USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 838 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 1 ASN N :NH3+ -157:sc= -1.86 (180deg=-0.115) USER MOD Set 1.2: A 2 GLN : amide:sc= -4.36! C(o=-6.2!,f=-9.5!) USER MOD Single : A 1 ASN : amide:sc= -0.67 X(o=-0.67,f=-0.42) USER MOD Single : A 5 ASN : amide:sc= -5.67! C(o=-5.7!,f=-17!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.117 K(o=-0.12,f=-3.5!) USER MOD Single : A 15 ASN : amide:sc= -0.523 K(o=-0.52,f=-4.6!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -4:sc= 0.64 USER MOD Single : A 31 THR OG1 : rot -97:sc= 1.09 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot -142:sc= -1.91! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 178:sc= 0 (180deg=-0.00807) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.225) USER MOD Single : A 47 SER OG : rot 180:sc= -0.314 USER MOD Single : A 50 HIS : no HD1:sc= -5.92! K(o=-5.9!,f=-3.7) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -4.05! K(o=-4!,f=-1.6) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 67 THR OG1 : rot -18:sc= 0.822 USER MOD Single : A 68 ASN : amide:sc= -1.98 K(o=-2,f=-7.5!) USER MOD Single : A 69 THR OG1 : rot -18:sc= 0.58 USER MOD Single : A 73 HIS : no HD1:sc= -0.993! C(o=-0.99!,f=-3.4!) USER MOD Single : A 75 HIS : no HD1:sc= -2.03! K(o=-2!,f=-0.73) USER MOD Single : A 76 ASN : amide:sc= -0.899 K(o=-0.9,f=-0.002) USER MOD Single : A 80 LYS NZ :NH3+ -156:sc= -0.0775 (180deg=-0.607) USER MOD Single : A 83 LYS NZ :NH3+ 157:sc= -0.0734 (180deg=-0.499) USER MOD Single : A 84 SER OG : rot 180:sc= -0.391 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.581 X(o=-0.58,f=-0.084) USER MOD Single : A 99 ASN : amide:sc= -2.59! C(o=-2.6!,f=-3.4!) USER MOD Single : A 102 THR OG1 : rot -69:sc= 0.0419 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -18.779 -0.652 -8.182 1.00 0.00 N ATOM 2 CA ASN A 1 -19.766 0.372 -8.629 1.00 0.00 C ATOM 3 C ASN A 1 -21.159 -0.256 -8.692 1.00 0.00 C ATOM 4 O ASN A 1 -21.939 0.027 -9.580 1.00 0.00 O ATOM 5 CB ASN A 1 -19.375 0.888 -10.015 1.00 0.00 C ATOM 6 CG ASN A 1 -20.237 2.100 -10.372 1.00 0.00 C ATOM 7 OD1 ASN A 1 -20.107 3.149 -9.774 1.00 0.00 O ATOM 8 ND2 ASN A 1 -21.118 1.999 -11.328 1.00 0.00 N ATOM 0 H1 ASN A 1 -17.950 -0.178 -7.769 1.00 0.00 H new ATOM 0 H2 ASN A 1 -19.217 -1.268 -7.468 1.00 0.00 H new ATOM 0 H3 ASN A 1 -18.480 -1.225 -8.997 1.00 0.00 H new ATOM 0 HA ASN A 1 -19.773 1.202 -7.922 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -18.320 1.163 -10.028 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -19.509 0.102 -10.758 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -21.698 2.801 -11.574 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -21.227 1.118 -11.830 1.00 0.00 H new ATOM 17 N GLN A 2 -21.476 -1.111 -7.756 1.00 0.00 N ATOM 18 CA GLN A 2 -22.820 -1.765 -7.755 1.00 0.00 C ATOM 19 C GLN A 2 -23.178 -2.184 -6.327 1.00 0.00 C ATOM 20 O GLN A 2 -23.643 -3.282 -6.089 1.00 0.00 O ATOM 21 CB GLN A 2 -22.792 -3.001 -8.663 1.00 0.00 C ATOM 22 CG GLN A 2 -21.569 -3.873 -8.335 1.00 0.00 C ATOM 23 CD GLN A 2 -20.302 -3.239 -8.919 1.00 0.00 C ATOM 24 OE1 GLN A 2 -20.364 -2.520 -9.897 1.00 0.00 O ATOM 25 NE2 GLN A 2 -19.149 -3.478 -8.357 1.00 0.00 N ATOM 0 H GLN A 2 -20.861 -1.386 -6.990 1.00 0.00 H new ATOM 0 HA GLN A 2 -23.567 -1.064 -8.127 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -23.706 -3.579 -8.530 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -22.758 -2.693 -9.708 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -21.467 -3.980 -7.255 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -21.706 -4.874 -8.743 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -19.097 -4.081 -7.536 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -18.300 -3.061 -8.738 1.00 0.00 H new ATOM 34 N GLY A 3 -22.967 -1.316 -5.373 1.00 0.00 N ATOM 35 CA GLY A 3 -23.295 -1.655 -3.955 1.00 0.00 C ATOM 36 C GLY A 3 -22.138 -2.441 -3.335 1.00 0.00 C ATOM 37 O GLY A 3 -22.280 -3.058 -2.298 1.00 0.00 O ATOM 0 H GLY A 3 -22.580 -0.383 -5.515 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -23.476 -0.744 -3.385 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -24.211 -2.244 -3.914 1.00 0.00 H new ATOM 41 N ASP A 4 -20.993 -2.422 -3.959 1.00 0.00 N ATOM 42 CA ASP A 4 -19.827 -3.164 -3.404 1.00 0.00 C ATOM 43 C ASP A 4 -18.550 -2.707 -4.113 1.00 0.00 C ATOM 44 O ASP A 4 -18.592 -1.921 -5.038 1.00 0.00 O ATOM 45 CB ASP A 4 -20.023 -4.667 -3.620 1.00 0.00 C ATOM 46 CG ASP A 4 -20.314 -4.938 -5.097 1.00 0.00 C ATOM 47 OD1 ASP A 4 -19.494 -4.568 -5.920 1.00 0.00 O ATOM 48 OD2 ASP A 4 -21.353 -5.511 -5.380 1.00 0.00 O ATOM 0 H ASP A 4 -20.814 -1.924 -4.831 1.00 0.00 H new ATOM 0 HA ASP A 4 -19.743 -2.962 -2.336 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -19.130 -5.209 -3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -20.846 -5.029 -3.004 1.00 0.00 H new ATOM 53 N ASN A 5 -17.418 -3.195 -3.687 1.00 0.00 N ATOM 54 CA ASN A 5 -16.136 -2.792 -4.334 1.00 0.00 C ATOM 55 C ASN A 5 -14.986 -3.553 -3.663 1.00 0.00 C ATOM 56 O ASN A 5 -14.672 -3.332 -2.509 1.00 0.00 O ATOM 57 CB ASN A 5 -15.931 -1.279 -4.167 1.00 0.00 C ATOM 58 CG ASN A 5 -16.363 -0.856 -2.763 1.00 0.00 C ATOM 59 OD1 ASN A 5 -16.392 -1.663 -1.855 1.00 0.00 O ATOM 60 ND2 ASN A 5 -16.701 0.385 -2.544 1.00 0.00 N ATOM 0 H ASN A 5 -17.324 -3.857 -2.917 1.00 0.00 H new ATOM 0 HA ASN A 5 -16.162 -3.029 -5.398 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -14.884 -1.023 -4.329 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -16.510 -0.738 -4.915 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -16.990 0.678 -1.611 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -16.677 1.062 -3.306 1.00 0.00 H new ATOM 67 N GLU A 6 -14.361 -4.455 -4.376 1.00 0.00 N ATOM 68 CA GLU A 6 -13.240 -5.235 -3.776 1.00 0.00 C ATOM 69 C GLU A 6 -12.417 -5.900 -4.884 1.00 0.00 C ATOM 70 O GLU A 6 -12.900 -6.142 -5.972 1.00 0.00 O ATOM 71 CB GLU A 6 -13.816 -6.312 -2.852 1.00 0.00 C ATOM 72 CG GLU A 6 -14.675 -7.286 -3.669 1.00 0.00 C ATOM 73 CD GLU A 6 -15.477 -8.182 -2.722 1.00 0.00 C ATOM 74 OE1 GLU A 6 -14.869 -8.786 -1.853 1.00 0.00 O ATOM 75 OE2 GLU A 6 -16.685 -8.247 -2.882 1.00 0.00 O ATOM 0 H GLU A 6 -14.579 -4.684 -5.346 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.596 -4.565 -3.207 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.008 -6.851 -2.357 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.417 -5.850 -2.069 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.350 -6.732 -4.321 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.040 -7.896 -4.312 1.00 0.00 H new ATOM 82 N ILE A 7 -11.172 -6.203 -4.608 1.00 0.00 N ATOM 83 CA ILE A 7 -10.297 -6.859 -5.631 1.00 0.00 C ATOM 84 C ILE A 7 -9.325 -7.808 -4.924 1.00 0.00 C ATOM 85 O ILE A 7 -9.131 -7.727 -3.727 1.00 0.00 O ATOM 86 CB ILE A 7 -9.515 -5.792 -6.405 1.00 0.00 C ATOM 87 CG1 ILE A 7 -8.716 -4.925 -5.426 1.00 0.00 C ATOM 88 CG2 ILE A 7 -10.496 -4.911 -7.187 1.00 0.00 C ATOM 89 CD1 ILE A 7 -7.982 -3.821 -6.191 1.00 0.00 C ATOM 0 H ILE A 7 -10.721 -6.023 -3.711 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.912 -7.423 -6.332 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.828 -6.278 -7.098 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.385 -4.485 -4.687 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.000 -5.541 -4.882 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.942 -4.151 -7.739 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -11.061 -5.528 -7.886 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -11.183 -4.427 -6.493 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.416 -3.208 -5.490 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.300 -4.270 -6.913 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.707 -3.198 -6.715 1.00 0.00 H new ATOM 101 N SER A 8 -8.718 -8.714 -5.654 1.00 0.00 N ATOM 102 CA SER A 8 -7.756 -9.688 -5.037 1.00 0.00 C ATOM 103 C SER A 8 -6.500 -9.788 -5.896 1.00 0.00 C ATOM 104 O SER A 8 -6.555 -9.763 -7.109 1.00 0.00 O ATOM 105 CB SER A 8 -8.418 -11.064 -4.950 1.00 0.00 C ATOM 106 OG SER A 8 -7.457 -12.020 -4.524 1.00 0.00 O ATOM 0 H SER A 8 -8.848 -8.822 -6.660 1.00 0.00 H new ATOM 0 HA SER A 8 -7.484 -9.344 -4.039 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.254 -11.035 -4.251 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.824 -11.347 -5.921 1.00 0.00 H new ATOM 0 HG SER A 8 -7.878 -12.903 -4.465 1.00 0.00 H new ATOM 112 N VAL A 9 -5.363 -9.908 -5.260 1.00 0.00 N ATOM 113 CA VAL A 9 -4.069 -10.019 -6.009 1.00 0.00 C ATOM 114 C VAL A 9 -3.195 -11.072 -5.330 1.00 0.00 C ATOM 115 O VAL A 9 -2.465 -10.784 -4.402 1.00 0.00 O ATOM 116 CB VAL A 9 -3.351 -8.669 -5.985 1.00 0.00 C ATOM 117 CG1 VAL A 9 -2.134 -8.722 -6.911 1.00 0.00 C ATOM 118 CG2 VAL A 9 -4.308 -7.575 -6.463 1.00 0.00 C ATOM 0 H VAL A 9 -5.272 -9.934 -4.244 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.261 -10.307 -7.043 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.025 -8.449 -4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.622 -7.760 -6.894 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.452 -9.502 -6.572 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.460 -8.942 -7.928 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.797 -6.612 -6.446 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.634 -7.795 -7.480 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.175 -7.537 -5.804 1.00 0.00 H new ATOM 128 N GLY A 10 -3.272 -12.294 -5.779 1.00 0.00 N ATOM 129 CA GLY A 10 -2.457 -13.374 -5.155 1.00 0.00 C ATOM 130 C GLY A 10 -3.110 -13.798 -3.839 1.00 0.00 C ATOM 131 O GLY A 10 -4.240 -14.244 -3.815 1.00 0.00 O ATOM 0 H GLY A 10 -3.866 -12.592 -6.553 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.383 -14.227 -5.830 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.441 -13.022 -4.974 1.00 0.00 H new ATOM 135 N ASN A 11 -2.407 -13.660 -2.742 1.00 0.00 N ATOM 136 CA ASN A 11 -2.974 -14.053 -1.411 1.00 0.00 C ATOM 137 C ASN A 11 -3.450 -12.805 -0.661 1.00 0.00 C ATOM 138 O ASN A 11 -3.744 -12.861 0.519 1.00 0.00 O ATOM 139 CB ASN A 11 -1.886 -14.747 -0.589 1.00 0.00 C ATOM 140 CG ASN A 11 -1.561 -16.104 -1.215 1.00 0.00 C ATOM 141 OD1 ASN A 11 -2.009 -16.407 -2.304 1.00 0.00 O ATOM 142 ND2 ASN A 11 -0.795 -16.940 -0.570 1.00 0.00 N ATOM 0 H ASN A 11 -1.457 -13.289 -2.710 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.817 -14.728 -1.561 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.990 -14.127 -0.554 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.222 -14.880 0.439 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -0.572 -17.847 -0.979 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.419 -16.686 0.344 1.00 0.00 H new ATOM 149 N LEU A 12 -3.507 -11.671 -1.330 1.00 0.00 N ATOM 150 CA LEU A 12 -3.945 -10.401 -0.664 1.00 0.00 C ATOM 151 C LEU A 12 -5.336 -10.008 -1.168 1.00 0.00 C ATOM 152 O LEU A 12 -5.548 -9.832 -2.352 1.00 0.00 O ATOM 153 CB LEU A 12 -2.949 -9.283 -1.005 1.00 0.00 C ATOM 154 CG LEU A 12 -1.512 -9.794 -0.857 1.00 0.00 C ATOM 155 CD1 LEU A 12 -0.538 -8.649 -1.142 1.00 0.00 C ATOM 156 CD2 LEU A 12 -1.288 -10.317 0.570 1.00 0.00 C ATOM 0 H LEU A 12 -3.266 -11.574 -2.316 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.980 -10.550 0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.116 -8.935 -2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.109 -8.429 -0.346 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.342 -10.606 -1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.486 -9.008 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.693 -8.284 -2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.712 -7.839 -0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.265 -10.679 0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.458 -9.511 1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.982 -11.133 0.772 1.00 0.00 H new ATOM 168 N ARG A 13 -6.279 -9.848 -0.269 1.00 0.00 N ATOM 169 CA ARG A 13 -7.669 -9.440 -0.665 1.00 0.00 C ATOM 170 C ARG A 13 -7.879 -7.988 -0.221 1.00 0.00 C ATOM 171 O ARG A 13 -7.342 -7.557 0.781 1.00 0.00 O ATOM 172 CB ARG A 13 -8.703 -10.359 0.024 1.00 0.00 C ATOM 173 CG ARG A 13 -8.949 -11.638 -0.797 1.00 0.00 C ATOM 174 CD ARG A 13 -7.735 -12.570 -0.714 1.00 0.00 C ATOM 175 NE ARG A 13 -7.410 -12.846 0.714 1.00 0.00 N ATOM 176 CZ ARG A 13 -8.185 -13.623 1.421 1.00 0.00 C ATOM 177 NH1 ARG A 13 -9.242 -14.161 0.878 1.00 0.00 N ATOM 178 NH2 ARG A 13 -7.902 -13.860 2.673 1.00 0.00 N ATOM 0 H ARG A 13 -6.145 -9.984 0.733 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.798 -9.527 -1.744 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.349 -10.626 1.020 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.642 -9.821 0.153 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.835 -12.152 -0.425 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.145 -11.378 -1.837 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.945 -13.504 -1.236 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.879 -12.113 -1.210 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.582 -12.428 1.139 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.464 -13.975 -0.100 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.847 -14.768 1.431 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.076 -13.438 3.098 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.507 -14.467 3.227 1.00 0.00 H new ATOM 192 N LEU A 14 -8.649 -7.230 -0.966 1.00 0.00 N ATOM 193 CA LEU A 14 -8.902 -5.792 -0.611 1.00 0.00 C ATOM 194 C LEU A 14 -10.408 -5.519 -0.661 1.00 0.00 C ATOM 195 O LEU A 14 -11.041 -5.690 -1.686 1.00 0.00 O ATOM 196 CB LEU A 14 -8.176 -4.900 -1.631 1.00 0.00 C ATOM 197 CG LEU A 14 -8.482 -3.410 -1.391 1.00 0.00 C ATOM 198 CD1 LEU A 14 -8.073 -3.001 0.035 1.00 0.00 C ATOM 199 CD2 LEU A 14 -7.695 -2.577 -2.410 1.00 0.00 C ATOM 0 H LEU A 14 -9.119 -7.548 -1.814 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.533 -5.578 0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.101 -5.068 -1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.479 -5.177 -2.641 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.552 -3.236 -1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.296 -1.945 0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.628 -3.598 0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.005 -3.170 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.902 -1.519 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.628 -2.761 -2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.995 -2.859 -3.419 1.00 0.00 H new ATOM 211 N ASN A 15 -10.986 -5.091 0.442 1.00 0.00 N ATOM 212 CA ASN A 15 -12.461 -4.796 0.485 1.00 0.00 C ATOM 213 C ASN A 15 -12.678 -3.315 0.819 1.00 0.00 C ATOM 214 O ASN A 15 -12.654 -2.916 1.966 1.00 0.00 O ATOM 215 CB ASN A 15 -13.121 -5.665 1.563 1.00 0.00 C ATOM 216 CG ASN A 15 -13.220 -7.110 1.070 1.00 0.00 C ATOM 217 OD1 ASN A 15 -12.538 -7.496 0.141 1.00 0.00 O ATOM 218 ND2 ASN A 15 -14.046 -7.932 1.658 1.00 0.00 N ATOM 0 H ASN A 15 -10.495 -4.932 1.322 1.00 0.00 H new ATOM 0 HA ASN A 15 -12.905 -5.017 -0.485 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -12.539 -5.624 2.484 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -14.114 -5.281 1.796 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.119 -8.898 1.338 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -14.619 -7.609 2.438 1.00 0.00 H new ATOM 225 N VAL A 16 -12.901 -2.504 -0.180 1.00 0.00 N ATOM 226 CA VAL A 16 -13.130 -1.050 0.060 1.00 0.00 C ATOM 227 C VAL A 16 -14.504 -0.856 0.693 1.00 0.00 C ATOM 228 O VAL A 16 -14.742 0.092 1.415 1.00 0.00 O ATOM 229 CB VAL A 16 -13.085 -0.310 -1.276 1.00 0.00 C ATOM 230 CG1 VAL A 16 -13.297 1.187 -1.043 1.00 0.00 C ATOM 231 CG2 VAL A 16 -11.722 -0.534 -1.935 1.00 0.00 C ATOM 0 H VAL A 16 -12.935 -2.789 -1.159 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.360 -0.660 0.725 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.873 -0.689 -1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -13.264 1.712 -1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.267 1.348 -0.573 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.511 1.569 -0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.688 -0.007 -2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.936 -0.155 -1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -11.570 -1.600 -2.104 1.00 0.00 H new ATOM 241 N THR A 17 -15.409 -1.750 0.425 1.00 0.00 N ATOM 242 CA THR A 17 -16.778 -1.635 1.002 1.00 0.00 C ATOM 243 C THR A 17 -16.703 -1.732 2.531 1.00 0.00 C ATOM 244 O THR A 17 -17.190 -0.874 3.238 1.00 0.00 O ATOM 245 CB THR A 17 -17.667 -2.767 0.449 1.00 0.00 C ATOM 246 OG1 THR A 17 -18.638 -3.130 1.422 1.00 0.00 O ATOM 247 CG2 THR A 17 -16.810 -3.994 0.104 1.00 0.00 C ATOM 0 H THR A 17 -15.260 -2.563 -0.173 1.00 0.00 H new ATOM 0 HA THR A 17 -17.208 -0.672 0.726 1.00 0.00 H new ATOM 0 HB THR A 17 -18.165 -2.414 -0.454 1.00 0.00 H new ATOM 0 HG1 THR A 17 -19.203 -3.848 1.068 1.00 0.00 H new ATOM 0 HG21 THR A 17 -17.449 -4.786 -0.285 1.00 0.00 H new ATOM 0 HG22 THR A 17 -16.071 -3.721 -0.649 1.00 0.00 H new ATOM 0 HG23 THR A 17 -16.301 -4.346 1.001 1.00 0.00 H new ATOM 255 N ARG A 18 -16.095 -2.770 3.047 1.00 0.00 N ATOM 256 CA ARG A 18 -15.985 -2.924 4.532 1.00 0.00 C ATOM 257 C ARG A 18 -14.666 -2.311 4.994 1.00 0.00 C ATOM 258 O ARG A 18 -14.454 -2.074 6.166 1.00 0.00 O ATOM 259 CB ARG A 18 -16.009 -4.412 4.893 1.00 0.00 C ATOM 260 CG ARG A 18 -17.270 -5.057 4.311 1.00 0.00 C ATOM 261 CD ARG A 18 -17.446 -6.461 4.895 1.00 0.00 C ATOM 262 NE ARG A 18 -16.322 -7.331 4.449 1.00 0.00 N ATOM 263 CZ ARG A 18 -16.212 -8.546 4.914 1.00 0.00 C ATOM 264 NH1 ARG A 18 -17.086 -8.999 5.771 1.00 0.00 N ATOM 265 NH2 ARG A 18 -15.229 -9.308 4.519 1.00 0.00 N ATOM 0 H ARG A 18 -15.668 -3.520 2.503 1.00 0.00 H new ATOM 0 HA ARG A 18 -16.820 -2.421 5.020 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -15.120 -4.907 4.501 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.991 -4.535 5.976 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -18.142 -4.445 4.540 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -17.195 -5.111 3.225 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -17.472 -6.413 5.984 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -18.397 -6.884 4.572 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.638 -6.977 3.780 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.855 -8.404 6.078 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.000 -9.948 6.134 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.547 -8.954 3.848 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.142 -10.257 4.882 1.00 0.00 H new ATOM 279 N ARG A 19 -13.781 -2.058 4.069 1.00 0.00 N ATOM 280 CA ARG A 19 -12.461 -1.459 4.416 1.00 0.00 C ATOM 281 C ARG A 19 -11.628 -2.474 5.213 1.00 0.00 C ATOM 282 O ARG A 19 -11.259 -2.237 6.346 1.00 0.00 O ATOM 283 CB ARG A 19 -12.675 -0.168 5.242 1.00 0.00 C ATOM 284 CG ARG A 19 -11.465 0.787 5.088 1.00 0.00 C ATOM 285 CD ARG A 19 -11.617 1.655 3.830 1.00 0.00 C ATOM 286 NE ARG A 19 -10.506 2.648 3.779 1.00 0.00 N ATOM 287 CZ ARG A 19 -10.501 3.667 4.597 1.00 0.00 C ATOM 288 NH1 ARG A 19 -11.469 3.818 5.458 1.00 0.00 N ATOM 289 NH2 ARG A 19 -9.526 4.533 4.552 1.00 0.00 N ATOM 0 H ARG A 19 -13.918 -2.243 3.075 1.00 0.00 H new ATOM 0 HA ARG A 19 -11.924 -1.204 3.502 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.585 0.334 4.913 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.813 -0.421 6.293 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.384 1.424 5.968 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.543 0.208 5.028 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.601 1.029 2.938 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -12.579 2.168 3.842 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.749 2.532 3.105 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.231 3.140 5.493 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.464 4.614 6.096 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.769 4.414 3.879 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.521 5.329 5.190 1.00 0.00 H new ATOM 303 N LEU A 20 -11.326 -3.605 4.618 1.00 0.00 N ATOM 304 CA LEU A 20 -10.515 -4.654 5.310 1.00 0.00 C ATOM 305 C LEU A 20 -9.512 -5.246 4.314 1.00 0.00 C ATOM 306 O LEU A 20 -9.709 -5.192 3.117 1.00 0.00 O ATOM 307 CB LEU A 20 -11.430 -5.780 5.815 1.00 0.00 C ATOM 308 CG LEU A 20 -12.452 -5.246 6.834 1.00 0.00 C ATOM 309 CD1 LEU A 20 -13.496 -6.335 7.110 1.00 0.00 C ATOM 310 CD2 LEU A 20 -11.752 -4.863 8.154 1.00 0.00 C ATOM 0 H LEU A 20 -11.612 -3.847 3.669 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.994 -4.204 6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.953 -6.233 4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.828 -6.564 6.275 1.00 0.00 H new ATOM 0 HG LEU A 20 -12.932 -4.358 6.424 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.225 -5.966 7.831 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -14.004 -6.596 6.182 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.002 -7.219 7.513 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.491 -4.488 8.862 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -11.261 -5.741 8.573 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.009 -4.089 7.961 1.00 0.00 H new ATOM 322 N VAL A 21 -8.432 -5.812 4.802 1.00 0.00 N ATOM 323 CA VAL A 21 -7.406 -6.410 3.892 1.00 0.00 C ATOM 324 C VAL A 21 -6.826 -7.672 4.539 1.00 0.00 C ATOM 325 O VAL A 21 -6.366 -7.642 5.663 1.00 0.00 O ATOM 326 CB VAL A 21 -6.274 -5.399 3.683 1.00 0.00 C ATOM 327 CG1 VAL A 21 -5.356 -5.875 2.551 1.00 0.00 C ATOM 328 CG2 VAL A 21 -6.864 -4.030 3.328 1.00 0.00 C ATOM 0 H VAL A 21 -8.218 -5.885 5.797 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.867 -6.662 2.937 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.695 -5.314 4.602 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.553 -5.153 2.406 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.930 -6.844 2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.932 -5.967 1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.056 -3.313 3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.449 -4.112 2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.507 -3.690 4.139 1.00 0.00 H new ATOM 338 N TRP A 22 -6.824 -8.779 3.831 1.00 0.00 N ATOM 339 CA TRP A 22 -6.252 -10.045 4.393 1.00 0.00 C ATOM 340 C TRP A 22 -4.865 -10.273 3.789 1.00 0.00 C ATOM 341 O TRP A 22 -4.561 -9.805 2.709 1.00 0.00 O ATOM 342 CB TRP A 22 -7.151 -11.229 4.036 1.00 0.00 C ATOM 343 CG TRP A 22 -8.484 -11.071 4.696 1.00 0.00 C ATOM 344 CD1 TRP A 22 -8.901 -11.770 5.777 1.00 0.00 C ATOM 345 CD2 TRP A 22 -9.580 -10.179 4.339 1.00 0.00 C ATOM 346 NE1 TRP A 22 -10.181 -11.364 6.106 1.00 0.00 N ATOM 347 CE2 TRP A 22 -10.644 -10.386 5.250 1.00 0.00 C ATOM 348 CE3 TRP A 22 -9.753 -9.220 3.325 1.00 0.00 C ATOM 349 CZ2 TRP A 22 -11.837 -9.669 5.156 1.00 0.00 C ATOM 350 CZ3 TRP A 22 -10.953 -8.496 3.228 1.00 0.00 C ATOM 351 CH2 TRP A 22 -11.992 -8.721 4.142 1.00 0.00 C ATOM 0 H TRP A 22 -7.196 -8.859 2.885 1.00 0.00 H new ATOM 0 HA TRP A 22 -6.184 -9.960 5.478 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -7.275 -11.290 2.955 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -6.685 -12.161 4.356 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -8.327 -12.522 6.298 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.718 -11.742 6.887 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.958 -9.039 2.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -12.635 -9.846 5.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -11.076 -7.762 2.445 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -12.912 -8.161 4.062 1.00 0.00 H new ATOM 362 N LEU A 23 -4.024 -10.991 4.482 1.00 0.00 N ATOM 363 CA LEU A 23 -2.645 -11.267 3.973 1.00 0.00 C ATOM 364 C LEU A 23 -2.249 -12.677 4.400 1.00 0.00 C ATOM 365 O LEU A 23 -2.137 -12.968 5.570 1.00 0.00 O ATOM 366 CB LEU A 23 -1.675 -10.238 4.583 1.00 0.00 C ATOM 367 CG LEU A 23 -0.182 -10.625 4.309 1.00 0.00 C ATOM 368 CD1 LEU A 23 0.595 -9.406 3.775 1.00 0.00 C ATOM 369 CD2 LEU A 23 0.497 -11.104 5.606 1.00 0.00 C ATOM 0 H LEU A 23 -4.234 -11.404 5.391 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.610 -11.190 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.879 -9.252 4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.843 -10.170 5.658 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.173 -11.426 3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.631 -9.688 3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.140 -9.063 2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.564 -8.604 4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.534 -11.369 5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.468 -10.306 6.348 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.030 -11.977 5.992 1.00 0.00 H new ATOM 381 N GLY A 24 -2.060 -13.569 3.468 1.00 0.00 N ATOM 382 CA GLY A 24 -1.699 -14.958 3.860 1.00 0.00 C ATOM 383 C GLY A 24 -2.866 -15.537 4.653 1.00 0.00 C ATOM 384 O GLY A 24 -2.694 -16.171 5.673 1.00 0.00 O ATOM 0 H GLY A 24 -2.139 -13.399 2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.499 -15.564 2.977 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.790 -14.961 4.461 1.00 0.00 H new ATOM 388 N GLU A 25 -4.056 -15.302 4.175 1.00 0.00 N ATOM 389 CA GLU A 25 -5.277 -15.807 4.863 1.00 0.00 C ATOM 390 C GLU A 25 -5.377 -15.209 6.272 1.00 0.00 C ATOM 391 O GLU A 25 -6.310 -15.494 6.997 1.00 0.00 O ATOM 392 CB GLU A 25 -5.232 -17.339 4.952 1.00 0.00 C ATOM 393 CG GLU A 25 -4.800 -17.920 3.604 1.00 0.00 C ATOM 394 CD GLU A 25 -5.004 -19.437 3.612 1.00 0.00 C ATOM 395 OE1 GLU A 25 -5.064 -20.001 4.692 1.00 0.00 O ATOM 396 OE2 GLU A 25 -5.099 -20.008 2.538 1.00 0.00 O ATOM 0 H GLU A 25 -4.237 -14.772 3.322 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.153 -15.506 4.288 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.536 -17.648 5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.213 -17.726 5.229 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.380 -17.469 2.799 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.753 -17.684 3.413 1.00 0.00 H new ATOM 403 N THR A 26 -4.435 -14.371 6.666 1.00 0.00 N ATOM 404 CA THR A 26 -4.496 -13.746 8.037 1.00 0.00 C ATOM 405 C THR A 26 -4.895 -12.276 7.909 1.00 0.00 C ATOM 406 O THR A 26 -4.463 -11.580 7.012 1.00 0.00 O ATOM 407 CB THR A 26 -3.130 -13.836 8.724 1.00 0.00 C ATOM 408 OG1 THR A 26 -2.147 -13.203 7.920 1.00 0.00 O ATOM 409 CG2 THR A 26 -2.753 -15.303 8.938 1.00 0.00 C ATOM 0 H THR A 26 -3.632 -14.095 6.101 1.00 0.00 H new ATOM 0 HA THR A 26 -5.233 -14.282 8.635 1.00 0.00 H new ATOM 0 HB THR A 26 -3.182 -13.335 9.690 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.555 -12.902 7.081 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.781 -15.361 9.427 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.504 -15.784 9.565 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.706 -15.811 7.975 1.00 0.00 H new ATOM 417 N ALA A 27 -5.728 -11.802 8.794 1.00 0.00 N ATOM 418 CA ALA A 27 -6.174 -10.380 8.723 1.00 0.00 C ATOM 419 C ALA A 27 -4.979 -9.437 8.884 1.00 0.00 C ATOM 420 O ALA A 27 -4.360 -9.373 9.927 1.00 0.00 O ATOM 421 CB ALA A 27 -7.182 -10.112 9.843 1.00 0.00 C ATOM 0 H ALA A 27 -6.121 -12.340 9.567 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.636 -10.202 7.752 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.511 -9.074 9.796 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.042 -10.771 9.724 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.712 -10.300 10.808 1.00 0.00 H new ATOM 427 N LEU A 28 -4.658 -8.693 7.858 1.00 0.00 N ATOM 428 CA LEU A 28 -3.514 -7.739 7.951 1.00 0.00 C ATOM 429 C LEU A 28 -3.950 -6.532 8.782 1.00 0.00 C ATOM 430 O LEU A 28 -4.975 -5.933 8.525 1.00 0.00 O ATOM 431 CB LEU A 28 -3.123 -7.283 6.540 1.00 0.00 C ATOM 432 CG LEU A 28 -1.816 -6.466 6.568 1.00 0.00 C ATOM 433 CD1 LEU A 28 -0.623 -7.343 7.018 1.00 0.00 C ATOM 434 CD2 LEU A 28 -1.548 -5.918 5.157 1.00 0.00 C ATOM 0 H LEU A 28 -5.139 -8.705 6.959 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.657 -8.220 8.423 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.999 -8.152 5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.924 -6.680 6.113 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.924 -5.648 7.281 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.286 -6.742 7.029 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.814 -7.731 8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.500 -8.174 6.324 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.626 -5.337 5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.451 -6.748 4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.377 -5.280 4.851 1.00 0.00 H new ATOM 446 N ASP A 29 -3.183 -6.167 9.781 1.00 0.00 N ATOM 447 CA ASP A 29 -3.554 -4.996 10.638 1.00 0.00 C ATOM 448 C ASP A 29 -2.805 -3.752 10.161 1.00 0.00 C ATOM 449 O ASP A 29 -1.622 -3.603 10.398 1.00 0.00 O ATOM 450 CB ASP A 29 -3.168 -5.289 12.089 1.00 0.00 C ATOM 451 CG ASP A 29 -1.718 -5.774 12.145 1.00 0.00 C ATOM 452 OD1 ASP A 29 -1.472 -6.894 11.731 1.00 0.00 O ATOM 453 OD2 ASP A 29 -0.879 -5.015 12.601 1.00 0.00 O ATOM 0 H ASP A 29 -2.313 -6.631 10.041 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.628 -4.823 10.568 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.286 -4.391 12.696 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.832 -6.046 12.507 1.00 0.00 H new ATOM 458 N LEU A 30 -3.491 -2.858 9.487 1.00 0.00 N ATOM 459 CA LEU A 30 -2.842 -1.604 8.978 1.00 0.00 C ATOM 460 C LEU A 30 -3.704 -0.393 9.355 1.00 0.00 C ATOM 461 O LEU A 30 -4.917 -0.451 9.344 1.00 0.00 O ATOM 462 CB LEU A 30 -2.663 -1.705 7.450 1.00 0.00 C ATOM 463 CG LEU A 30 -4.007 -1.576 6.704 1.00 0.00 C ATOM 464 CD1 LEU A 30 -3.745 -1.725 5.201 1.00 0.00 C ATOM 465 CD2 LEU A 30 -4.990 -2.671 7.168 1.00 0.00 C ATOM 0 H LEU A 30 -4.483 -2.944 9.265 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.859 -1.479 9.432 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.983 -0.923 7.112 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.200 -2.660 7.201 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.450 -0.603 6.918 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.685 -1.636 4.657 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.060 -0.943 4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.303 -2.701 5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.933 -2.565 6.631 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.564 -3.653 6.962 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.169 -2.570 8.239 1.00 0.00 H new ATOM 477 N THR A 31 -3.083 0.699 9.712 1.00 0.00 N ATOM 478 CA THR A 31 -3.864 1.906 10.115 1.00 0.00 C ATOM 479 C THR A 31 -4.719 2.399 8.931 1.00 0.00 C ATOM 480 O THR A 31 -4.354 2.205 7.791 1.00 0.00 O ATOM 481 CB THR A 31 -2.890 3.013 10.531 1.00 0.00 C ATOM 482 OG1 THR A 31 -1.959 3.239 9.483 1.00 0.00 O ATOM 483 CG2 THR A 31 -2.144 2.586 11.795 1.00 0.00 C ATOM 0 H THR A 31 -2.069 0.808 9.742 1.00 0.00 H new ATOM 0 HA THR A 31 -4.520 1.652 10.947 1.00 0.00 H new ATOM 0 HB THR A 31 -3.443 3.931 10.730 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.135 2.740 9.664 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.451 3.373 12.092 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.860 2.411 12.598 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.589 1.669 11.598 1.00 0.00 H new ATOM 491 N PRO A 32 -5.843 3.048 9.181 1.00 0.00 N ATOM 492 CA PRO A 32 -6.712 3.570 8.082 1.00 0.00 C ATOM 493 C PRO A 32 -5.896 4.279 6.990 1.00 0.00 C ATOM 494 O PRO A 32 -6.104 4.074 5.811 1.00 0.00 O ATOM 495 CB PRO A 32 -7.638 4.566 8.799 1.00 0.00 C ATOM 496 CG PRO A 32 -7.764 4.031 10.191 1.00 0.00 C ATOM 497 CD PRO A 32 -6.421 3.350 10.512 1.00 0.00 C ATOM 0 HA PRO A 32 -7.247 2.772 7.567 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.216 5.571 8.797 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.610 4.627 8.309 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.973 4.833 10.899 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.588 3.321 10.262 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.770 4.005 11.090 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.564 2.443 11.100 1.00 0.00 H new ATOM 505 N LYS A 33 -4.971 5.114 7.380 1.00 0.00 N ATOM 506 CA LYS A 33 -4.142 5.839 6.375 1.00 0.00 C ATOM 507 C LYS A 33 -3.510 4.830 5.417 1.00 0.00 C ATOM 508 O LYS A 33 -3.560 4.984 4.212 1.00 0.00 O ATOM 509 CB LYS A 33 -3.037 6.615 7.094 1.00 0.00 C ATOM 510 CG LYS A 33 -3.660 7.727 7.941 1.00 0.00 C ATOM 511 CD LYS A 33 -2.573 8.395 8.785 1.00 0.00 C ATOM 512 CE LYS A 33 -3.218 9.369 9.774 1.00 0.00 C ATOM 513 NZ LYS A 33 -2.176 9.906 10.694 1.00 0.00 N ATOM 0 H LYS A 33 -4.753 5.326 8.354 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.770 6.532 5.815 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.459 5.942 7.727 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.346 7.041 6.367 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.140 8.464 7.297 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.436 7.316 8.587 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.001 7.640 9.324 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.873 8.926 8.140 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.699 10.186 9.235 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.996 8.862 10.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.614 10.568 11.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.737 9.122 11.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.449 10.404 10.142 1.00 0.00 H new ATOM 527 N GLU A 34 -2.912 3.799 5.944 1.00 0.00 N ATOM 528 CA GLU A 34 -2.273 2.777 5.071 1.00 0.00 C ATOM 529 C GLU A 34 -3.309 2.221 4.091 1.00 0.00 C ATOM 530 O GLU A 34 -3.001 1.910 2.959 1.00 0.00 O ATOM 531 CB GLU A 34 -1.733 1.642 5.942 1.00 0.00 C ATOM 532 CG GLU A 34 -0.551 2.147 6.776 1.00 0.00 C ATOM 533 CD GLU A 34 -0.225 1.133 7.876 1.00 0.00 C ATOM 534 OE1 GLU A 34 0.149 0.022 7.538 1.00 0.00 O ATOM 535 OE2 GLU A 34 -0.354 1.485 9.036 1.00 0.00 O ATOM 0 H GLU A 34 -2.838 3.620 6.945 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.456 3.231 4.511 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.520 1.268 6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.418 0.808 5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.319 2.297 6.137 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.792 3.113 7.219 1.00 0.00 H new ATOM 542 N TYR A 35 -4.536 2.092 4.518 1.00 0.00 N ATOM 543 CA TYR A 35 -5.586 1.554 3.606 1.00 0.00 C ATOM 544 C TYR A 35 -5.710 2.470 2.385 1.00 0.00 C ATOM 545 O TYR A 35 -5.991 2.026 1.289 1.00 0.00 O ATOM 546 CB TYR A 35 -6.929 1.485 4.352 1.00 0.00 C ATOM 547 CG TYR A 35 -7.897 0.590 3.597 1.00 0.00 C ATOM 548 CD1 TYR A 35 -8.492 1.040 2.408 1.00 0.00 C ATOM 549 CD2 TYR A 35 -8.200 -0.692 4.084 1.00 0.00 C ATOM 550 CE1 TYR A 35 -9.381 0.211 1.712 1.00 0.00 C ATOM 551 CE2 TYR A 35 -9.088 -1.516 3.384 1.00 0.00 C ATOM 552 CZ TYR A 35 -9.675 -1.065 2.200 1.00 0.00 C ATOM 553 OH TYR A 35 -10.547 -1.883 1.515 1.00 0.00 O ATOM 0 H TYR A 35 -4.856 2.335 5.456 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.312 0.551 3.278 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.775 1.100 5.360 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.350 2.485 4.454 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.264 2.026 2.030 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.747 -1.042 5.000 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.839 0.558 0.798 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -9.320 -2.502 3.760 1.00 0.00 H new ATOM 0 HH TYR A 35 -11.095 -2.385 2.154 1.00 0.00 H new ATOM 563 N ALA A 36 -5.498 3.747 2.563 1.00 0.00 N ATOM 564 CA ALA A 36 -5.598 4.689 1.409 1.00 0.00 C ATOM 565 C ALA A 36 -4.360 4.519 0.534 1.00 0.00 C ATOM 566 O ALA A 36 -4.450 4.280 -0.654 1.00 0.00 O ATOM 567 CB ALA A 36 -5.662 6.129 1.921 1.00 0.00 C ATOM 0 H ALA A 36 -5.260 4.178 3.456 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.499 4.475 0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.735 6.813 1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.536 6.249 2.561 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.761 6.353 2.492 1.00 0.00 H new ATOM 573 N LEU A 37 -3.201 4.622 1.122 1.00 0.00 N ATOM 574 CA LEU A 37 -1.946 4.445 0.343 1.00 0.00 C ATOM 575 C LEU A 37 -2.001 3.079 -0.338 1.00 0.00 C ATOM 576 O LEU A 37 -1.688 2.929 -1.503 1.00 0.00 O ATOM 577 CB LEU A 37 -0.753 4.513 1.318 1.00 0.00 C ATOM 578 CG LEU A 37 0.563 4.007 0.644 1.00 0.00 C ATOM 579 CD1 LEU A 37 1.755 4.871 1.087 1.00 0.00 C ATOM 580 CD2 LEU A 37 0.855 2.549 1.050 1.00 0.00 C ATOM 0 H LEU A 37 -3.069 4.822 2.113 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.833 5.223 -0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.618 5.539 1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.967 3.910 2.200 1.00 0.00 H new ATOM 0 HG LEU A 37 0.428 4.073 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.665 4.507 0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.582 5.907 0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.865 4.812 2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.775 2.215 0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.967 2.488 2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.029 1.911 0.734 1.00 0.00 H new ATOM 592 N LEU A 38 -2.403 2.087 0.400 1.00 0.00 N ATOM 593 CA LEU A 38 -2.498 0.712 -0.154 1.00 0.00 C ATOM 594 C LEU A 38 -3.561 0.671 -1.259 1.00 0.00 C ATOM 595 O LEU A 38 -3.354 0.104 -2.313 1.00 0.00 O ATOM 596 CB LEU A 38 -2.902 -0.238 0.982 1.00 0.00 C ATOM 597 CG LEU A 38 -2.787 -1.713 0.532 1.00 0.00 C ATOM 598 CD1 LEU A 38 -1.335 -2.203 0.646 1.00 0.00 C ATOM 599 CD2 LEU A 38 -3.673 -2.590 1.424 1.00 0.00 C ATOM 0 H LEU A 38 -2.674 2.172 1.380 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.539 0.411 -0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.264 -0.067 1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.925 -0.027 1.292 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.108 -1.782 -0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.276 -3.243 0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.693 -1.590 0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.005 -2.124 1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.592 -3.630 1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.348 -2.500 2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.710 -2.264 1.340 1.00 0.00 H new ATOM 611 N SER A 39 -4.701 1.255 -1.015 1.00 0.00 N ATOM 612 CA SER A 39 -5.791 1.240 -2.035 1.00 0.00 C ATOM 613 C SER A 39 -5.262 1.699 -3.397 1.00 0.00 C ATOM 614 O SER A 39 -5.629 1.164 -4.424 1.00 0.00 O ATOM 615 CB SER A 39 -6.912 2.178 -1.587 1.00 0.00 C ATOM 616 OG SER A 39 -7.855 2.320 -2.642 1.00 0.00 O ATOM 0 H SER A 39 -4.927 1.745 -0.149 1.00 0.00 H new ATOM 0 HA SER A 39 -6.168 0.222 -2.131 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.401 1.780 -0.698 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.502 3.151 -1.317 1.00 0.00 H new ATOM 0 HG SER A 39 -8.576 2.920 -2.358 1.00 0.00 H new ATOM 622 N ARG A 40 -4.406 2.687 -3.423 1.00 0.00 N ATOM 623 CA ARG A 40 -3.866 3.172 -4.730 1.00 0.00 C ATOM 624 C ARG A 40 -2.740 2.251 -5.201 1.00 0.00 C ATOM 625 O ARG A 40 -2.639 1.922 -6.367 1.00 0.00 O ATOM 626 CB ARG A 40 -3.323 4.601 -4.559 1.00 0.00 C ATOM 627 CG ARG A 40 -3.063 5.251 -5.945 1.00 0.00 C ATOM 628 CD ARG A 40 -4.303 6.043 -6.416 1.00 0.00 C ATOM 629 NE ARG A 40 -5.544 5.384 -5.913 1.00 0.00 N ATOM 630 CZ ARG A 40 -6.699 5.657 -6.460 1.00 0.00 C ATOM 631 NH1 ARG A 40 -6.768 6.502 -7.452 1.00 0.00 N ATOM 632 NH2 ARG A 40 -7.783 5.084 -6.015 1.00 0.00 N ATOM 0 H ARG A 40 -4.058 3.178 -2.600 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.664 3.170 -5.472 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.036 5.203 -3.996 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.399 4.579 -3.981 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.201 5.916 -5.885 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.819 4.479 -6.675 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.251 7.069 -6.051 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.322 6.093 -7.505 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.491 4.719 -5.141 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.920 6.950 -7.801 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.670 6.715 -7.879 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.729 4.423 -5.240 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.685 5.297 -6.442 1.00 0.00 H new ATOM 646 N LEU A 41 -1.888 1.839 -4.307 1.00 0.00 N ATOM 647 CA LEU A 41 -0.768 0.949 -4.713 1.00 0.00 C ATOM 648 C LEU A 41 -1.337 -0.347 -5.298 1.00 0.00 C ATOM 649 O LEU A 41 -0.857 -0.852 -6.293 1.00 0.00 O ATOM 650 CB LEU A 41 0.105 0.645 -3.488 1.00 0.00 C ATOM 651 CG LEU A 41 1.179 -0.406 -3.825 1.00 0.00 C ATOM 652 CD1 LEU A 41 1.979 0.018 -5.069 1.00 0.00 C ATOM 653 CD2 LEU A 41 2.130 -0.551 -2.627 1.00 0.00 C ATOM 0 H LEU A 41 -1.918 2.079 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.157 1.439 -5.471 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.583 1.561 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.520 0.283 -2.672 1.00 0.00 H new ATOM 0 HG LEU A 41 0.692 -1.358 -4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.733 -0.737 -5.291 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.304 0.118 -5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.468 0.974 -4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.894 -1.294 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.606 0.408 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.566 -0.870 -1.751 1.00 0.00 H new ATOM 665 N MET A 42 -2.361 -0.889 -4.694 1.00 0.00 N ATOM 666 CA MET A 42 -2.953 -2.148 -5.228 1.00 0.00 C ATOM 667 C MET A 42 -3.713 -1.841 -6.521 1.00 0.00 C ATOM 668 O MET A 42 -3.703 -2.616 -7.456 1.00 0.00 O ATOM 669 CB MET A 42 -3.913 -2.745 -4.192 1.00 0.00 C ATOM 670 CG MET A 42 -3.106 -3.343 -3.036 1.00 0.00 C ATOM 671 SD MET A 42 -4.235 -3.942 -1.751 1.00 0.00 S ATOM 672 CE MET A 42 -4.418 -5.639 -2.361 1.00 0.00 C ATOM 0 H MET A 42 -2.811 -0.516 -3.858 1.00 0.00 H new ATOM 0 HA MET A 42 -2.159 -2.866 -5.435 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.588 -1.975 -3.819 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.532 -3.514 -4.654 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.485 -4.162 -3.399 1.00 0.00 H new ATOM 0 HG3 MET A 42 -2.434 -2.592 -2.622 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.058 -6.203 -1.682 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.868 -5.622 -3.354 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.438 -6.114 -2.414 1.00 0.00 H new ATOM 682 N MET A 43 -4.369 -0.713 -6.582 1.00 0.00 N ATOM 683 CA MET A 43 -5.125 -0.355 -7.818 1.00 0.00 C ATOM 684 C MET A 43 -4.193 -0.489 -9.020 1.00 0.00 C ATOM 685 O MET A 43 -4.620 -0.746 -10.129 1.00 0.00 O ATOM 686 CB MET A 43 -5.625 1.087 -7.712 1.00 0.00 C ATOM 687 CG MET A 43 -6.424 1.446 -8.966 1.00 0.00 C ATOM 688 SD MET A 43 -7.223 3.053 -8.733 1.00 0.00 S ATOM 689 CE MET A 43 -8.548 2.827 -9.945 1.00 0.00 C ATOM 0 H MET A 43 -4.414 -0.025 -5.831 1.00 0.00 H new ATOM 0 HA MET A 43 -5.980 -1.020 -7.937 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.249 1.202 -6.826 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.781 1.768 -7.599 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.765 1.478 -9.833 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.174 0.680 -9.164 1.00 0.00 H new ATOM 0 HE1 MET A 43 -9.176 3.718 -9.968 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.115 2.663 -10.932 1.00 0.00 H new ATOM 0 HE3 MET A 43 -9.153 1.964 -9.666 1.00 0.00 H new ATOM 699 N LYS A 44 -2.914 -0.322 -8.791 1.00 0.00 N ATOM 700 CA LYS A 44 -1.897 -0.440 -9.887 1.00 0.00 C ATOM 701 C LYS A 44 -0.925 -1.576 -9.536 1.00 0.00 C ATOM 702 O LYS A 44 0.278 -1.435 -9.638 1.00 0.00 O ATOM 703 CB LYS A 44 -1.133 0.891 -9.988 1.00 0.00 C ATOM 704 CG LYS A 44 -1.972 1.944 -10.751 1.00 0.00 C ATOM 705 CD LYS A 44 -1.771 1.802 -12.268 1.00 0.00 C ATOM 706 CE LYS A 44 -2.528 2.920 -12.988 1.00 0.00 C ATOM 707 NZ LYS A 44 -3.995 2.710 -12.829 1.00 0.00 N ATOM 0 H LYS A 44 -2.523 -0.105 -7.874 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.379 -0.658 -10.840 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.899 1.259 -8.989 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.184 0.734 -10.500 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.027 1.823 -10.506 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.684 2.946 -10.433 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.710 1.851 -12.511 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.130 0.829 -12.604 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.242 3.889 -12.579 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.264 2.930 -14.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.507 3.303 -13.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.223 1.710 -13.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.280 2.970 -11.863 1.00 0.00 H new ATOM 721 N ALA A 45 -1.444 -2.698 -9.114 1.00 0.00 N ATOM 722 CA ALA A 45 -0.563 -3.839 -8.742 1.00 0.00 C ATOM 723 C ALA A 45 0.066 -4.461 -9.992 1.00 0.00 C ATOM 724 O ALA A 45 -0.561 -4.587 -11.024 1.00 0.00 O ATOM 725 CB ALA A 45 -1.391 -4.901 -8.016 1.00 0.00 C ATOM 0 H ALA A 45 -2.444 -2.872 -9.011 1.00 0.00 H new ATOM 0 HA ALA A 45 0.231 -3.472 -8.092 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.749 -5.738 -7.742 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.828 -4.469 -7.116 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.187 -5.253 -8.672 1.00 0.00 H new ATOM 731 N GLY A 46 1.309 -4.857 -9.894 1.00 0.00 N ATOM 732 CA GLY A 46 2.010 -5.487 -11.058 1.00 0.00 C ATOM 733 C GLY A 46 2.813 -4.428 -11.815 1.00 0.00 C ATOM 734 O GLY A 46 3.754 -4.742 -12.516 1.00 0.00 O ATOM 0 H GLY A 46 1.875 -4.771 -9.050 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.673 -6.279 -10.710 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.283 -5.950 -11.725 1.00 0.00 H new ATOM 738 N SER A 47 2.451 -3.174 -11.671 1.00 0.00 N ATOM 739 CA SER A 47 3.185 -2.066 -12.370 1.00 0.00 C ATOM 740 C SER A 47 3.863 -1.191 -11.306 1.00 0.00 C ATOM 741 O SER A 47 3.398 -1.118 -10.186 1.00 0.00 O ATOM 742 CB SER A 47 2.175 -1.222 -13.161 1.00 0.00 C ATOM 743 OG SER A 47 2.630 0.122 -13.237 1.00 0.00 O ATOM 0 H SER A 47 1.669 -2.867 -11.092 1.00 0.00 H new ATOM 0 HA SER A 47 3.933 -2.471 -13.052 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.051 -1.631 -14.164 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.198 -1.259 -12.678 1.00 0.00 H new ATOM 0 HG SER A 47 1.984 0.658 -13.744 1.00 0.00 H new ATOM 749 N PRO A 48 4.949 -0.527 -11.635 1.00 0.00 N ATOM 750 CA PRO A 48 5.660 0.343 -10.653 1.00 0.00 C ATOM 751 C PRO A 48 4.881 1.630 -10.372 1.00 0.00 C ATOM 752 O PRO A 48 4.628 2.419 -11.262 1.00 0.00 O ATOM 753 CB PRO A 48 6.998 0.642 -11.353 1.00 0.00 C ATOM 754 CG PRO A 48 6.675 0.576 -12.813 1.00 0.00 C ATOM 755 CD PRO A 48 5.617 -0.524 -12.952 1.00 0.00 C ATOM 0 HA PRO A 48 5.782 -0.131 -9.679 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.382 1.623 -11.075 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.761 -0.088 -11.081 1.00 0.00 H new ATOM 0 HG2 PRO A 48 6.296 1.532 -13.174 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.563 0.342 -13.401 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.916 -0.307 -13.758 1.00 0.00 H new ATOM 0 HD3 PRO A 48 6.069 -1.490 -13.175 1.00 0.00 H new ATOM 763 N VAL A 49 4.494 1.848 -9.138 1.00 0.00 N ATOM 764 CA VAL A 49 3.723 3.079 -8.787 1.00 0.00 C ATOM 765 C VAL A 49 4.665 4.147 -8.234 1.00 0.00 C ATOM 766 O VAL A 49 5.485 3.879 -7.381 1.00 0.00 O ATOM 767 CB VAL A 49 2.685 2.739 -7.719 1.00 0.00 C ATOM 768 CG1 VAL A 49 1.904 4.003 -7.339 1.00 0.00 C ATOM 769 CG2 VAL A 49 1.723 1.688 -8.272 1.00 0.00 C ATOM 0 H VAL A 49 4.681 1.221 -8.355 1.00 0.00 H new ATOM 0 HA VAL A 49 3.231 3.456 -9.684 1.00 0.00 H new ATOM 0 HB VAL A 49 3.185 2.348 -6.833 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.164 3.758 -6.577 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.592 4.753 -6.949 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.400 4.398 -8.221 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.979 1.441 -7.514 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.223 2.082 -9.156 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.280 0.790 -8.540 1.00 0.00 H new ATOM 779 N HIS A 50 4.540 5.362 -8.693 1.00 0.00 N ATOM 780 CA HIS A 50 5.418 6.441 -8.169 1.00 0.00 C ATOM 781 C HIS A 50 5.040 6.716 -6.713 1.00 0.00 C ATOM 782 O HIS A 50 3.899 6.995 -6.398 1.00 0.00 O ATOM 783 CB HIS A 50 5.229 7.711 -9.004 1.00 0.00 C ATOM 784 CG HIS A 50 6.282 8.728 -8.643 1.00 0.00 C ATOM 785 ND1 HIS A 50 6.309 9.991 -9.220 1.00 0.00 N ATOM 786 CD2 HIS A 50 7.349 8.692 -7.773 1.00 0.00 C ATOM 787 CE1 HIS A 50 7.357 10.655 -8.698 1.00 0.00 C ATOM 788 NE2 HIS A 50 8.021 9.909 -7.815 1.00 0.00 N ATOM 0 H HIS A 50 3.870 5.652 -9.405 1.00 0.00 H new ATOM 0 HA HIS A 50 6.462 6.133 -8.228 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.293 7.471 -10.065 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.236 8.126 -8.830 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.622 7.850 -7.154 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.627 11.667 -8.962 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.849 10.175 -7.282 1.00 0.00 H new ATOM 797 N ARG A 51 5.988 6.637 -5.824 1.00 0.00 N ATOM 798 CA ARG A 51 5.701 6.887 -4.384 1.00 0.00 C ATOM 799 C ARG A 51 4.988 8.229 -4.245 1.00 0.00 C ATOM 800 O ARG A 51 4.352 8.513 -3.250 1.00 0.00 O ATOM 801 CB ARG A 51 7.018 6.915 -3.601 1.00 0.00 C ATOM 802 CG ARG A 51 6.729 6.884 -2.099 1.00 0.00 C ATOM 803 CD ARG A 51 8.042 6.987 -1.322 1.00 0.00 C ATOM 804 NE ARG A 51 9.026 6.012 -1.873 1.00 0.00 N ATOM 805 CZ ARG A 51 10.282 6.086 -1.528 1.00 0.00 C ATOM 806 NH1 ARG A 51 10.678 7.016 -0.700 1.00 0.00 N ATOM 807 NH2 ARG A 51 11.144 5.232 -2.009 1.00 0.00 N ATOM 0 H ARG A 51 6.959 6.408 -6.035 1.00 0.00 H new ATOM 0 HA ARG A 51 5.066 6.095 -3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.635 6.061 -3.879 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.583 7.812 -3.853 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.069 7.708 -1.828 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.211 5.961 -1.837 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.440 7.999 -1.392 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.868 6.786 -0.265 1.00 0.00 H new ATOM 0 HE ARG A 51 8.717 5.287 -2.520 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.005 7.684 -0.324 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.660 7.074 -0.430 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.836 4.506 -2.655 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.126 5.291 -1.738 1.00 0.00 H new ATOM 821 N GLU A 52 5.089 9.055 -5.245 1.00 0.00 N ATOM 822 CA GLU A 52 4.420 10.377 -5.183 1.00 0.00 C ATOM 823 C GLU A 52 2.913 10.176 -5.036 1.00 0.00 C ATOM 824 O GLU A 52 2.308 10.648 -4.095 1.00 0.00 O ATOM 825 CB GLU A 52 4.711 11.148 -6.471 1.00 0.00 C ATOM 826 CG GLU A 52 4.192 12.576 -6.334 1.00 0.00 C ATOM 827 CD GLU A 52 4.596 13.389 -7.565 1.00 0.00 C ATOM 828 OE1 GLU A 52 4.706 12.802 -8.628 1.00 0.00 O ATOM 829 OE2 GLU A 52 4.789 14.586 -7.424 1.00 0.00 O ATOM 0 H GLU A 52 5.607 8.870 -6.104 1.00 0.00 H new ATOM 0 HA GLU A 52 4.795 10.940 -4.328 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.783 11.156 -6.669 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.234 10.656 -7.318 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.107 12.571 -6.229 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.597 13.036 -5.433 1.00 0.00 H new ATOM 836 N ILE A 53 2.300 9.471 -5.952 1.00 0.00 N ATOM 837 CA ILE A 53 0.828 9.243 -5.858 1.00 0.00 C ATOM 838 C ILE A 53 0.491 8.591 -4.516 1.00 0.00 C ATOM 839 O ILE A 53 -0.572 8.802 -3.966 1.00 0.00 O ATOM 840 CB ILE A 53 0.372 8.327 -7.003 1.00 0.00 C ATOM 841 CG1 ILE A 53 0.953 8.835 -8.329 1.00 0.00 C ATOM 842 CG2 ILE A 53 -1.160 8.331 -7.083 1.00 0.00 C ATOM 843 CD1 ILE A 53 0.440 7.970 -9.484 1.00 0.00 C ATOM 0 H ILE A 53 2.755 9.044 -6.759 1.00 0.00 H new ATOM 0 HA ILE A 53 0.312 10.200 -5.934 1.00 0.00 H new ATOM 0 HB ILE A 53 0.724 7.312 -6.817 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.668 9.875 -8.487 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.042 8.804 -8.295 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.484 7.681 -7.896 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.574 7.969 -6.142 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.512 9.346 -7.268 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.855 8.334 -10.424 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.747 6.936 -9.328 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.648 8.023 -9.523 1.00 0.00 H new ATOM 855 N LEU A 54 1.385 7.808 -3.977 1.00 0.00 N ATOM 856 CA LEU A 54 1.103 7.157 -2.666 1.00 0.00 C ATOM 857 C LEU A 54 1.073 8.229 -1.575 1.00 0.00 C ATOM 858 O LEU A 54 0.332 8.130 -0.617 1.00 0.00 O ATOM 859 CB LEU A 54 2.197 6.130 -2.345 1.00 0.00 C ATOM 860 CG LEU A 54 2.358 5.120 -3.495 1.00 0.00 C ATOM 861 CD1 LEU A 54 3.316 4.003 -3.051 1.00 0.00 C ATOM 862 CD2 LEU A 54 0.994 4.505 -3.868 1.00 0.00 C ATOM 0 H LEU A 54 2.294 7.591 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 54 0.141 6.647 -2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.143 6.643 -2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.947 5.602 -1.425 1.00 0.00 H new ATOM 0 HG LEU A 54 2.760 5.635 -4.367 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.435 3.283 -3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.286 4.433 -2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.907 3.500 -2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.126 3.793 -4.683 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.577 3.991 -3.002 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.313 5.295 -4.184 1.00 0.00 H new ATOM 874 N TYR A 55 1.859 9.260 -1.718 1.00 0.00 N ATOM 875 CA TYR A 55 1.857 10.342 -0.694 1.00 0.00 C ATOM 876 C TYR A 55 0.578 11.163 -0.860 1.00 0.00 C ATOM 877 O TYR A 55 -0.011 11.623 0.097 1.00 0.00 O ATOM 878 CB TYR A 55 3.085 11.240 -0.892 1.00 0.00 C ATOM 879 CG TYR A 55 3.261 12.145 0.312 1.00 0.00 C ATOM 880 CD1 TYR A 55 3.593 11.590 1.556 1.00 0.00 C ATOM 881 CD2 TYR A 55 3.098 13.534 0.191 1.00 0.00 C ATOM 882 CE1 TYR A 55 3.758 12.418 2.672 1.00 0.00 C ATOM 883 CE2 TYR A 55 3.265 14.360 1.310 1.00 0.00 C ATOM 884 CZ TYR A 55 3.595 13.801 2.550 1.00 0.00 C ATOM 885 OH TYR A 55 3.760 14.616 3.652 1.00 0.00 O ATOM 0 H TYR A 55 2.501 9.400 -2.498 1.00 0.00 H new ATOM 0 HA TYR A 55 1.895 9.913 0.307 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.976 10.627 -1.031 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.966 11.840 -1.795 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.722 10.522 1.653 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.844 13.966 -0.766 1.00 0.00 H new ATOM 0 HE1 TYR A 55 4.012 11.988 3.629 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.139 15.428 1.216 1.00 0.00 H new ATOM 0 HH TYR A 55 3.612 15.550 3.393 1.00 0.00 H new ATOM 895 N ASN A 56 0.141 11.334 -2.077 1.00 0.00 N ATOM 896 CA ASN A 56 -1.104 12.105 -2.332 1.00 0.00 C ATOM 897 C ASN A 56 -2.276 11.405 -1.638 1.00 0.00 C ATOM 898 O ASN A 56 -3.298 12.000 -1.362 1.00 0.00 O ATOM 899 CB ASN A 56 -1.365 12.172 -3.839 1.00 0.00 C ATOM 900 CG ASN A 56 -0.257 12.980 -4.520 1.00 0.00 C ATOM 901 OD1 ASN A 56 -0.386 14.173 -4.705 1.00 0.00 O ATOM 902 ND2 ASN A 56 0.836 12.374 -4.904 1.00 0.00 N ATOM 0 H ASN A 56 0.599 10.968 -2.912 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.997 13.117 -1.941 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.403 11.166 -4.256 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.334 12.633 -4.030 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.580 12.903 -5.359 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.945 11.372 -4.749 1.00 0.00 H new ATOM 909 N ASP A 57 -2.133 10.138 -1.365 1.00 0.00 N ATOM 910 CA ASP A 57 -3.228 9.387 -0.697 1.00 0.00 C ATOM 911 C ASP A 57 -3.343 9.830 0.763 1.00 0.00 C ATOM 912 O ASP A 57 -4.400 10.207 1.229 1.00 0.00 O ATOM 913 CB ASP A 57 -2.924 7.889 -0.751 1.00 0.00 C ATOM 914 CG ASP A 57 -2.838 7.438 -2.210 1.00 0.00 C ATOM 915 OD1 ASP A 57 -3.353 8.146 -3.060 1.00 0.00 O ATOM 916 OD2 ASP A 57 -2.260 6.391 -2.452 1.00 0.00 O ATOM 0 H ASP A 57 -1.300 9.589 -1.578 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.168 9.589 -1.210 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.985 7.679 -0.238 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.703 7.330 -0.232 1.00 0.00 H new ATOM 921 N ILE A 58 -2.263 9.772 1.491 1.00 0.00 N ATOM 922 CA ILE A 58 -2.299 10.169 2.931 1.00 0.00 C ATOM 923 C ILE A 58 -2.293 11.697 3.060 1.00 0.00 C ATOM 924 O ILE A 58 -2.769 12.242 4.036 1.00 0.00 O ATOM 925 CB ILE A 58 -1.074 9.595 3.653 1.00 0.00 C ATOM 926 CG1 ILE A 58 -0.953 8.096 3.348 1.00 0.00 C ATOM 927 CG2 ILE A 58 -1.232 9.797 5.164 1.00 0.00 C ATOM 928 CD1 ILE A 58 0.319 7.539 3.994 1.00 0.00 C ATOM 0 H ILE A 58 -1.351 9.466 1.151 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.210 9.776 3.382 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.176 10.108 3.308 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.827 7.566 3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.925 7.935 2.270 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.362 9.389 5.679 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.317 10.862 5.382 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.130 9.284 5.508 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.402 6.474 3.775 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.189 8.060 3.594 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.273 7.685 5.073 1.00 0.00 H new ATOM 940 N TYR A 59 -1.752 12.393 2.091 1.00 0.00 N ATOM 941 CA TYR A 59 -1.708 13.892 2.165 1.00 0.00 C ATOM 942 C TYR A 59 -1.925 14.481 0.771 1.00 0.00 C ATOM 943 O TYR A 59 -2.362 13.805 -0.136 1.00 0.00 O ATOM 944 CB TYR A 59 -0.339 14.333 2.690 1.00 0.00 C ATOM 945 CG TYR A 59 -0.209 13.952 4.149 1.00 0.00 C ATOM 946 CD1 TYR A 59 -0.828 14.732 5.131 1.00 0.00 C ATOM 947 CD2 TYR A 59 0.531 12.819 4.519 1.00 0.00 C ATOM 948 CE1 TYR A 59 -0.709 14.385 6.482 1.00 0.00 C ATOM 949 CE2 TYR A 59 0.650 12.472 5.869 1.00 0.00 C ATOM 950 CZ TYR A 59 0.030 13.254 6.852 1.00 0.00 C ATOM 951 OH TYR A 59 0.148 12.911 8.183 1.00 0.00 O ATOM 0 H TYR A 59 -1.338 11.990 1.250 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.492 14.244 2.835 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.454 13.862 2.109 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.223 15.411 2.573 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.399 15.604 4.847 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.009 12.215 3.762 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.187 14.989 7.239 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.220 11.600 6.154 1.00 0.00 H new ATOM 0 HH TYR A 59 0.692 12.100 8.265 1.00 0.00 H new ATOM 961 N SER A 60 -1.623 15.738 0.596 1.00 0.00 N ATOM 962 CA SER A 60 -1.810 16.380 -0.737 1.00 0.00 C ATOM 963 C SER A 60 -1.484 17.870 -0.625 1.00 0.00 C ATOM 964 O SER A 60 -1.018 18.487 -1.562 1.00 0.00 O ATOM 965 CB SER A 60 -3.266 16.211 -1.190 1.00 0.00 C ATOM 966 OG SER A 60 -3.607 17.264 -2.082 1.00 0.00 O ATOM 0 H SER A 60 -1.253 16.351 1.322 1.00 0.00 H new ATOM 0 HA SER A 60 -1.149 15.910 -1.465 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.396 15.247 -1.681 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.931 16.221 -0.326 1.00 0.00 H new ATOM 0 HG SER A 60 -4.536 17.157 -2.374 1.00 0.00 H new ATOM 972 N TRP A 61 -1.727 18.454 0.518 1.00 0.00 N ATOM 973 CA TRP A 61 -1.434 19.906 0.698 1.00 0.00 C ATOM 974 C TRP A 61 0.065 20.104 0.934 1.00 0.00 C ATOM 975 O TRP A 61 0.574 21.202 0.837 1.00 0.00 O ATOM 976 CB TRP A 61 -2.210 20.436 1.905 1.00 0.00 C ATOM 977 CG TRP A 61 -3.675 20.397 1.613 1.00 0.00 C ATOM 978 CD1 TRP A 61 -4.434 19.277 1.592 1.00 0.00 C ATOM 979 CD2 TRP A 61 -4.572 21.503 1.300 1.00 0.00 C ATOM 980 NE1 TRP A 61 -5.738 19.625 1.288 1.00 0.00 N ATOM 981 CE2 TRP A 61 -5.873 20.986 1.098 1.00 0.00 C ATOM 982 CE3 TRP A 61 -4.382 22.891 1.175 1.00 0.00 C ATOM 983 CZ2 TRP A 61 -6.948 21.816 0.782 1.00 0.00 C ATOM 984 CZ3 TRP A 61 -5.463 23.729 0.856 1.00 0.00 C ATOM 985 CH2 TRP A 61 -6.744 23.192 0.660 1.00 0.00 C ATOM 0 H TRP A 61 -2.117 17.987 1.337 1.00 0.00 H new ATOM 0 HA TRP A 61 -1.735 20.448 -0.199 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.988 19.834 2.786 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.900 21.457 2.130 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -4.080 18.275 1.782 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -6.506 18.958 1.213 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.400 23.315 1.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -7.932 21.397 0.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.307 24.793 0.761 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -7.571 23.842 0.415 1.00 0.00 H new ATOM 996 N ASP A 62 0.772 19.047 1.238 1.00 0.00 N ATOM 997 CA ASP A 62 2.237 19.158 1.480 1.00 0.00 C ATOM 998 C ASP A 62 2.522 20.274 2.490 1.00 0.00 C ATOM 999 O ASP A 62 2.512 21.444 2.165 1.00 0.00 O ATOM 1000 CB ASP A 62 2.941 19.465 0.165 1.00 0.00 C ATOM 1001 CG ASP A 62 2.855 18.248 -0.759 1.00 0.00 C ATOM 1002 OD1 ASP A 62 3.497 17.254 -0.458 1.00 0.00 O ATOM 1003 OD2 ASP A 62 2.150 18.330 -1.750 1.00 0.00 O ATOM 0 H ASP A 62 0.392 18.105 1.329 1.00 0.00 H new ATOM 0 HA ASP A 62 2.607 18.216 1.884 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.481 20.330 -0.312 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.984 19.721 0.350 1.00 0.00 H new ATOM 1008 N ASN A 63 2.781 19.915 3.714 1.00 0.00 N ATOM 1009 CA ASN A 63 3.067 20.946 4.751 1.00 0.00 C ATOM 1010 C ASN A 63 4.460 21.538 4.519 1.00 0.00 C ATOM 1011 O ASN A 63 4.626 22.482 3.774 1.00 0.00 O ATOM 1012 CB ASN A 63 3.012 20.302 6.139 1.00 0.00 C ATOM 1013 CG ASN A 63 1.572 19.893 6.454 1.00 0.00 C ATOM 1014 OD1 ASN A 63 0.673 20.709 6.409 1.00 0.00 O ATOM 1015 ND2 ASN A 63 1.313 18.655 6.775 1.00 0.00 N ATOM 0 H ASN A 63 2.807 18.950 4.043 1.00 0.00 H new ATOM 0 HA ASN A 63 2.322 21.739 4.686 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.665 19.430 6.173 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.375 21.002 6.891 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.356 18.373 6.988 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.067 17.969 6.813 1.00 0.00 H new ATOM 1022 N GLU A 64 5.460 20.992 5.156 1.00 0.00 N ATOM 1023 CA GLU A 64 6.841 21.528 4.975 1.00 0.00 C ATOM 1024 C GLU A 64 7.858 20.518 5.520 1.00 0.00 C ATOM 1025 O GLU A 64 8.580 20.803 6.455 1.00 0.00 O ATOM 1026 CB GLU A 64 6.974 22.853 5.733 1.00 0.00 C ATOM 1027 CG GLU A 64 8.268 23.559 5.316 1.00 0.00 C ATOM 1028 CD GLU A 64 8.522 24.748 6.243 1.00 0.00 C ATOM 1029 OE1 GLU A 64 7.557 25.369 6.659 1.00 0.00 O ATOM 1030 OE2 GLU A 64 9.678 25.019 6.524 1.00 0.00 O ATOM 0 H GLU A 64 5.382 20.199 5.793 1.00 0.00 H new ATOM 0 HA GLU A 64 7.032 21.695 3.915 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.116 23.491 5.522 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.978 22.670 6.807 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.106 22.863 5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.193 23.899 4.283 1.00 0.00 H new ATOM 1037 N PRO A 65 7.912 19.343 4.944 1.00 0.00 N ATOM 1038 CA PRO A 65 8.860 18.275 5.382 1.00 0.00 C ATOM 1039 C PRO A 65 10.285 18.527 4.870 1.00 0.00 C ATOM 1040 O PRO A 65 10.548 18.466 3.685 1.00 0.00 O ATOM 1041 CB PRO A 65 8.261 17.006 4.760 1.00 0.00 C ATOM 1042 CG PRO A 65 7.612 17.486 3.498 1.00 0.00 C ATOM 1043 CD PRO A 65 7.079 18.895 3.809 1.00 0.00 C ATOM 0 HA PRO A 65 8.961 18.220 6.466 1.00 0.00 H new ATOM 0 HB2 PRO A 65 9.031 16.262 4.554 1.00 0.00 H new ATOM 0 HB3 PRO A 65 7.537 16.539 5.428 1.00 0.00 H new ATOM 0 HG2 PRO A 65 8.327 17.511 2.676 1.00 0.00 H new ATOM 0 HG3 PRO A 65 6.803 16.820 3.197 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.181 19.560 2.951 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.022 18.874 4.072 1.00 0.00 H new ATOM 1051 N ALA A 66 11.202 18.811 5.754 1.00 0.00 N ATOM 1052 CA ALA A 66 12.604 19.068 5.319 1.00 0.00 C ATOM 1053 C ALA A 66 13.268 17.748 4.919 1.00 0.00 C ATOM 1054 O ALA A 66 13.896 17.646 3.884 1.00 0.00 O ATOM 1055 CB ALA A 66 13.387 19.702 6.470 1.00 0.00 C ATOM 0 H ALA A 66 11.041 18.876 6.759 1.00 0.00 H new ATOM 0 HA ALA A 66 12.599 19.745 4.465 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.413 19.890 6.152 1.00 0.00 H new ATOM 0 HB2 ALA A 66 12.917 20.643 6.755 1.00 0.00 H new ATOM 0 HB3 ALA A 66 13.390 19.025 7.324 1.00 0.00 H new ATOM 1061 N THR A 67 13.135 16.735 5.731 1.00 0.00 N ATOM 1062 CA THR A 67 13.758 15.423 5.399 1.00 0.00 C ATOM 1063 C THR A 67 13.151 14.333 6.284 1.00 0.00 C ATOM 1064 O THR A 67 12.184 13.692 5.921 1.00 0.00 O ATOM 1065 CB THR A 67 15.270 15.500 5.641 1.00 0.00 C ATOM 1066 OG1 THR A 67 15.832 16.486 4.785 1.00 0.00 O ATOM 1067 CG2 THR A 67 15.911 14.142 5.346 1.00 0.00 C ATOM 0 H THR A 67 12.621 16.760 6.612 1.00 0.00 H new ATOM 0 HA THR A 67 13.571 15.185 4.352 1.00 0.00 H new ATOM 0 HB THR A 67 15.458 15.766 6.681 1.00 0.00 H new ATOM 0 HG1 THR A 67 15.206 16.682 4.057 1.00 0.00 H new ATOM 0 HG21 THR A 67 16.985 14.201 5.519 1.00 0.00 H new ATOM 0 HG22 THR A 67 15.479 13.386 6.001 1.00 0.00 H new ATOM 0 HG23 THR A 67 15.726 13.870 4.307 1.00 0.00 H new ATOM 1075 N ASN A 68 13.705 14.118 7.446 1.00 0.00 N ATOM 1076 CA ASN A 68 13.153 13.070 8.350 1.00 0.00 C ATOM 1077 C ASN A 68 11.717 13.434 8.728 1.00 0.00 C ATOM 1078 O ASN A 68 11.481 14.280 9.567 1.00 0.00 O ATOM 1079 CB ASN A 68 14.009 12.982 9.616 1.00 0.00 C ATOM 1080 CG ASN A 68 14.169 14.378 10.223 1.00 0.00 C ATOM 1081 OD1 ASN A 68 13.709 15.353 9.663 1.00 0.00 O ATOM 1082 ND2 ASN A 68 14.807 14.515 11.354 1.00 0.00 N ATOM 0 H ASN A 68 14.515 14.622 7.808 1.00 0.00 H new ATOM 0 HA ASN A 68 13.163 12.107 7.840 1.00 0.00 H new ATOM 0 HB2 ASN A 68 13.542 12.312 10.338 1.00 0.00 H new ATOM 0 HB3 ASN A 68 14.987 12.563 9.378 1.00 0.00 H new ATOM 0 HD21 ASN A 68 14.919 15.441 11.767 1.00 0.00 H new ATOM 0 HD22 ASN A 68 15.193 13.696 11.824 1.00 0.00 H new ATOM 1089 N THR A 69 10.754 12.803 8.111 1.00 0.00 N ATOM 1090 CA THR A 69 9.333 13.114 8.434 1.00 0.00 C ATOM 1091 C THR A 69 8.431 12.018 7.861 1.00 0.00 C ATOM 1092 O THR A 69 8.112 11.055 8.528 1.00 0.00 O ATOM 1093 CB THR A 69 8.954 14.465 7.820 1.00 0.00 C ATOM 1094 OG1 THR A 69 9.771 15.482 8.383 1.00 0.00 O ATOM 1095 CG2 THR A 69 7.484 14.769 8.111 1.00 0.00 C ATOM 0 H THR A 69 10.891 12.086 7.398 1.00 0.00 H new ATOM 0 HA THR A 69 9.206 13.160 9.516 1.00 0.00 H new ATOM 0 HB THR A 69 9.106 14.429 6.741 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.179 15.153 9.211 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.218 15.731 7.673 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.858 13.988 7.679 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.326 14.805 9.189 1.00 0.00 H new ATOM 1103 N LEU A 70 8.017 12.157 6.633 1.00 0.00 N ATOM 1104 CA LEU A 70 7.135 11.122 6.024 1.00 0.00 C ATOM 1105 C LEU A 70 7.919 9.823 5.833 1.00 0.00 C ATOM 1106 O LEU A 70 7.372 8.742 5.923 1.00 0.00 O ATOM 1107 CB LEU A 70 6.614 11.625 4.667 1.00 0.00 C ATOM 1108 CG LEU A 70 7.797 12.001 3.716 1.00 0.00 C ATOM 1109 CD1 LEU A 70 8.084 10.861 2.726 1.00 0.00 C ATOM 1110 CD2 LEU A 70 7.444 13.261 2.910 1.00 0.00 C ATOM 0 H LEU A 70 8.251 12.942 6.025 1.00 0.00 H new ATOM 0 HA LEU A 70 6.289 10.932 6.685 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.999 10.855 4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.974 12.495 4.819 1.00 0.00 H new ATOM 0 HG LEU A 70 8.677 12.180 4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.911 11.144 2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.349 9.959 3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.196 10.670 2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.274 13.515 2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.551 13.073 2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.257 14.089 3.593 1.00 0.00 H new ATOM 1122 N GLU A 71 9.193 9.912 5.560 1.00 0.00 N ATOM 1123 CA GLU A 71 9.997 8.676 5.352 1.00 0.00 C ATOM 1124 C GLU A 71 9.962 7.811 6.611 1.00 0.00 C ATOM 1125 O GLU A 71 10.012 6.599 6.540 1.00 0.00 O ATOM 1126 CB GLU A 71 11.445 9.057 5.036 1.00 0.00 C ATOM 1127 CG GLU A 71 11.489 9.856 3.732 1.00 0.00 C ATOM 1128 CD GLU A 71 11.154 8.936 2.557 1.00 0.00 C ATOM 1129 OE1 GLU A 71 11.518 7.773 2.618 1.00 0.00 O ATOM 1130 OE2 GLU A 71 10.539 9.409 1.615 1.00 0.00 O ATOM 0 H GLU A 71 9.710 10.787 5.472 1.00 0.00 H new ATOM 0 HA GLU A 71 9.576 8.112 4.520 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.863 9.648 5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.057 8.160 4.946 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.779 10.682 3.775 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.478 10.293 3.594 1.00 0.00 H new ATOM 1137 N VAL A 72 9.876 8.414 7.764 1.00 0.00 N ATOM 1138 CA VAL A 72 9.837 7.610 9.016 1.00 0.00 C ATOM 1139 C VAL A 72 8.469 6.950 9.148 1.00 0.00 C ATOM 1140 O VAL A 72 8.361 5.774 9.433 1.00 0.00 O ATOM 1141 CB VAL A 72 10.082 8.515 10.218 1.00 0.00 C ATOM 1142 CG1 VAL A 72 10.283 7.663 11.472 1.00 0.00 C ATOM 1143 CG2 VAL A 72 11.332 9.363 9.971 1.00 0.00 C ATOM 0 H VAL A 72 9.831 9.425 7.893 1.00 0.00 H new ATOM 0 HA VAL A 72 10.612 6.845 8.979 1.00 0.00 H new ATOM 0 HB VAL A 72 9.221 9.168 10.360 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.458 8.313 12.329 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.392 7.061 11.649 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.143 7.007 11.332 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.508 10.010 10.830 1.00 0.00 H new ATOM 0 HG22 VAL A 72 12.192 8.709 9.827 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.187 9.974 9.080 1.00 0.00 H new ATOM 1153 N HIS A 73 7.422 7.691 8.919 1.00 0.00 N ATOM 1154 CA HIS A 73 6.064 7.091 9.006 1.00 0.00 C ATOM 1155 C HIS A 73 6.027 5.898 8.058 1.00 0.00 C ATOM 1156 O HIS A 73 5.440 4.872 8.338 1.00 0.00 O ATOM 1157 CB HIS A 73 5.012 8.121 8.584 1.00 0.00 C ATOM 1158 CG HIS A 73 5.204 9.387 9.374 1.00 0.00 C ATOM 1159 ND1 HIS A 73 6.225 9.531 10.303 1.00 0.00 N ATOM 1160 CD2 HIS A 73 4.514 10.574 9.385 1.00 0.00 C ATOM 1161 CE1 HIS A 73 6.123 10.766 10.830 1.00 0.00 C ATOM 1162 NE2 HIS A 73 5.097 11.439 10.305 1.00 0.00 N ATOM 0 H HIS A 73 7.448 8.681 8.677 1.00 0.00 H new ATOM 0 HA HIS A 73 5.848 6.778 10.027 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.098 8.329 7.517 1.00 0.00 H new ATOM 0 HB3 HIS A 73 4.011 7.724 8.751 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.653 10.801 8.774 1.00 0.00 H new ATOM 0 HE1 HIS A 73 6.788 11.162 11.583 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.802 12.389 10.531 1.00 0.00 H new ATOM 1171 N ILE A 74 6.674 6.036 6.933 1.00 0.00 N ATOM 1172 CA ILE A 74 6.701 4.919 5.958 1.00 0.00 C ATOM 1173 C ILE A 74 7.512 3.775 6.557 1.00 0.00 C ATOM 1174 O ILE A 74 7.163 2.621 6.419 1.00 0.00 O ATOM 1175 CB ILE A 74 7.318 5.388 4.633 1.00 0.00 C ATOM 1176 CG1 ILE A 74 6.352 6.382 3.970 1.00 0.00 C ATOM 1177 CG2 ILE A 74 7.535 4.183 3.704 1.00 0.00 C ATOM 1178 CD1 ILE A 74 7.001 7.013 2.736 1.00 0.00 C ATOM 0 H ILE A 74 7.183 6.874 6.651 1.00 0.00 H new ATOM 0 HA ILE A 74 5.687 4.577 5.751 1.00 0.00 H new ATOM 0 HB ILE A 74 8.279 5.866 4.820 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.433 5.870 3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.076 7.160 4.682 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.973 4.522 2.765 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.208 3.471 4.182 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.578 3.700 3.505 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.304 7.715 2.277 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.907 7.542 3.032 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.254 6.232 2.019 1.00 0.00 H new ATOM 1190 N HIS A 75 8.589 4.074 7.225 1.00 0.00 N ATOM 1191 CA HIS A 75 9.396 2.979 7.827 1.00 0.00 C ATOM 1192 C HIS A 75 8.531 2.231 8.839 1.00 0.00 C ATOM 1193 O HIS A 75 8.617 1.026 8.983 1.00 0.00 O ATOM 1194 CB HIS A 75 10.624 3.565 8.528 1.00 0.00 C ATOM 1195 CG HIS A 75 11.561 4.137 7.501 1.00 0.00 C ATOM 1196 ND1 HIS A 75 12.835 4.582 7.827 1.00 0.00 N ATOM 1197 CD2 HIS A 75 11.426 4.344 6.150 1.00 0.00 C ATOM 1198 CE1 HIS A 75 13.410 5.031 6.694 1.00 0.00 C ATOM 1199 NE2 HIS A 75 12.593 4.907 5.647 1.00 0.00 N ATOM 0 H HIS A 75 8.943 5.018 7.379 1.00 0.00 H new ATOM 0 HA HIS A 75 9.730 2.294 7.048 1.00 0.00 H new ATOM 0 HB2 HIS A 75 10.319 4.341 9.230 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.129 2.792 9.107 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.548 4.106 5.568 1.00 0.00 H new ATOM 0 HE1 HIS A 75 14.408 5.440 6.640 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.784 5.170 4.680 1.00 0.00 H new ATOM 1208 N ASN A 76 7.683 2.941 9.531 1.00 0.00 N ATOM 1209 CA ASN A 76 6.795 2.282 10.527 1.00 0.00 C ATOM 1210 C ASN A 76 5.691 1.529 9.788 1.00 0.00 C ATOM 1211 O ASN A 76 5.322 0.430 10.149 1.00 0.00 O ATOM 1212 CB ASN A 76 6.173 3.343 11.436 1.00 0.00 C ATOM 1213 CG ASN A 76 5.279 2.664 12.475 1.00 0.00 C ATOM 1214 OD1 ASN A 76 4.259 3.199 12.858 1.00 0.00 O ATOM 1215 ND2 ASN A 76 5.623 1.498 12.951 1.00 0.00 N ATOM 0 H ASN A 76 7.567 3.951 9.449 1.00 0.00 H new ATOM 0 HA ASN A 76 7.373 1.584 11.133 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.956 3.916 11.933 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.590 4.048 10.844 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.035 1.037 13.645 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.480 1.048 12.629 1.00 0.00 H new ATOM 1222 N LEU A 77 5.147 2.120 8.765 1.00 0.00 N ATOM 1223 CA LEU A 77 4.051 1.450 8.007 1.00 0.00 C ATOM 1224 C LEU A 77 4.633 0.246 7.254 1.00 0.00 C ATOM 1225 O LEU A 77 4.048 -0.817 7.209 1.00 0.00 O ATOM 1226 CB LEU A 77 3.394 2.507 7.055 1.00 0.00 C ATOM 1227 CG LEU A 77 3.446 2.113 5.558 1.00 0.00 C ATOM 1228 CD1 LEU A 77 2.595 0.841 5.282 1.00 0.00 C ATOM 1229 CD2 LEU A 77 2.917 3.296 4.729 1.00 0.00 C ATOM 0 H LEU A 77 5.413 3.041 8.418 1.00 0.00 H new ATOM 0 HA LEU A 77 3.272 1.070 8.668 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.354 2.650 7.348 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.897 3.465 7.187 1.00 0.00 H new ATOM 0 HG LEU A 77 4.475 1.884 5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.651 0.589 4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.980 0.010 5.874 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.557 1.031 5.556 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.945 3.040 3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.890 3.516 5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.540 4.172 4.907 1.00 0.00 H new ATOM 1241 N ARG A 78 5.774 0.415 6.656 1.00 0.00 N ATOM 1242 CA ARG A 78 6.403 -0.699 5.889 1.00 0.00 C ATOM 1243 C ARG A 78 6.464 -1.975 6.737 1.00 0.00 C ATOM 1244 O ARG A 78 6.075 -3.038 6.294 1.00 0.00 O ATOM 1245 CB ARG A 78 7.823 -0.287 5.493 1.00 0.00 C ATOM 1246 CG ARG A 78 8.407 -1.308 4.513 1.00 0.00 C ATOM 1247 CD ARG A 78 9.797 -0.842 4.070 1.00 0.00 C ATOM 1248 NE ARG A 78 10.454 -1.917 3.271 1.00 0.00 N ATOM 1249 CZ ARG A 78 10.083 -2.138 2.039 1.00 0.00 C ATOM 1250 NH1 ARG A 78 9.123 -1.432 1.509 1.00 0.00 N ATOM 1251 NH2 ARG A 78 10.672 -3.068 1.337 1.00 0.00 N ATOM 0 H ARG A 78 6.306 1.285 6.664 1.00 0.00 H new ATOM 0 HA ARG A 78 5.804 -0.901 5.001 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.810 0.703 5.036 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.453 -0.220 6.380 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.472 -2.288 4.986 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.753 -1.415 3.648 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.714 0.068 3.476 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.405 -0.599 4.941 1.00 0.00 H new ATOM 0 HE ARG A 78 11.195 -2.481 3.688 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.661 -0.706 2.057 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.834 -1.606 0.546 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.422 -3.622 1.751 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.382 -3.241 0.374 1.00 0.00 H new ATOM 1265 N GLU A 79 6.971 -1.891 7.937 1.00 0.00 N ATOM 1266 CA GLU A 79 7.077 -3.118 8.785 1.00 0.00 C ATOM 1267 C GLU A 79 5.686 -3.665 9.126 1.00 0.00 C ATOM 1268 O GLU A 79 5.524 -4.841 9.387 1.00 0.00 O ATOM 1269 CB GLU A 79 7.830 -2.788 10.077 1.00 0.00 C ATOM 1270 CG GLU A 79 7.210 -1.556 10.734 1.00 0.00 C ATOM 1271 CD GLU A 79 7.820 -1.358 12.124 1.00 0.00 C ATOM 1272 OE1 GLU A 79 7.305 -1.941 13.063 1.00 0.00 O ATOM 1273 OE2 GLU A 79 8.791 -0.626 12.224 1.00 0.00 O ATOM 0 H GLU A 79 7.315 -1.032 8.367 1.00 0.00 H new ATOM 0 HA GLU A 79 7.622 -3.879 8.226 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.788 -3.636 10.760 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.882 -2.605 9.859 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.387 -0.674 10.118 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.130 -1.678 10.813 1.00 0.00 H new ATOM 1280 N LYS A 80 4.682 -2.832 9.140 1.00 0.00 N ATOM 1281 CA LYS A 80 3.318 -3.324 9.480 1.00 0.00 C ATOM 1282 C LYS A 80 2.767 -4.183 8.334 1.00 0.00 C ATOM 1283 O LYS A 80 2.208 -5.239 8.554 1.00 0.00 O ATOM 1284 CB LYS A 80 2.386 -2.131 9.723 1.00 0.00 C ATOM 1285 CG LYS A 80 2.731 -1.471 11.062 1.00 0.00 C ATOM 1286 CD LYS A 80 1.786 -0.296 11.311 1.00 0.00 C ATOM 1287 CE LYS A 80 1.982 0.225 12.736 1.00 0.00 C ATOM 1288 NZ LYS A 80 1.519 -0.805 13.709 1.00 0.00 N ATOM 0 H LYS A 80 4.747 -1.836 8.931 1.00 0.00 H new ATOM 0 HA LYS A 80 3.375 -3.931 10.384 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.486 -1.408 8.914 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.348 -2.463 9.727 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.645 -2.197 11.870 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.764 -1.124 11.053 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.981 0.500 10.592 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.752 -0.610 11.167 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.033 0.457 12.908 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.424 1.151 12.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.265 -0.345 14.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.687 -1.297 13.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.281 -1.492 13.876 1.00 0.00 H new ATOM 1302 N ILE A 81 2.906 -3.734 7.116 1.00 0.00 N ATOM 1303 CA ILE A 81 2.374 -4.521 5.965 1.00 0.00 C ATOM 1304 C ILE A 81 3.275 -5.725 5.691 1.00 0.00 C ATOM 1305 O ILE A 81 2.862 -6.693 5.085 1.00 0.00 O ATOM 1306 CB ILE A 81 2.324 -3.637 4.716 1.00 0.00 C ATOM 1307 CG1 ILE A 81 3.678 -2.951 4.514 1.00 0.00 C ATOM 1308 CG2 ILE A 81 1.236 -2.575 4.883 1.00 0.00 C ATOM 1309 CD1 ILE A 81 3.675 -2.197 3.181 1.00 0.00 C ATOM 0 H ILE A 81 3.364 -2.857 6.868 1.00 0.00 H new ATOM 0 HA ILE A 81 1.371 -4.869 6.211 1.00 0.00 H new ATOM 0 HB ILE A 81 2.099 -4.256 3.847 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.874 -2.260 5.334 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.478 -3.692 4.523 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.202 -1.946 3.993 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.271 -3.062 5.021 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.460 -1.959 5.754 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.639 -1.709 3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.499 -2.899 2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.885 -1.446 3.190 1.00 0.00 H new ATOM 1321 N GLY A 82 4.507 -5.670 6.113 1.00 0.00 N ATOM 1322 CA GLY A 82 5.434 -6.809 5.854 1.00 0.00 C ATOM 1323 C GLY A 82 5.978 -6.680 4.433 1.00 0.00 C ATOM 1324 O GLY A 82 5.464 -7.263 3.501 1.00 0.00 O ATOM 0 H GLY A 82 4.913 -4.887 6.626 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.252 -6.803 6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.911 -7.758 5.974 1.00 0.00 H new ATOM 1328 N LYS A 83 7.013 -5.904 4.268 1.00 0.00 N ATOM 1329 CA LYS A 83 7.612 -5.700 2.915 1.00 0.00 C ATOM 1330 C LYS A 83 7.751 -7.040 2.184 1.00 0.00 C ATOM 1331 O LYS A 83 7.921 -7.086 0.982 1.00 0.00 O ATOM 1332 CB LYS A 83 8.995 -5.064 3.067 1.00 0.00 C ATOM 1333 CG LYS A 83 9.817 -5.865 4.077 1.00 0.00 C ATOM 1334 CD LYS A 83 11.226 -5.278 4.168 1.00 0.00 C ATOM 1335 CE LYS A 83 12.115 -6.210 4.994 1.00 0.00 C ATOM 1336 NZ LYS A 83 12.367 -7.463 4.227 1.00 0.00 N ATOM 0 H LYS A 83 7.476 -5.395 5.021 1.00 0.00 H new ATOM 0 HA LYS A 83 6.960 -5.047 2.335 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.504 -5.042 2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.897 -4.031 3.400 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.337 -5.839 5.055 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.866 -6.911 3.774 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.644 -5.151 3.169 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.191 -4.290 4.627 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.059 -5.718 5.228 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.633 -6.443 5.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.239 -7.912 4.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.568 -8.116 4.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.470 -7.237 3.217 1.00 0.00 H new ATOM 1350 N SER A 84 7.690 -8.127 2.898 1.00 0.00 N ATOM 1351 CA SER A 84 7.831 -9.455 2.244 1.00 0.00 C ATOM 1352 C SER A 84 6.806 -9.587 1.115 1.00 0.00 C ATOM 1353 O SER A 84 7.134 -9.975 0.012 1.00 0.00 O ATOM 1354 CB SER A 84 7.606 -10.558 3.279 1.00 0.00 C ATOM 1355 OG SER A 84 6.363 -10.341 3.933 1.00 0.00 O ATOM 0 H SER A 84 7.548 -8.153 3.908 1.00 0.00 H new ATOM 0 HA SER A 84 8.834 -9.549 1.827 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.609 -11.534 2.794 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.417 -10.561 4.007 1.00 0.00 H new ATOM 0 HG SER A 84 6.215 -11.047 4.596 1.00 0.00 H new ATOM 1361 N ARG A 85 5.563 -9.276 1.379 1.00 0.00 N ATOM 1362 CA ARG A 85 4.518 -9.397 0.313 1.00 0.00 C ATOM 1363 C ARG A 85 4.598 -8.190 -0.638 1.00 0.00 C ATOM 1364 O ARG A 85 3.735 -7.999 -1.472 1.00 0.00 O ATOM 1365 CB ARG A 85 3.120 -9.463 0.970 1.00 0.00 C ATOM 1366 CG ARG A 85 2.754 -10.919 1.315 1.00 0.00 C ATOM 1367 CD ARG A 85 3.845 -11.565 2.192 1.00 0.00 C ATOM 1368 NE ARG A 85 4.866 -12.209 1.316 1.00 0.00 N ATOM 1369 CZ ARG A 85 5.703 -13.078 1.815 1.00 0.00 C ATOM 1370 NH1 ARG A 85 5.649 -13.384 3.082 1.00 0.00 N ATOM 1371 NH2 ARG A 85 6.594 -13.642 1.045 1.00 0.00 N ATOM 0 H ARG A 85 5.225 -8.944 2.283 1.00 0.00 H new ATOM 0 HA ARG A 85 4.689 -10.308 -0.261 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.108 -8.855 1.874 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.374 -9.045 0.294 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.798 -10.944 1.838 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.630 -11.495 0.398 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.315 -10.810 2.823 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.401 -12.305 2.858 1.00 0.00 H new ATOM 0 HE ARG A 85 4.910 -11.970 0.325 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.953 -12.944 3.684 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.303 -14.063 3.471 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.636 -13.404 0.054 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.248 -14.321 1.434 1.00 0.00 H new ATOM 1385 N ILE A 86 5.626 -7.377 -0.522 1.00 0.00 N ATOM 1386 CA ILE A 86 5.766 -6.180 -1.422 1.00 0.00 C ATOM 1387 C ILE A 86 7.206 -6.100 -1.938 1.00 0.00 C ATOM 1388 O ILE A 86 8.112 -6.672 -1.365 1.00 0.00 O ATOM 1389 CB ILE A 86 5.434 -4.895 -0.640 1.00 0.00 C ATOM 1390 CG1 ILE A 86 3.990 -4.969 -0.054 1.00 0.00 C ATOM 1391 CG2 ILE A 86 5.554 -3.687 -1.587 1.00 0.00 C ATOM 1392 CD1 ILE A 86 4.015 -5.521 1.381 1.00 0.00 C ATOM 0 H ILE A 86 6.377 -7.491 0.159 1.00 0.00 H new ATOM 0 HA ILE A 86 5.077 -6.279 -2.261 1.00 0.00 H new ATOM 0 HB ILE A 86 6.135 -4.787 0.188 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.538 -3.977 -0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.369 -5.606 -0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.321 -2.773 -1.042 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.571 -3.629 -1.975 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.856 -3.804 -2.416 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.998 -5.565 1.772 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.446 -6.522 1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.618 -4.868 2.012 1.00 0.00 H new ATOM 1404 N ARG A 87 7.420 -5.397 -3.025 1.00 0.00 N ATOM 1405 CA ARG A 87 8.800 -5.271 -3.600 1.00 0.00 C ATOM 1406 C ARG A 87 9.018 -3.844 -4.110 1.00 0.00 C ATOM 1407 O ARG A 87 8.267 -3.342 -4.922 1.00 0.00 O ATOM 1408 CB ARG A 87 8.949 -6.254 -4.763 1.00 0.00 C ATOM 1409 CG ARG A 87 8.978 -7.686 -4.223 1.00 0.00 C ATOM 1410 CD ARG A 87 9.191 -8.666 -5.378 1.00 0.00 C ATOM 1411 NE ARG A 87 8.978 -10.059 -4.892 1.00 0.00 N ATOM 1412 CZ ARG A 87 9.254 -11.072 -5.669 1.00 0.00 C ATOM 1413 NH1 ARG A 87 9.721 -10.867 -6.871 1.00 0.00 N ATOM 1414 NH2 ARG A 87 9.063 -12.291 -5.243 1.00 0.00 N ATOM 0 H ARG A 87 6.694 -4.902 -3.543 1.00 0.00 H new ATOM 0 HA ARG A 87 9.538 -5.494 -2.830 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.121 -6.135 -5.462 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.865 -6.044 -5.315 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.778 -7.793 -3.490 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.043 -7.911 -3.710 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.500 -8.443 -6.191 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.199 -8.559 -5.779 1.00 0.00 H new ATOM 0 HE ARG A 87 8.616 -10.221 -3.952 1.00 0.00 H new ATOM 0 HH11 ARG A 87 9.871 -9.915 -7.204 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.936 -11.659 -7.477 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.698 -12.452 -4.304 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.278 -13.083 -5.849 1.00 0.00 H new ATOM 1428 N THR A 88 10.048 -3.186 -3.638 1.00 0.00 N ATOM 1429 CA THR A 88 10.328 -1.787 -4.092 1.00 0.00 C ATOM 1430 C THR A 88 11.175 -1.829 -5.366 1.00 0.00 C ATOM 1431 O THR A 88 12.081 -2.628 -5.492 1.00 0.00 O ATOM 1432 CB THR A 88 11.098 -1.039 -2.995 1.00 0.00 C ATOM 1433 OG1 THR A 88 12.483 -1.341 -3.104 1.00 0.00 O ATOM 1434 CG2 THR A 88 10.590 -1.472 -1.618 1.00 0.00 C ATOM 0 H THR A 88 10.709 -3.558 -2.956 1.00 0.00 H new ATOM 0 HA THR A 88 9.388 -1.273 -4.293 1.00 0.00 H new ATOM 0 HB THR A 88 10.945 0.034 -3.113 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.978 -0.864 -2.406 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.140 -0.938 -0.843 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.528 -1.242 -1.533 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.740 -2.545 -1.496 1.00 0.00 H new ATOM 1442 N VAL A 89 10.873 -0.982 -6.322 1.00 0.00 N ATOM 1443 CA VAL A 89 11.641 -0.971 -7.612 1.00 0.00 C ATOM 1444 C VAL A 89 12.650 0.182 -7.627 1.00 0.00 C ATOM 1445 O VAL A 89 12.295 1.339 -7.522 1.00 0.00 O ATOM 1446 CB VAL A 89 10.660 -0.790 -8.771 1.00 0.00 C ATOM 1447 CG1 VAL A 89 11.409 -0.921 -10.099 1.00 0.00 C ATOM 1448 CG2 VAL A 89 9.573 -1.864 -8.691 1.00 0.00 C ATOM 0 H VAL A 89 10.123 -0.293 -6.265 1.00 0.00 H new ATOM 0 HA VAL A 89 12.180 -1.913 -7.712 1.00 0.00 H new ATOM 0 HB VAL A 89 10.202 0.197 -8.708 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.710 -0.792 -10.925 1.00 0.00 H new ATOM 0 HG12 VAL A 89 12.184 -0.157 -10.157 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.867 -1.908 -10.162 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.873 -1.736 -9.517 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.031 -2.851 -8.754 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.039 -1.771 -7.745 1.00 0.00 H new ATOM 1458 N ARG A 90 13.910 -0.137 -7.776 1.00 0.00 N ATOM 1459 CA ARG A 90 14.967 0.918 -7.824 1.00 0.00 C ATOM 1460 C ARG A 90 14.779 1.915 -6.671 1.00 0.00 C ATOM 1461 O ARG A 90 15.148 3.068 -6.772 1.00 0.00 O ATOM 1462 CB ARG A 90 14.879 1.649 -9.177 1.00 0.00 C ATOM 1463 CG ARG A 90 16.211 2.342 -9.501 1.00 0.00 C ATOM 1464 CD ARG A 90 16.140 2.948 -10.904 1.00 0.00 C ATOM 1465 NE ARG A 90 14.959 3.854 -10.995 1.00 0.00 N ATOM 1466 CZ ARG A 90 14.981 5.019 -10.407 1.00 0.00 C ATOM 1467 NH1 ARG A 90 16.035 5.390 -9.733 1.00 0.00 N ATOM 1468 NH2 ARG A 90 13.949 5.812 -10.492 1.00 0.00 N ATOM 0 H ARG A 90 14.255 -1.093 -7.867 1.00 0.00 H new ATOM 0 HA ARG A 90 15.948 0.456 -7.718 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.631 0.939 -9.965 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.076 2.386 -9.147 1.00 0.00 H new ATOM 0 HG2 ARG A 90 16.417 3.121 -8.766 1.00 0.00 H new ATOM 0 HG3 ARG A 90 17.030 1.625 -9.443 1.00 0.00 H new ATOM 0 HD2 ARG A 90 17.054 3.502 -11.119 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.063 2.157 -11.650 1.00 0.00 H new ATOM 0 HE ARG A 90 14.133 3.563 -11.518 1.00 0.00 H new ATOM 0 HH11 ARG A 90 16.842 4.770 -9.666 1.00 0.00 H new ATOM 0 HH12 ARG A 90 16.052 6.300 -9.274 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.125 5.522 -11.018 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.966 6.722 -10.032 1.00 0.00 H new ATOM 1482 N GLY A 91 14.214 1.484 -5.574 1.00 0.00 N ATOM 1483 CA GLY A 91 14.015 2.412 -4.419 1.00 0.00 C ATOM 1484 C GLY A 91 13.384 3.721 -4.908 1.00 0.00 C ATOM 1485 O GLY A 91 13.846 4.800 -4.595 1.00 0.00 O ATOM 0 H GLY A 91 13.882 0.531 -5.427 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.373 1.945 -3.672 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.970 2.616 -3.936 1.00 0.00 H new ATOM 1489 N PHE A 92 12.330 3.624 -5.678 1.00 0.00 N ATOM 1490 CA PHE A 92 11.642 4.835 -6.213 1.00 0.00 C ATOM 1491 C PHE A 92 10.131 4.627 -6.090 1.00 0.00 C ATOM 1492 O PHE A 92 9.469 5.271 -5.301 1.00 0.00 O ATOM 1493 CB PHE A 92 12.044 5.028 -7.688 1.00 0.00 C ATOM 1494 CG PHE A 92 11.074 5.956 -8.395 1.00 0.00 C ATOM 1495 CD1 PHE A 92 11.235 7.344 -8.304 1.00 0.00 C ATOM 1496 CD2 PHE A 92 10.011 5.423 -9.139 1.00 0.00 C ATOM 1497 CE1 PHE A 92 10.335 8.197 -8.956 1.00 0.00 C ATOM 1498 CE2 PHE A 92 9.113 6.276 -9.788 1.00 0.00 C ATOM 1499 CZ PHE A 92 9.274 7.663 -9.697 1.00 0.00 C ATOM 0 H PHE A 92 11.911 2.739 -5.963 1.00 0.00 H new ATOM 0 HA PHE A 92 11.929 5.725 -5.652 1.00 0.00 H new ATOM 0 HB2 PHE A 92 13.052 5.438 -7.744 1.00 0.00 H new ATOM 0 HB3 PHE A 92 12.064 4.062 -8.193 1.00 0.00 H new ATOM 0 HD1 PHE A 92 12.053 7.757 -7.732 1.00 0.00 H new ATOM 0 HD2 PHE A 92 9.886 4.353 -9.211 1.00 0.00 H new ATOM 0 HE1 PHE A 92 10.460 9.268 -8.887 1.00 0.00 H new ATOM 0 HE2 PHE A 92 8.295 5.864 -10.360 1.00 0.00 H new ATOM 0 HZ PHE A 92 8.580 8.321 -10.198 1.00 0.00 H new ATOM 1509 N GLY A 93 9.585 3.728 -6.867 1.00 0.00 N ATOM 1510 CA GLY A 93 8.115 3.459 -6.811 1.00 0.00 C ATOM 1511 C GLY A 93 7.864 2.197 -5.987 1.00 0.00 C ATOM 1512 O GLY A 93 8.625 1.857 -5.103 1.00 0.00 O ATOM 0 H GLY A 93 10.098 3.163 -7.544 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.595 4.307 -6.366 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.718 3.335 -7.818 1.00 0.00 H new ATOM 1516 N TYR A 94 6.802 1.496 -6.278 1.00 0.00 N ATOM 1517 CA TYR A 94 6.486 0.243 -5.529 1.00 0.00 C ATOM 1518 C TYR A 94 5.750 -0.704 -6.474 1.00 0.00 C ATOM 1519 O TYR A 94 5.172 -0.289 -7.459 1.00 0.00 O ATOM 1520 CB TYR A 94 5.598 0.578 -4.313 1.00 0.00 C ATOM 1521 CG TYR A 94 6.463 0.975 -3.135 1.00 0.00 C ATOM 1522 CD1 TYR A 94 6.935 2.287 -3.023 1.00 0.00 C ATOM 1523 CD2 TYR A 94 6.796 0.025 -2.160 1.00 0.00 C ATOM 1524 CE1 TYR A 94 7.738 2.649 -1.937 1.00 0.00 C ATOM 1525 CE2 TYR A 94 7.597 0.388 -1.074 1.00 0.00 C ATOM 1526 CZ TYR A 94 8.069 1.701 -0.961 1.00 0.00 C ATOM 1527 OH TYR A 94 8.862 2.060 0.109 1.00 0.00 O ATOM 0 H TYR A 94 6.133 1.739 -7.009 1.00 0.00 H new ATOM 0 HA TYR A 94 7.401 -0.228 -5.170 1.00 0.00 H new ATOM 0 HB2 TYR A 94 4.915 1.390 -4.563 1.00 0.00 H new ATOM 0 HB3 TYR A 94 4.985 -0.285 -4.051 1.00 0.00 H new ATOM 0 HD1 TYR A 94 6.680 3.019 -3.774 1.00 0.00 H new ATOM 0 HD2 TYR A 94 6.433 -0.988 -2.248 1.00 0.00 H new ATOM 0 HE1 TYR A 94 8.104 3.662 -1.851 1.00 0.00 H new ATOM 0 HE2 TYR A 94 7.852 -0.344 -0.322 1.00 0.00 H new ATOM 0 HH TYR A 94 8.994 1.284 0.693 1.00 0.00 H new ATOM 1537 N MET A 95 5.768 -1.976 -6.187 1.00 0.00 N ATOM 1538 CA MET A 95 5.071 -2.946 -7.083 1.00 0.00 C ATOM 1539 C MET A 95 4.791 -4.245 -6.332 1.00 0.00 C ATOM 1540 O MET A 95 5.676 -4.858 -5.768 1.00 0.00 O ATOM 1541 CB MET A 95 5.955 -3.243 -8.296 1.00 0.00 C ATOM 1542 CG MET A 95 5.274 -4.277 -9.197 1.00 0.00 C ATOM 1543 SD MET A 95 6.135 -4.352 -10.787 1.00 0.00 S ATOM 1544 CE MET A 95 7.422 -5.523 -10.294 1.00 0.00 C ATOM 0 H MET A 95 6.232 -2.386 -5.376 1.00 0.00 H new ATOM 0 HA MET A 95 4.126 -2.512 -7.411 1.00 0.00 H new ATOM 0 HB2 MET A 95 6.140 -2.326 -8.855 1.00 0.00 H new ATOM 0 HB3 MET A 95 6.925 -3.617 -7.967 1.00 0.00 H new ATOM 0 HG2 MET A 95 5.286 -5.256 -8.718 1.00 0.00 H new ATOM 0 HG3 MET A 95 4.228 -4.010 -9.350 1.00 0.00 H new ATOM 0 HE1 MET A 95 8.081 -5.717 -11.140 1.00 0.00 H new ATOM 0 HE2 MET A 95 8.001 -5.102 -9.472 1.00 0.00 H new ATOM 0 HE3 MET A 95 6.961 -6.457 -9.972 1.00 0.00 H new ATOM 1554 N LEU A 96 3.559 -4.672 -6.334 1.00 0.00 N ATOM 1555 CA LEU A 96 3.193 -5.941 -5.637 1.00 0.00 C ATOM 1556 C LEU A 96 3.468 -7.118 -6.579 1.00 0.00 C ATOM 1557 O LEU A 96 3.080 -7.109 -7.730 1.00 0.00 O ATOM 1558 CB LEU A 96 1.696 -5.900 -5.270 1.00 0.00 C ATOM 1559 CG LEU A 96 1.493 -5.162 -3.939 1.00 0.00 C ATOM 1560 CD1 LEU A 96 2.141 -3.776 -4.001 1.00 0.00 C ATOM 1561 CD2 LEU A 96 -0.005 -5.006 -3.675 1.00 0.00 C ATOM 0 H LEU A 96 2.783 -4.194 -6.792 1.00 0.00 H new ATOM 0 HA LEU A 96 3.782 -6.058 -4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.135 -5.401 -6.060 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.305 -6.915 -5.194 1.00 0.00 H new ATOM 0 HG LEU A 96 1.956 -5.737 -3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.991 -3.261 -3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.209 -3.882 -4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.685 -3.197 -4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.155 -4.482 -2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.459 -4.434 -4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.470 -5.991 -3.622 1.00 0.00 H new ATOM 1573 N ALA A 97 4.131 -8.134 -6.097 1.00 0.00 N ATOM 1574 CA ALA A 97 4.424 -9.308 -6.965 1.00 0.00 C ATOM 1575 C ALA A 97 3.115 -9.840 -7.551 1.00 0.00 C ATOM 1576 O ALA A 97 2.170 -10.112 -6.839 1.00 0.00 O ATOM 1577 CB ALA A 97 5.094 -10.403 -6.132 1.00 0.00 C ATOM 0 H ALA A 97 4.481 -8.201 -5.141 1.00 0.00 H new ATOM 0 HA ALA A 97 5.092 -9.009 -7.773 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.309 -11.263 -6.767 1.00 0.00 H new ATOM 0 HB2 ALA A 97 6.024 -10.022 -5.710 1.00 0.00 H new ATOM 0 HB3 ALA A 97 4.427 -10.706 -5.325 1.00 0.00 H new ATOM 1583 N ASN A 98 3.051 -9.987 -8.846 1.00 0.00 N ATOM 1584 CA ASN A 98 1.800 -10.499 -9.480 1.00 0.00 C ATOM 1585 C ASN A 98 1.366 -11.792 -8.789 1.00 0.00 C ATOM 1586 O ASN A 98 0.372 -11.833 -8.093 1.00 0.00 O ATOM 1587 CB ASN A 98 2.057 -10.772 -10.964 1.00 0.00 C ATOM 1588 CG ASN A 98 2.537 -9.488 -11.643 1.00 0.00 C ATOM 1589 OD1 ASN A 98 3.707 -9.345 -11.942 1.00 0.00 O ATOM 1590 ND2 ASN A 98 1.678 -8.541 -11.901 1.00 0.00 N ATOM 0 H ASN A 98 3.810 -9.775 -9.494 1.00 0.00 H new ATOM 0 HA ASN A 98 1.011 -9.754 -9.378 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.805 -11.557 -11.076 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.145 -11.130 -11.442 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.988 -7.681 -12.353 1.00 0.00 H new ATOM 0 HD22 ASN A 98 0.697 -8.661 -11.650 1.00 0.00 H new ATOM 1597 N ASN A 99 2.109 -12.847 -8.974 1.00 0.00 N ATOM 1598 CA ASN A 99 1.752 -14.145 -8.329 1.00 0.00 C ATOM 1599 C ASN A 99 2.998 -15.029 -8.251 1.00 0.00 C ATOM 1600 O ASN A 99 2.943 -16.222 -8.472 1.00 0.00 O ATOM 1601 CB ASN A 99 0.676 -14.851 -9.160 1.00 0.00 C ATOM 1602 CG ASN A 99 -0.648 -14.097 -9.029 1.00 0.00 C ATOM 1603 OD1 ASN A 99 -1.236 -14.059 -7.966 1.00 0.00 O ATOM 1604 ND2 ASN A 99 -1.147 -13.492 -10.072 1.00 0.00 N ATOM 0 H ASN A 99 2.953 -12.868 -9.547 1.00 0.00 H new ATOM 0 HA ASN A 99 1.370 -13.961 -7.325 1.00 0.00 H new ATOM 0 HB2 ASN A 99 0.980 -14.894 -10.206 1.00 0.00 H new ATOM 0 HB3 ASN A 99 0.556 -15.880 -8.820 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -2.030 -12.987 -9.995 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -0.654 -13.524 -10.964 1.00 0.00 H new ATOM 1611 N ILE A 100 4.125 -14.446 -7.938 1.00 0.00 N ATOM 1612 CA ILE A 100 5.389 -15.239 -7.842 1.00 0.00 C ATOM 1613 C ILE A 100 5.480 -15.853 -6.449 1.00 0.00 C ATOM 1614 O ILE A 100 6.308 -16.699 -6.173 1.00 0.00 O ATOM 1615 CB ILE A 100 6.597 -14.321 -8.084 1.00 0.00 C ATOM 1616 CG1 ILE A 100 6.380 -13.511 -9.372 1.00 0.00 C ATOM 1617 CG2 ILE A 100 7.869 -15.169 -8.221 1.00 0.00 C ATOM 1618 CD1 ILE A 100 7.478 -12.455 -9.514 1.00 0.00 C ATOM 0 H ILE A 100 4.226 -13.450 -7.744 1.00 0.00 H new ATOM 0 HA ILE A 100 5.388 -16.028 -8.594 1.00 0.00 H new ATOM 0 HB ILE A 100 6.705 -13.639 -7.241 1.00 0.00 H new ATOM 0 HG12 ILE A 100 6.389 -14.176 -10.236 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.402 -13.030 -9.349 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.725 -14.516 -8.393 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.026 -15.740 -7.306 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.761 -15.854 -9.062 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.318 -11.885 -10.429 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.449 -11.782 -8.657 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.451 -12.945 -9.557 1.00 0.00 H new ATOM 1630 N ASP A 101 4.624 -15.429 -5.571 1.00 0.00 N ATOM 1631 CA ASP A 101 4.635 -15.974 -4.186 1.00 0.00 C ATOM 1632 C ASP A 101 4.364 -17.478 -4.226 1.00 0.00 C ATOM 1633 O ASP A 101 4.873 -18.234 -3.422 1.00 0.00 O ATOM 1634 CB ASP A 101 3.551 -15.281 -3.356 1.00 0.00 C ATOM 1635 CG ASP A 101 3.877 -13.792 -3.231 1.00 0.00 C ATOM 1636 OD1 ASP A 101 5.030 -13.477 -2.990 1.00 0.00 O ATOM 1637 OD2 ASP A 101 2.968 -12.993 -3.381 1.00 0.00 O ATOM 0 H ASP A 101 3.910 -14.723 -5.751 1.00 0.00 H new ATOM 0 HA ASP A 101 5.610 -15.794 -3.733 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.577 -15.412 -3.828 1.00 0.00 H new ATOM 0 HB3 ASP A 101 3.490 -15.735 -2.367 1.00 0.00 H new ATOM 1642 N THR A 102 3.564 -17.920 -5.157 1.00 0.00 N ATOM 1643 CA THR A 102 3.258 -19.377 -5.253 1.00 0.00 C ATOM 1644 C THR A 102 4.459 -20.109 -5.856 1.00 0.00 C ATOM 1645 O THR A 102 5.386 -19.498 -6.350 1.00 0.00 O ATOM 1646 CB THR A 102 2.033 -19.582 -6.147 1.00 0.00 C ATOM 1647 OG1 THR A 102 2.363 -19.234 -7.484 1.00 0.00 O ATOM 1648 CG2 THR A 102 0.885 -18.701 -5.655 1.00 0.00 C ATOM 0 H THR A 102 3.108 -17.335 -5.857 1.00 0.00 H new ATOM 0 HA THR A 102 3.052 -19.773 -4.259 1.00 0.00 H new ATOM 0 HB THR A 102 1.725 -20.627 -6.109 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.493 -18.265 -7.547 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.014 -18.849 -6.293 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.633 -18.971 -4.629 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.188 -17.655 -5.691 1.00 0.00 H new ATOM 1656 N GLU A 103 4.450 -21.414 -5.820 1.00 0.00 N ATOM 1657 CA GLU A 103 5.591 -22.182 -6.391 1.00 0.00 C ATOM 1658 C GLU A 103 5.208 -23.659 -6.499 1.00 0.00 C ATOM 1659 O GLU A 103 4.784 -24.065 -7.567 1.00 0.00 O ATOM 1660 CB GLU A 103 6.812 -22.035 -5.481 1.00 0.00 C ATOM 1661 CG GLU A 103 8.033 -22.659 -6.160 1.00 0.00 C ATOM 1662 CD GLU A 103 9.271 -22.435 -5.289 1.00 0.00 C ATOM 1663 OE1 GLU A 103 9.477 -21.311 -4.863 1.00 0.00 O ATOM 1664 OE2 GLU A 103 9.993 -23.393 -5.064 1.00 0.00 O ATOM 1665 OXT GLU A 103 5.346 -24.359 -5.509 1.00 0.00 O ATOM 0 H GLU A 103 3.702 -21.980 -5.420 1.00 0.00 H new ATOM 0 HA GLU A 103 5.830 -21.796 -7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.998 -20.982 -5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.626 -22.522 -4.524 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.871 -23.726 -6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.182 -22.214 -7.144 1.00 0.00 H new TER 1672 GLU A 103