOM 1373 CB SER A 89 -10.585 -4.288 -11.058 1.00 0.00 C ATOM 1374 OG SER A 89 -9.912 -3.925 -12.244 1.00 0.00 O ATOM 0 H SER A 89 -11.080 -1.692 -9.511 1.00 0.00 H new ATOM 0 HA SER A 89 -12.403 -3.245 -11.511 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.867 -4.355 -10.240 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.023 -5.279 -11.179 1.00 0.00 H new ATOM 0 HG SER A 89 -10.277 -3.081 -12.582 1.00 0.00 H new ATOM 1380 N GLY A 90 -13.023 -4.906 -9.448 1.00 0.00 N ATOM 1381 CA GLY A 90 -13.618 -5.573 -8.304 1.00 0.00 C ATOM 1382 C GLY A 90 -12.726 -6.681 -7.750 1.00 0.00 C ATOM 1383 O GLY A 90 -13.138 -7.342 -6.799 1.00 0.00 O ATOM 0 H GLY A 90 -13.170 -5.409 -10.323 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -13.813 -4.841 -7.520 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -14.581 -5.995 -8.593 1.00 0.00 H new ATOM 1387 N ILE A 91 -11.536 -6.921 -8.326 1.00 0.00 N ATOM 1388 CA ILE A 91 -10.580 -7.861 -7.757 1.00 0.00 C ATOM 1389 C ILE A 91 -10.102 -7.308 -6.411 1.00 0.00 C ATOM 1390 O ILE A 91 -10.643 -7.647 -5.367 1.00 0.00 O ATOM 1391 CB ILE A 91 -9.476 -8.280 -8.774 1.00 0.00 C ATOM 1392 CG1 ILE A 91 -8.565 -9.333 -8.177 1.00 0.00 C ATOM 1393 CG2 ILE A 91 -8.608 -7.198 -9.448 1.00 0.00 C ATOM 1394 CD1 ILE A 91 -7.708 -10.116 -9.185 1.00 0.00 C ATOM 0 H ILE A 91 -11.221 -6.472 -9.186 1.00 0.00 H new ATOM 0 HA ILE A 91 -11.053 -8.819 -7.543 1.00 0.00 H new ATOM 0 HB ILE A 91 -10.090 -8.651 -9.595 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.901 -8.850 -7.460 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -9.176 -10.042 -7.618 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.895 -7.672 -10.123 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.247 -6.519 -10.013 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.068 -6.637 -8.685 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -7.094 -10.843 -8.653 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.358 -10.636 -9.889 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -7.064 -9.425 -9.729 1.00 0.00 H new ATOM 1406 N THR A 92 -8.998 -6.583 -6.429 1.00 0.00 N ATOM 1407 CA THR A 92 -8.577 -5.468 -5.610 1.00 0.00 C ATOM 1408 C THR A 92 -9.231 -5.291 -4.226 1.00 0.00 C ATOM 1409 O THR A 92 -10.428 -5.025 -4.150 1.00 0.00 O ATOM 1410 CB THR A 92 -8.391 -4.178 -6.419 1.00 0.00 C ATOM 1411 OG1 THR A 92 -8.181 -4.541 -7.771 1.00 0.00 O ATOM 1412 CG2 THR A 92 -7.130 -3.452 -5.936 1.00 0.00 C ATOM 0 H THR A 92 -8.277 -6.797 -7.118 1.00 0.00 H new ATOM 0 HA THR A 92 -7.584 -5.777 -5.283 1.00 0.00 H new ATOM 0 HB THR A 92 -9.265 -3.537 -6.303 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.467 -3.808 -8.355 1.00 0.00 H new ATOM 0 HG21 THR A 92 -6.996 -2.535 -6.510 1.00 0.00 H new ATOM 0 HG22 THR A 92 -7.234 -3.207 -4.879 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.263 -4.097 -6.076 1.00 0.00 H new ATOM 1420 N LEU A 93 -8.461 -5.391 -3.136 1.00 0.00 N ATOM 1421 CA LEU A 93 -8.985 -5.481 -1.767 1.00 0.00 C ATOM 1422 C LEU A 93 -8.656 -4.238 -0.922 1.00 0.00 C ATOM 1423 O LEU A 93 -9.194 -4.096 0.175 1.00 0.00 O ATOM 1424 CB LEU A 93 -8.494 -6.739 -1.039 1.00 0.00 C ATOM 1425 CG LEU A 93 -8.506 -8.080 -1.780 1.00 0.00 C ATOM 1426 CD1 LEU A 93 -9.893 -8.516 -2.233 1.00 0.00 C ATOM 1427 CD2 LEU A 93 -7.482 -8.239 -2.906 1.00 0.00 C ATOM 0 H LEU A 93 -7.442 -5.412 -3.180 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.068 -5.541 -1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.471 -6.552 -0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.098 -6.855 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.175 -8.767 -1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.823 -9.473 -2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -10.544 -8.619 -1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -10.307 -7.768 -2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.586 -9.227 -3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -7.654 -7.475 -3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.476 -8.129 -2.501 1.00 0.00 H new ATOM 1439 N GLY A 94 -7.748 -3.376 -1.388 1.00 0.00 N ATOM 1440 CA GLY A 94 -7.469 -2.041 -0.856 1.00 0.00 C ATOM 1441 C GLY A 94 -6.185 -1.500 -1.470 1.00 0.00 C ATOM 1442 O GLY A 94 -5.663 -2.073 -2.434 1.00 0.00 O ATOM 0 H GLY A 94 -7.158 -3.603 -2.188 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.299 -1.370 -1.077 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.374 -2.084 0.229 1.00 0.00 H new ATOM 1446 N VAL A 95 -5.689 -0.405 -0.905 1.00 0.00 N ATOM 1447 CA VAL A 95 -4.378 0.168 -1.168 1.00 0.00 C ATOM 1448 C VAL A 95 -3.647 0.224 0.166 1.00 0.00 C ATOM 1449 O VAL A 95 -4.243 0.491 1.209 1.00 0.00 O ATOM 1450 CB VAL A 95 -4.489 1.573 -1.813 1.00 0.00 C ATOM 1451 CG1 VAL A 95 -3.204 1.909 -2.567 1.00 0.00 C ATOM 1452 CG2 VAL A 95 -5.670 1.850 -2.752 1.00 0.00 C ATOM 0 H VAL A 95 -6.218 0.132 -0.218 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.829 -0.445 -1.883 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.669 2.209 -0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.294 2.898 -3.016 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.363 1.900 -1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.037 1.169 -3.350 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.608 2.873 -3.122 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -5.636 1.157 -3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.606 1.716 -2.209 1.00 0.00 H new ATOM 1462 N LEU A 96 -2.352 -0.062 0.142 1.00 0.00 N ATOM 1463 CA LEU A 96 -1.497 0.028 1.309 1.00 0.00 C ATOM 1464 C LEU A 96 -1.085 1.477 1.551 1.00 0.00 C ATOM 1465 O LEU A 96 -1.083 2.282 0.615 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.227 -0.790 1.079 1.00 0.00 C ATOM 1467 CG LEU A 96 -0.308 -2.318 1.065 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -1.348 -2.910 2.018 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -0.558 -2.806 -0.349 1.00 0.00 C ATOM 0 H LEU A 96 -1.864 -0.366 -0.700 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.049 -0.352 2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.195 -0.476 0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.488 -0.508 1.852 1.00 0.00 H new ATOM 0 HG LEU A 96 0.656 -2.671 1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.335 -3.997 1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.113 -2.616 3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.338 -2.539 1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.615 -3.895 -0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.497 -2.392 -0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.258 -2.483 -0.995 1.00 0.00 H new ATOM 1481 N VAL A 97 -0.662 1.781 2.777 1.00 0.00 N ATOM 1482 CA VAL A 97 -0.111 3.063 3.214 1.00 0.00 C ATOM 1483 C VAL A 97 0.939 2.821 4.307 1.00 0.00 C ATOM 1484 O VAL A 97 0.868 1.780 4.977 1.00 0.00 O ATOM 1485 CB VAL A 97 -1.248 3.959 3.742 1.00 0.00 C ATOM 1486 CG1 VAL A 97 -2.151 4.416 2.587 1.00 0.00 C ATOM 1487 CG2 VAL A 97 -2.109 3.266 4.819 1.00 0.00 C ATOM 0 H VAL A 97 -0.697 1.100 3.536 1.00 0.00 H new ATOM 0 HA VAL A 97 0.368 3.566 2.374 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.769 4.820 4.208 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.949 5.048 2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.561 4.981 1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.585 3.544 2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.893 3.947 5.152 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.562 2.368 4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.481 2.993 5.667 1.00 0.00 H new ATOM 1497 N PRO A 98 1.910 3.728 4.508 1.00 0.00 N ATOM 1498 CA PRO A 98 2.814 3.643 5.643 1.00 0.00 C ATOM 1499 C PRO A 98 2.022 3.985 6.904 1.00 0.00 C ATOM 1500 O PRO A 98 1.469 5.072 7.015 1.00 0.00 O ATOM 1501 CB PRO A 98 3.956 4.614 5.342 1.00 0.00 C ATOM 1502 CG PRO A 98 3.398 5.607 4.328 1.00 0.00 C ATOM 1503 CD PRO A 98 2.182 4.918 3.707 1.00 0.00 C ATOM 0 HA PRO A 98 3.239 2.653 5.808 1.00 0.00 H new ATOM 0 HB2 PRO A 98 4.286 5.123 6.248 1.00 0.00 H new ATOM 0 HB3 PRO A 98 4.821 4.088 4.939 1.00 0.00 H new ATOM 0 HG2 PRO A 98 3.115 6.543 4.810 1.00 0.00 H new ATOM 0 HG3 PRO A 98 4.141 5.851 3.569 1.00 0.00 H new ATOM 0 HD2 PRO A 98 1.320 5.586 3.704 1.00 0.00 H new ATOM 0 HD3 PRO A 98 2.380 4.648 2.670 1.00 0.00 H new ATOM 1511 N HIS A 99 1.918 3.031 7.829 1.00 0.00 N ATOM 1512 CA HIS A 99 1.244 3.226 9.101 1.00 0.00 C ATOM 1513 C HIS A 99 2.095 4.149 9.974 1.00 0.00 C ATOM 1514 O HIS A 99 3.195 3.769 10.390 1.00 0.00 O ATOM 1515 CB HIS A 99 0.994 1.871 9.793 1.00 0.00 C ATOM 1516 CG HIS A 99 0.671 2.020 11.258 1.00 0.00 C ATOM 1517 ND1 HIS A 99 1.484 1.653 12.311 1.00 0.00 N ATOM 1518 CD2 HIS A 99 -0.402 2.688 11.779 1.00 0.00 C ATOM 1519 CE1 HIS A 99 0.909 2.081 13.444 1.00 0.00 C ATOM 1520 NE2 HIS A 99 -0.260 2.680 13.169 1.00 0.00 N ATOM 0 H HIS A 99 2.305 2.095 7.710 1.00 0.00 H new ATOM 0 HA HIS A 99 0.271 3.690 8.938 1.00 0.00 H new ATOM 0 HB2 HIS A 99 0.172 1.358 9.294 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.877 1.242 9.681 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.209 3.138 11.220 1.00 0.00 H new ATOM 0 HE1 HIS A 99 1.326 1.961 14.433 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -0.921 3.058 13.847 1.00 0.00 H new ATOM 1528 N VAL A 100 1.561 5.319 10.293 1.00 0.00 N ATOM 1529 CA VAL A 100 2.062 6.295 11.242 1.00 0.00 C ATOM 1530 C VAL A 100 0.908 6.608 12.215 1.00 0.00 C ATOM 1531 O VAL A 100 0.375 7.713 12.253 1.00 0.00 O ATOM 1532 CB VAL A 100 2.642 7.508 10.470 1.00 0.00 C ATOM 1533 CG1 VAL A 100 3.167 8.613 11.403 1.00 0.00 C ATOM 1534 CG2 VAL A 100 3.810 7.068 9.566 1.00 0.00 C ATOM 0 H VAL A 100 0.694 5.633 9.857 1.00 0.00 H new ATOM 0 HA VAL A 100 2.895 5.933 11.845 1.00 0.00 H new ATOM 0 HB VAL A 100 1.816 7.906 9.880 1.00 0.00 H new ATOM 0 HG11 VAL A 100 3.561 9.436 10.807 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.353 8.976 12.031 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.960 8.210 12.034 1.00 0.00 H new ATOM 0 HG21 VAL A 100 4.203 7.933 9.033 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.598 6.630 10.178 1.00 0.00 H new ATOM 0 HG23 VAL A 100 3.455 6.329 8.847 1.00 0.00 H new ATOM 1544 N GLY A 101 0.522 5.621 13.031 1.00 0.00 N ATOM 1545 CA GLY A 101 -0.230 5.818 14.267 1.00 0.00 C ATOM 1546 C GLY A 101 -1.666 6.304 14.113 1.00 0.00 C ATOM 1547 O GLY A 101 -2.234 6.799 15.079 1.00 0.00 O ATOM 0 H GLY A 101 0.731 4.641 12.842 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -0.245 4.875 14.813 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.310 6.535 14.885 1.00 0.00 H new ATOM 1551 N GLU A 102 -2.272 6.153 12.937 1.00 0.00 N ATOM 1552 CA GLU A 102 -3.482 6.875 12.528 1.00 0.00 C ATOM 1553 C GLU A 102 -4.786 6.419 13.169 1.00 0.00 C ATOM 1554 O GLU A 102 -5.853 6.960 12.883 1.00 0.00 O ATOM 1555 CB GLU A 102 -3.584 6.802 11.013 1.00 0.00 C ATOM 1556 CG GLU A 102 -2.349 7.483 10.439 1.00 0.00 C ATOM 1557 CD GLU A 102 -1.325 6.520 9.863 1.00 0.00 C ATOM 1558 OE1 GLU A 102 -1.205 5.388 10.372 1.00 0.00 O ATOM 1559 OE2 GLU A 102 -0.597 6.930 8.934 1.00 0.00 O ATOM 0 H GLU A 102 -1.929 5.510 12.223 1.00 0.00 H new ATOM 0 HA GLU A 102 -3.362 7.896 12.889 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.639 5.765 10.682 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -4.491 7.296 10.665 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.659 8.177 9.658 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.876 8.075 11.222 1.00 0.00 H new ATOM 1566 N THR A 103 -4.663 5.432 14.037 1.00 0.00 N ATOM 1567 CA THR A 103 -5.665 4.730 14.814 1.00 0.00 C ATOM 1568 C THR A 103 -6.552 3.865 13.901 1.00 0.00 C ATOM 1569 O THR A 103 -7.442 4.378 13.220 1.00 0.00 O ATOM 1570 CB THR A 103 -6.445 5.732 15.660 1.00 0.00 C ATOM 1571 OG1 THR A 103 -5.639 6.337 16.654 1.00 0.00 O ATOM 1572 CG2 THR A 103 -7.658 5.103 16.344 1.00 0.00 C ATOM 0 H THR A 103 -3.736 5.057 14.238 1.00 0.00 H new ATOM 0 HA THR A 103 -5.189 4.034 15.505 1.00 0.00 H new ATOM 0 HB THR A 103 -6.785 6.491 14.955 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.178 6.972 17.170 1.00 0.00 H new ATOM 0 HG21 THR A 103 -8.177 5.860 16.933 1.00 0.00 H new ATOM 0 HG22 THR A 103 -8.335 4.704 15.589 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.329 4.296 16.999 1.00 0.00 H new ATOM 1580 N PRO A 104 -6.322 2.543 13.852 1.00 0.00 N ATOM 1581 CA PRO A 104 -7.169 1.655 13.090 1.00 0.00 C ATOM 1582 C PRO A 104 -8.584 1.576 13.636 1.00 0.00 C ATOM 1583 O PRO A 104 -8.859 1.807 14.816 1.00 0.00 O ATOM 1584 CB PRO A 104 -6.487 0.287 13.085 1.00 0.00 C ATOM 1585 CG PRO A 104 -5.503 0.343 14.249 1.00 0.00 C ATOM 1586 CD PRO A 104 -5.175 1.826 14.369 1.00 0.00 C ATOM 0 HA PRO A 104 -7.285 2.036 12.075 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -7.211 -0.517 13.216 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -5.974 0.103 12.141 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -5.945 -0.046 15.167 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.611 -0.250 14.049 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -4.983 2.098 15.407 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.276 2.072 13.803 1.00 0.00 H new ATOM 1594 N ILE A 105 -9.466 1.155 12.739 1.00 0.00 N ATOM 1595 CA ILE A 105 -10.856 0.816 13.000 1.00 0.00 C ATOM 1596 C ILE A 105 -11.064 -0.700 12.886 1.00 0.00 C ATOM 1597 O ILE A 105 -12.083 -1.227 13.339 1.00 0.00 O ATOM 1598 CB ILE A 105 -11.755 1.587 12.005 1.00 0.00 C ATOM 1599 CG1 ILE A 105 -11.357 1.319 10.526 1.00 0.00 C ATOM 1600 CG2 ILE A 105 -11.810 3.084 12.376 1.00 0.00 C ATOM 1601 CD1 ILE A 105 -10.495 2.399 9.864 1.00 0.00 C ATOM 0 H ILE A 105 -9.216 1.035 11.757 1.00 0.00 H new ATOM 0 HA ILE A 105 -11.127 1.106 14.015 1.00 0.00 H new ATOM 0 HB ILE A 105 -12.773 1.207 12.091 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -10.819 0.372 10.480 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.268 1.197 9.940 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.447 3.612 11.666 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -12.217 3.195 13.381 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -10.805 3.504 12.344 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.276 2.111 8.836 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -11.033 3.347 9.868 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -9.562 2.509 10.416 1.00 0.00 H new ATOM 1613 N ALA A 106 -10.130 -1.416 12.256 1.00 0.00 N ATOM 1614 CA ALA A 106 -10.233 -2.814 11.876 1.00 0.00 C ATOM 1615 C ALA A 106 -8.843 -3.317 11.494 1.00 0.00 C ATOM 1616 O ALA A 106 -7.899 -2.533 11.410 1.00 0.00 O ATOM 1617 CB ALA A 106 -11.197 -2.929 10.681 1.00 0.00 C ATOM 0 H ALA A 106 -9.235 -1.007 11.986 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.616 -3.416 12.700 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.285 -3.974 10.384 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -12.178 -2.549 10.967 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -10.812 -2.345 9.845 1.00 0.00 H new ATOM 1623 N TYR A 107 -8.727 -4.618 11.236 1.00 0.00 N ATOM 1624 CA TYR A 107 -7.548 -5.305 10.726 1.00 0.00 C ATOM 1625 C TYR A 107 -7.989 -6.194 9.559 1.00 0.00 C ATOM 1626 O TYR A 107 -9.126 -6.671 9.528 1.00 0.00 O ATOM 1627 CB TYR A 107 -6.875 -6.131 11.842 1.00 0.00 C ATOM 1628 CG TYR A 107 -5.843 -5.382 12.672 1.00 0.00 C ATOM 1629 CD1 TYR A 107 -6.217 -4.253 13.423 1.00 0.00 C ATOM 1630 CD2 TYR A 107 -4.496 -5.804 12.686 1.00 0.00 C ATOM 1631 CE1 TYR A 107 -5.251 -3.523 14.130 1.00 0.00 C ATOM 1632 CE2 TYR A 107 -3.532 -5.109 13.441 1.00 0.00 C ATOM 1633 CZ TYR A 107 -3.912 -3.960 14.172 1.00 0.00 C ATOM 1634 OH TYR A 107 -3.009 -3.247 14.898 1.00 0.00 O ATOM 0 H TYR A 107 -9.505 -5.259 11.388 1.00 0.00 H new ATOM 0 HA TYR A 107 -6.808 -4.584 10.377 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.650 -6.508 12.510 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -6.394 -6.998 11.390 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.252 -3.947 13.455 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -4.202 -6.670 12.111 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.536 -2.618 14.647 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.508 -5.452 13.462 1.00 0.00 H new ATOM 0 HH TYR A 107 -2.128 -3.671 14.832 1.00 0.00 H new ATOM 1644 N ARG A 108 -7.097 -6.445 8.602 1.00 0.00 N ATOM 1645 CA ARG A 108 -7.359 -7.196 7.376 1.00 0.00 C ATOM 1646 C ARG A 108 -6.233 -8.178 7.143 1.00 0.00 C ATOM 1647 O ARG A 108 -5.123 -7.788 6.768 1.00 0.00 O ATOM 1648 CB ARG A 108 -7.519 -6.253 6.191 1.00 0.00 C ATOM 1649 CG ARG A 108 -8.962 -5.778 6.029 1.00 0.00 C ATOM 1650 CD ARG A 108 -9.828 -6.699 5.164 1.00 0.00 C ATOM 1651 NE ARG A 108 -10.950 -5.949 4.585 1.00 0.00 N ATOM 1652 CZ ARG A 108 -10.958 -5.267 3.432 1.00 0.00 C ATOM 1653 NH1 ARG A 108 -9.922 -5.327 2.596 1.00 0.00 N ATOM 1654 NH2 ARG A 108 -12.024 -4.547 3.115 1.00 0.00 N ATOM 0 H ARG A 108 -6.133 -6.117 8.662 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.293 -7.748 7.482 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -6.866 -5.390 6.323 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.199 -6.758 5.280 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.417 -5.689 7.015 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.958 -4.781 5.589 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.224 -7.135 4.368 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -10.206 -7.525 5.766 1.00 0.00 H new ATOM 0 HE ARG A 108 -11.819 -5.947 5.120 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.110 -5.897 2.831 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -9.941 -4.803 1.721 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -12.825 -4.517 3.746 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -12.044 -4.023 2.240 1.00 0.00 H new ATOM 1668 N ASN A 109 -6.529 -9.452 7.367 1.00 0.00 N ATOM 1669 CA ASN A 109 -5.618 -10.539 7.023 1.00 0.00 C ATOM 1670 C ASN A 109 -5.674 -10.847 5.537 1.00 0.00 C ATOM 1671 O ASN A 109 -6.714 -10.670 4.901 1.00 0.00 O ATOM 1672 CB ASN A 109 -5.866 -11.817 7.839 1.00 0.00 C ATOM 1673 CG ASN A 109 -7.111 -12.604 7.416 1.00 0.00 C ATOM 1674 OD1 ASN A 109 -7.232 -13.076 6.289 1.00 0.00 O ATOM 1675 ND2 ASN A 109 -8.059 -12.791 8.305 1.00 0.00 N ATOM 0 H ASN A 109 -7.404 -9.761 7.791 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.619 -10.187 7.280 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.994 -12.465 7.751 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.960 -11.550 8.891 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -8.891 -13.326 8.058 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -7.963 -12.401 9.243 1.00 0.00 H new ATOM 1682 N VAL A 110 -4.574 -11.403 5.040 1.00 0.00 N ATOM 1683 CA VAL A 110 -4.372 -11.944 3.705 1.00 0.00 C ATOM 1684 C VAL A 110 -3.368 -13.103 3.818 1.00 0.00 C ATOM 1685 O VAL A 110 -2.881 -13.401 4.912 1.00 0.00 O ATOM 1686 CB VAL A 110 -3.868 -10.828 2.762 1.00 0.00 C ATOM 1687 CG1 VAL A 110 -4.937 -9.750 2.542 1.00 0.00 C ATOM 1688 CG2 VAL A 110 -2.571 -10.156 3.249 1.00 0.00 C ATOM 0 H VAL A 110 -3.733 -11.493 5.610 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.303 -12.321 3.282 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.651 -11.330 1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.547 -8.982 1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -5.823 -10.202 2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.201 -9.299 3.498 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.274 -9.383 2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -2.739 -9.706 4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -1.780 -10.903 3.324 1.00 0.00 H new ATOM 1698 N LEU A 111 -3.045 -13.777 2.716 1.00 0.00 N ATOM 1699 CA LEU A 111 -1.797 -14.521 2.565 1.00 0.00 C ATOM 1700 C LEU A 111 -0.862 -13.694 1.666 1.00 0.00 C ATOM 1701 O LEU A 111 -1.313 -12.744 1.018 1.00 0.00 O ATOM 1702 CB LEU A 111 -2.081 -15.867 1.870 1.00 0.00 C ATOM 1703 CG LEU A 111 -2.656 -17.078 2.610 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -1.666 -17.777 3.533 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -3.957 -16.766 3.347 1.00 0.00 C ATOM 0 H LEU A 111 -3.649 -13.822 1.895 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.346 -14.703 3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.763 -15.653 1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.140 -16.192 1.427 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.885 -17.785 1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -2.155 -18.623 4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.816 -18.133 2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -1.318 -17.076 4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.314 -17.664 3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.779 -15.983 4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.708 -16.428 2.633 1.00 0.00 H new ATOM 1717 N LEU A 112 0.414 -14.082 1.585 1.00 0.00 N ATOM 1718 CA LEU A 112 1.530 -13.436 0.905 1.00 0.00 C ATOM 1719 C LEU A 112 2.359 -14.522 0.206 1.00 0.00 C ATOM 1720 O LEU A 112 2.937 -15.394 0.860 1.00 0.00 O ATOM 1721 CB LEU A 112 2.411 -12.699 1.937 1.00 0.00 C ATOM 1722 CG LEU A 112 3.289 -11.531 1.421 1.00 0.00 C ATOM 1723 CD1 LEU A 112 3.614 -11.548 -0.077 1.00 0.00 C ATOM 1724 CD2 LEU A 112 2.644 -10.192 1.775 1.00 0.00 C ATOM 0 H LEU A 112 0.716 -14.943 2.041 1.00 0.00 H new ATOM 0 HA LEU A 112 1.160 -12.714 0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.759 -12.310 2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.068 -13.433 2.404 1.00 0.00 H new ATOM 0 HG LEU A 112 4.244 -11.668 1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.233 -10.685 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.153 -12.463 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.688 -11.507 -0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 112 3.269 -9.378 1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.659 -10.129 1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.543 -10.112 2.857 1.00 0.00 H new ATOM 1736 N ARG A 113 2.395 -14.485 -1.125 1.00 0.00 N ATOM 1737 CA ARG A 113 3.199 -15.340 -1.995 1.00 0.00 C ATOM 1738 C ARG A 113 4.646 -15.381 -1.531 1.00 0.00 C ATOM 1739 O ARG A 113 5.294 -14.336 -1.426 1.00 0.00 O ATOM 1740 CB ARG A 113 3.157 -14.782 -3.421 1.00 0.00 C ATOM 1741 CG ARG A 113 2.017 -15.375 -4.249 1.00 0.00 C ATOM 1742 CD ARG A 113 1.812 -14.522 -5.495 1.00 0.00 C ATOM 1743 NE ARG A 113 1.549 -15.328 -6.695 1.00 0.00 N ATOM 1744 CZ ARG A 113 2.112 -15.146 -7.894 1.00 0.00 C ATOM 1745 NH1 ARG A 113 2.879 -14.085 -8.135 1.00 0.00 N ATOM 1746 NH2 ARG A 113 1.913 -16.019 -8.870 1.00 0.00 N ATOM 0 H ARG A 113 1.832 -13.820 -1.655 1.00 0.00 H new ATOM 0 HA ARG A 113 2.790 -16.350 -1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 113 3.047 -13.698 -3.380 1.00 0.00 H new ATOM 0 HB3 ARG A 113 4.106 -14.987 -3.916 1.00 0.00 H new ATOM 0 HG2 ARG A 113 2.251 -16.402 -4.530 1.00 0.00 H new ATOM 0 HG3 ARG A 113 1.101 -15.407 -3.660 1.00 0.00 H new ATOM 0 HD2 ARG A 113 0.978 -13.840 -5.330 1.00 0.00 H new ATOM 0 HD3 ARG A 113 2.698 -13.909 -5.661 1.00 0.00 H new ATOM 0 HE ARG A 113 0.879 -16.092 -6.606 1.00 0.00 H new ATOM 0 HH11 ARG A 113 3.044 -13.397 -7.400 1.00 0.00 H new ATOM 0 HH12 ARG A 113 3.302 -13.960 -9.055 1.00 0.00 H new ATOM 0 HH21 ARG A 113 1.326 -16.838 -8.710 1.00 0.00 H new ATOM 0 HH22 ARG A 113 2.346 -15.872 -9.782 1.00 0.00 H new ATOM 1760 N LYS A 114 5.171 -16.579 -1.306 1.00 0.00 N ATOM 1761 CA LYS A 114 6.580 -16.803 -1.036 1.00 0.00 C ATOM 1762 C LYS A 114 6.951 -18.094 -1.731 1.00 0.00 C ATOM 1763 O LYS A 114 6.554 -19.171 -1.290 1.00 0.00 O ATOM 1764 CB LYS A 114 6.847 -16.850 0.474 1.00 0.00 C ATOM 1765 CG LYS A 114 6.900 -15.434 1.069 1.00 0.00 C ATOM 1766 CD LYS A 114 7.804 -15.343 2.300 1.00 0.00 C ATOM 1767 CE LYS A 114 7.505 -14.022 3.015 1.00 0.00 C ATOM 1768 NZ LYS A 114 8.126 -13.943 4.351 1.00 0.00 N ATOM 0 H LYS A 114 4.617 -17.435 -1.307 1.00 0.00 H new ATOM 0 HA LYS A 114 7.196 -15.987 -1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 114 6.064 -17.426 0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 114 7.789 -17.364 0.664 1.00 0.00 H new ATOM 0 HG2 LYS A 114 7.257 -14.739 0.309 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.892 -15.120 1.340 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.624 -16.186 2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 114 8.853 -15.388 2.006 1.00 0.00 H new ATOM 0 HE2 LYS A 114 7.863 -13.194 2.403 1.00 0.00 H new ATOM 0 HE3 LYS A 114 6.426 -13.903 3.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.892 -13.030 4.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.766 -14.716 4.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 9.158 -14.028 4.260 1.00 0.00 H new ATOM 1782 N ASN A 115 7.667 -17.959 -2.846 1.00 0.00 N ATOM 1783 CA ASN A 115 8.020 -19.069 -3.725 1.00 0.00 C ATOM 1784 C ASN A 115 8.924 -20.022 -2.952 1.00 0.00 C ATOM 1785 O ASN A 115 8.666 -21.220 -2.874 1.00 0.00 O ATOM 1786 CB ASN A 115 8.699 -18.550 -5.014 1.00 0.00 C ATOM 1787 CG ASN A 115 7.882 -17.475 -5.726 1.00 0.00 C ATOM 1788 OD1 ASN A 115 6.689 -17.327 -5.491 1.00 0.00 O ATOM 1789 ND2 ASN A 115 8.496 -16.632 -6.530 1.00 0.00 N ATOM 0 H ASN A 115 8.023 -17.059 -3.168 1.00 0.00 H new ATOM 0 HA ASN A 115 7.123 -19.603 -4.038 1.00 0.00 H new ATOM 0 HB2 ASN A 115 9.680 -18.147 -4.764 1.00 0.00 H new ATOM 0 HB3 ASN A 115 8.861 -19.386 -5.695 1.00 0.00 H new ATOM 0 HD21 ASN A 115 7.978 -15.862 -6.953 1.00 0.00 H new ATOM 0 HD22 ASN A 115 9.489 -16.749 -6.730 1.00 0.00 H new ATOM 1796 N GLY A 116 9.965 -19.479 -2.325 1.00 0.00 N ATOM 1797 CA GLY A 116 10.874 -20.174 -1.435 1.00 0.00 C ATOM 1798 C GLY A 116 11.986 -19.224 -1.063 1.00 0.00 C ATOM 1799 O GLY A 116 11.779 -18.007 -1.250 1.00 0.00 O ATOM 0 H GLY A 116 10.204 -18.493 -2.433 1.00 0.00 H new ATOM 0 HA2 GLY A 116 10.348 -20.512 -0.542 1.00 0.00 H new ATOM 0 HA3 GLY A 116 11.279 -21.061 -1.922 1.00 0.00 H new TER 1803 GLY A 116