USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 766 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 78 HIS : no HE2:sc= -0.0818 K(o=0.42,f=-2.1) USER MOD Set 1.2: B 208 THR OG1 : rot -107:sc= 0.499 USER MOD Set 2.1: A 69 ASN : amide:sc= 0.841 K(o=0.51,f=-6!) USER MOD Set 2.2: A 93 HIS : no HE2:sc= -0.333 X(o=0.51,f=0.49) USER MOD Single : A 8 MET CE :methyl 159:sc= -0.0472 (180deg=-0.417) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -172:sc= 0.621 (180deg=0.542) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 34 ASN : amide:sc= 0.207 K(o=0.21,f=-4.7!) USER MOD Single : A 35 THR OG1 : rot 122:sc= 1.23 USER MOD Single : A 36 SER OG : rot -51:sc= 1.22 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00591) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS :FLIP no HD1:sc= -0.158 F(o=-1.3,f=-0.16) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.496 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc=-0.00521 K(o=-0.0052,f=-1.3) USER MOD Single : A 84 THR OG1 : rot 87:sc= 1.26 USER MOD Single : A 87 ASN : amide:sc= -0.0526 K(o=-0.053,f=-1.7!) USER MOD Single : A 88 THR OG1 : rot 130:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 98 LYS NZ :NH3+ -140:sc= 0.812 (180deg=-0.637) USER MOD Single : A 100 GLN : amide:sc= -0.0827 K(o=-0.083,f=-3.5!) USER MOD Single : B 205 TYR OH : rot 180:sc= 0 USER MOD Single : B 209 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 8 -16.140 -10.283 0.639 1.00 0.00 N ATOM 2 CA MET A 8 -14.748 -10.392 0.329 1.00 0.00 C ATOM 3 C MET A 8 -14.566 -11.322 -0.821 1.00 0.00 C ATOM 4 O MET A 8 -15.324 -12.277 -0.974 1.00 0.00 O ATOM 5 CB MET A 8 -13.907 -10.872 1.523 1.00 0.00 C ATOM 6 CG MET A 8 -14.124 -10.093 2.822 1.00 0.00 C ATOM 7 SD MET A 8 -15.454 -10.695 3.906 1.00 0.00 S ATOM 8 CE MET A 8 -14.668 -12.243 4.440 1.00 0.00 C ATOM 0 HA MET A 8 -14.395 -9.393 0.072 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.130 -11.923 1.706 1.00 0.00 H new ATOM 0 HB3 MET A 8 -12.853 -10.812 1.253 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.192 -10.102 3.386 1.00 0.00 H new ATOM 0 HG3 MET A 8 -14.333 -9.054 2.568 1.00 0.00 H new ATOM 0 HE1 MET A 8 -15.126 -12.582 5.370 1.00 0.00 H new ATOM 0 HE2 MET A 8 -14.803 -13.004 3.671 1.00 0.00 H new ATOM 0 HE3 MET A 8 -13.603 -12.074 4.600 1.00 0.00 H new ATOM 18 N LYS A 9 -13.561 -11.102 -1.688 1.00 0.00 N ATOM 19 CA LYS A 9 -13.255 -11.970 -2.782 1.00 0.00 C ATOM 20 C LYS A 9 -11.862 -12.468 -2.600 1.00 0.00 C ATOM 21 O LYS A 9 -11.029 -11.690 -2.136 1.00 0.00 O ATOM 22 CB LYS A 9 -13.388 -11.226 -4.122 1.00 0.00 C ATOM 23 CG LYS A 9 -14.851 -10.993 -4.506 1.00 0.00 C ATOM 24 CD LYS A 9 -15.057 -10.053 -5.695 1.00 0.00 C ATOM 25 CE LYS A 9 -14.798 -8.584 -5.355 1.00 0.00 C ATOM 26 NZ LYS A 9 -15.183 -7.680 -6.462 1.00 0.00 N ATOM 0 H LYS A 9 -12.942 -10.294 -1.625 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.955 -12.805 -2.800 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.873 -10.267 -4.057 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.894 -11.800 -4.906 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.310 -11.955 -4.737 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.379 -10.587 -3.643 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.394 -10.354 -6.506 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.078 -10.160 -6.061 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.356 -8.316 -4.458 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.741 -8.446 -5.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.991 -6.695 -6.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.632 -7.917 -7.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -16.197 -7.791 -6.664 1.00 0.00 H new ATOM 40 N PRO A 10 -11.496 -13.689 -2.855 1.00 0.00 N ATOM 41 CA PRO A 10 -10.151 -14.144 -2.652 1.00 0.00 C ATOM 42 C PRO A 10 -9.237 -13.663 -3.726 1.00 0.00 C ATOM 43 O PRO A 10 -9.609 -13.658 -4.899 1.00 0.00 O ATOM 44 CB PRO A 10 -10.276 -15.666 -2.645 1.00 0.00 C ATOM 45 CG PRO A 10 -11.462 -15.954 -3.578 1.00 0.00 C ATOM 46 CD PRO A 10 -12.379 -14.746 -3.324 1.00 0.00 C ATOM 0 HA PRO A 10 -9.714 -13.761 -1.730 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.363 -16.142 -3.004 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.459 -16.045 -1.640 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.153 -16.018 -4.621 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.953 -16.896 -3.333 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.900 -14.449 -4.234 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.142 -14.980 -2.582 1.00 0.00 H new ATOM 54 N GLY A 11 -8.018 -13.224 -3.363 1.00 0.00 N ATOM 55 CA GLY A 11 -6.999 -12.827 -4.284 1.00 0.00 C ATOM 56 C GLY A 11 -7.256 -11.618 -5.117 1.00 0.00 C ATOM 57 O GLY A 11 -6.695 -11.486 -6.204 1.00 0.00 O ATOM 0 H GLY A 11 -7.731 -13.143 -2.388 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.083 -12.657 -3.719 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.809 -13.664 -4.956 1.00 0.00 H new ATOM 61 N ASP A 12 -8.106 -10.686 -4.653 1.00 0.00 N ATOM 62 CA ASP A 12 -8.589 -9.598 -5.445 1.00 0.00 C ATOM 63 C ASP A 12 -7.839 -8.338 -5.176 1.00 0.00 C ATOM 64 O ASP A 12 -8.055 -7.678 -4.161 1.00 0.00 O ATOM 65 CB ASP A 12 -10.098 -9.487 -5.164 1.00 0.00 C ATOM 66 CG ASP A 12 -10.782 -8.487 -6.086 1.00 0.00 C ATOM 67 OD1 ASP A 12 -10.795 -8.718 -7.325 1.00 0.00 O ATOM 68 OD2 ASP A 12 -11.300 -7.458 -5.576 1.00 0.00 O ATOM 0 H ASP A 12 -8.468 -10.689 -3.699 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.427 -9.779 -6.508 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.561 -10.466 -5.285 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.252 -9.187 -4.127 1.00 0.00 H new ATOM 73 N THR A 13 -6.931 -7.927 -6.078 1.00 0.00 N ATOM 74 CA THR A 13 -6.148 -6.737 -5.940 1.00 0.00 C ATOM 75 C THR A 13 -6.899 -5.485 -6.238 1.00 0.00 C ATOM 76 O THR A 13 -7.728 -5.428 -7.145 1.00 0.00 O ATOM 77 CB THR A 13 -4.913 -6.680 -6.789 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.157 -7.083 -8.129 1.00 0.00 O ATOM 79 CG2 THR A 13 -3.832 -7.618 -6.224 1.00 0.00 C ATOM 0 H THR A 13 -6.734 -8.442 -6.936 1.00 0.00 H new ATOM 0 HA THR A 13 -5.870 -6.794 -4.888 1.00 0.00 H new ATOM 0 HB THR A 13 -4.586 -5.640 -6.778 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.325 -7.028 -8.644 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.942 -7.566 -6.851 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.580 -7.312 -5.209 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.208 -8.641 -6.212 1.00 0.00 H new ATOM 87 N PHE A 14 -6.611 -4.405 -5.490 1.00 0.00 N ATOM 88 CA PHE A 14 -7.148 -3.099 -5.711 1.00 0.00 C ATOM 89 C PHE A 14 -6.019 -2.127 -5.768 1.00 0.00 C ATOM 90 O PHE A 14 -5.121 -2.132 -4.929 1.00 0.00 O ATOM 91 CB PHE A 14 -8.223 -2.590 -4.736 1.00 0.00 C ATOM 92 CG PHE A 14 -8.100 -3.025 -3.316 1.00 0.00 C ATOM 93 CD1 PHE A 14 -8.215 -4.353 -2.977 1.00 0.00 C ATOM 94 CD2 PHE A 14 -7.975 -2.106 -2.301 1.00 0.00 C ATOM 95 CE1 PHE A 14 -8.077 -4.770 -1.675 1.00 0.00 C ATOM 96 CE2 PHE A 14 -7.807 -2.513 -0.998 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.839 -3.851 -0.681 1.00 0.00 C ATOM 0 H PHE A 14 -5.974 -4.445 -4.694 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.692 -3.186 -6.652 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.215 -1.500 -4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.197 -2.910 -5.106 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.417 -5.081 -3.748 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.009 -1.051 -2.530 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.156 -5.820 -1.433 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.649 -1.779 -0.221 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.679 -4.176 0.337 1.00 0.00 H new ATOM 107 N GLU A 15 -6.030 -1.248 -6.787 1.00 0.00 N ATOM 108 CA GLU A 15 -5.076 -0.192 -6.929 1.00 0.00 C ATOM 109 C GLU A 15 -5.694 1.098 -6.513 1.00 0.00 C ATOM 110 O GLU A 15 -6.208 1.869 -7.321 1.00 0.00 O ATOM 111 CB GLU A 15 -4.466 -0.098 -8.338 1.00 0.00 C ATOM 112 CG GLU A 15 -3.985 -1.430 -8.917 1.00 0.00 C ATOM 113 CD GLU A 15 -4.901 -1.949 -10.015 1.00 0.00 C ATOM 114 OE1 GLU A 15 -4.817 -1.427 -11.160 1.00 0.00 O ATOM 115 OE2 GLU A 15 -5.712 -2.877 -9.757 1.00 0.00 O ATOM 0 H GLU A 15 -6.724 -1.273 -7.534 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.238 -0.423 -6.272 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.208 0.329 -9.013 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.625 0.595 -8.310 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.978 -1.307 -9.315 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.924 -2.169 -8.119 1.00 0.00 H new ATOM 122 N VAL A 16 -5.668 1.390 -5.201 1.00 0.00 N ATOM 123 CA VAL A 16 -6.139 2.594 -4.588 1.00 0.00 C ATOM 124 C VAL A 16 -5.253 3.729 -4.968 1.00 0.00 C ATOM 125 O VAL A 16 -4.089 3.504 -5.295 1.00 0.00 O ATOM 126 CB VAL A 16 -6.121 2.445 -3.095 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.846 3.602 -2.387 1.00 0.00 C ATOM 128 CG2 VAL A 16 -6.810 1.133 -2.684 1.00 0.00 C ATOM 0 H VAL A 16 -5.289 0.735 -4.518 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.157 2.788 -4.927 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.073 2.447 -2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.807 3.450 -1.308 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.360 4.544 -2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.886 3.632 -2.711 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.791 1.036 -1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.844 1.141 -3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.285 0.290 -3.133 1.00 0.00 H new ATOM 138 N GLU A 17 -5.702 4.996 -4.965 1.00 0.00 N ATOM 139 CA GLU A 17 -4.843 6.138 -5.021 1.00 0.00 C ATOM 140 C GLU A 17 -5.212 7.109 -3.953 1.00 0.00 C ATOM 141 O GLU A 17 -6.339 7.594 -3.864 1.00 0.00 O ATOM 142 CB GLU A 17 -4.732 6.739 -6.432 1.00 0.00 C ATOM 143 CG GLU A 17 -5.730 7.796 -6.910 1.00 0.00 C ATOM 144 CD GLU A 17 -7.116 7.303 -7.304 1.00 0.00 C ATOM 145 OE1 GLU A 17 -7.448 6.095 -7.172 1.00 0.00 O ATOM 146 OE2 GLU A 17 -7.907 8.157 -7.787 1.00 0.00 O ATOM 0 H GLU A 17 -6.693 5.234 -4.922 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.823 5.817 -4.809 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.737 7.175 -6.518 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.779 5.910 -7.139 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.845 8.537 -6.119 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.296 8.310 -7.767 1.00 0.00 H new ATOM 153 N LEU A 18 -4.266 7.384 -3.036 1.00 0.00 N ATOM 154 CA LEU A 18 -4.507 8.201 -1.887 1.00 0.00 C ATOM 155 C LEU A 18 -3.564 9.355 -1.876 1.00 0.00 C ATOM 156 O LEU A 18 -2.442 9.257 -2.371 1.00 0.00 O ATOM 157 CB LEU A 18 -4.176 7.452 -0.586 1.00 0.00 C ATOM 158 CG LEU A 18 -4.949 6.139 -0.376 1.00 0.00 C ATOM 159 CD1 LEU A 18 -4.330 5.455 0.856 1.00 0.00 C ATOM 160 CD2 LEU A 18 -6.467 6.358 -0.265 1.00 0.00 C ATOM 0 H LEU A 18 -3.311 7.030 -3.095 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.556 8.494 -1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.108 7.233 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.377 8.113 0.257 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.852 5.488 -1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.846 4.514 1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.274 5.258 0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.431 6.107 1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.963 5.399 -0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.680 7.010 0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.836 6.820 -1.181 1.00 0.00 H new ATOM 172 N ALA A 19 -3.961 10.460 -1.220 1.00 0.00 N ATOM 173 CA ALA A 19 -3.052 11.486 -0.814 1.00 0.00 C ATOM 174 C ALA A 19 -2.846 11.404 0.659 1.00 0.00 C ATOM 175 O ALA A 19 -3.778 11.503 1.456 1.00 0.00 O ATOM 176 CB ALA A 19 -3.534 12.876 -1.263 1.00 0.00 C ATOM 0 H ALA A 19 -4.932 10.644 -0.967 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.091 11.331 -1.304 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.819 13.632 -0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.617 12.899 -2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.508 13.084 -0.820 1.00 0.00 H new ATOM 182 N LYS A 20 -1.590 11.182 1.085 1.00 0.00 N ATOM 183 CA LYS A 20 -1.189 11.114 2.456 1.00 0.00 C ATOM 184 C LYS A 20 -1.353 12.408 3.176 1.00 0.00 C ATOM 185 O LYS A 20 -0.809 13.443 2.792 1.00 0.00 O ATOM 186 CB LYS A 20 0.266 10.635 2.593 1.00 0.00 C ATOM 187 CG LYS A 20 1.202 11.195 1.520 1.00 0.00 C ATOM 188 CD LYS A 20 2.698 10.948 1.728 1.00 0.00 C ATOM 189 CE LYS A 20 3.143 9.490 1.595 1.00 0.00 C ATOM 190 NZ LYS A 20 3.254 8.753 2.874 1.00 0.00 N ATOM 0 H LYS A 20 -0.813 11.043 0.439 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.856 10.388 2.920 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.642 10.920 3.575 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.286 9.546 2.548 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.915 10.768 0.559 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.039 12.271 1.452 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.253 11.548 1.006 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.975 11.306 2.720 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.436 8.967 0.951 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.110 9.465 1.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.688 7.824 2.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.845 9.294 3.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.307 8.623 3.283 1.00 0.00 H new ATOM 204 N THR A 21 -2.117 12.402 4.282 1.00 0.00 N ATOM 205 CA THR A 21 -2.453 13.578 5.024 1.00 0.00 C ATOM 206 C THR A 21 -1.423 13.814 6.076 1.00 0.00 C ATOM 207 O THR A 21 -1.198 12.999 6.968 1.00 0.00 O ATOM 208 CB THR A 21 -3.860 13.553 5.543 1.00 0.00 C ATOM 209 OG1 THR A 21 -4.240 14.789 6.130 1.00 0.00 O ATOM 210 CG2 THR A 21 -4.159 12.426 6.545 1.00 0.00 C ATOM 0 H THR A 21 -2.515 11.549 4.674 1.00 0.00 H new ATOM 0 HA THR A 21 -2.437 14.436 4.352 1.00 0.00 H new ATOM 0 HB THR A 21 -4.452 13.361 4.648 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.163 14.728 6.453 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.199 12.489 6.864 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.983 11.461 6.070 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.507 12.528 7.412 1.00 0.00 H new ATOM 218 N ASP A 22 -0.687 14.933 5.950 1.00 0.00 N ATOM 219 CA ASP A 22 0.444 15.297 6.746 1.00 0.00 C ATOM 220 C ASP A 22 1.507 14.257 6.839 1.00 0.00 C ATOM 221 O ASP A 22 2.091 14.003 7.892 1.00 0.00 O ATOM 222 CB ASP A 22 0.017 15.855 8.115 1.00 0.00 C ATOM 223 CG ASP A 22 -0.851 17.089 7.905 1.00 0.00 C ATOM 224 OD1 ASP A 22 -0.380 18.039 7.225 1.00 0.00 O ATOM 225 OD2 ASP A 22 -1.993 17.152 8.432 1.00 0.00 O ATOM 0 H ASP A 22 -0.899 15.633 5.240 1.00 0.00 H new ATOM 0 HA ASP A 22 0.931 16.107 6.203 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.535 15.099 8.673 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.896 16.110 8.707 1.00 0.00 H new ATOM 230 N GLY A 23 1.816 13.618 5.696 1.00 0.00 N ATOM 231 CA GLY A 23 2.828 12.614 5.583 1.00 0.00 C ATOM 232 C GLY A 23 2.502 11.305 6.218 1.00 0.00 C ATOM 233 O GLY A 23 3.366 10.706 6.856 1.00 0.00 O ATOM 0 H GLY A 23 1.341 13.809 4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.032 12.445 4.526 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.747 12.996 6.028 1.00 0.00 H new ATOM 237 N SER A 24 1.266 10.805 6.043 1.00 0.00 N ATOM 238 CA SER A 24 0.731 9.669 6.727 1.00 0.00 C ATOM 239 C SER A 24 -0.503 9.329 5.963 1.00 0.00 C ATOM 240 O SER A 24 -1.470 10.084 5.885 1.00 0.00 O ATOM 241 CB SER A 24 0.388 10.002 8.189 1.00 0.00 C ATOM 242 OG SER A 24 -0.101 8.889 8.922 1.00 0.00 O ATOM 0 H SER A 24 0.603 11.217 5.387 1.00 0.00 H new ATOM 0 HA SER A 24 1.443 8.845 6.770 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.278 10.390 8.684 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.359 10.796 8.207 1.00 0.00 H new ATOM 0 HG SER A 24 -0.299 9.164 9.842 1.00 0.00 H new ATOM 248 N LEU A 25 -0.505 8.158 5.299 1.00 0.00 N ATOM 249 CA LEU A 25 -1.654 7.556 4.696 1.00 0.00 C ATOM 250 C LEU A 25 -2.486 6.985 5.792 1.00 0.00 C ATOM 251 O LEU A 25 -3.710 6.882 5.725 1.00 0.00 O ATOM 252 CB LEU A 25 -1.189 6.382 3.819 1.00 0.00 C ATOM 253 CG LEU A 25 -0.116 6.732 2.773 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.778 5.510 2.508 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.768 7.322 1.511 1.00 0.00 C ATOM 0 H LEU A 25 0.341 7.602 5.177 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.205 8.287 4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.800 5.597 4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.056 5.969 3.303 1.00 0.00 H new ATOM 0 HG LEU A 25 0.543 7.512 3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.535 5.767 1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.266 5.208 3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.168 4.687 2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.005 7.564 0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.456 6.593 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.315 8.227 1.774 1.00 0.00 H new ATOM 267 N GLY A 26 -1.790 6.605 6.879 1.00 0.00 N ATOM 268 CA GLY A 26 -2.387 6.254 8.130 1.00 0.00 C ATOM 269 C GLY A 26 -2.185 4.808 8.431 1.00 0.00 C ATOM 270 O GLY A 26 -2.855 4.265 9.307 1.00 0.00 O ATOM 0 H GLY A 26 -0.772 6.540 6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.954 6.859 8.926 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.453 6.478 8.104 1.00 0.00 H new ATOM 274 N ILE A 27 -1.294 4.124 7.694 1.00 0.00 N ATOM 275 CA ILE A 27 -1.213 2.703 7.839 1.00 0.00 C ATOM 276 C ILE A 27 0.108 2.312 8.406 1.00 0.00 C ATOM 277 O ILE A 27 1.164 2.711 7.917 1.00 0.00 O ATOM 278 CB ILE A 27 -1.610 1.988 6.581 1.00 0.00 C ATOM 279 CG1 ILE A 27 -1.148 2.730 5.315 1.00 0.00 C ATOM 280 CG2 ILE A 27 -3.146 1.908 6.615 1.00 0.00 C ATOM 281 CD1 ILE A 27 -1.251 1.849 4.070 1.00 0.00 C ATOM 0 H ILE A 27 -0.649 4.535 7.019 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.951 2.371 8.569 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.140 1.005 6.540 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.754 3.626 5.177 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.117 3.059 5.443 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.504 1.396 5.722 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.462 1.357 7.501 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.562 2.915 6.647 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.915 2.411 3.198 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.624 0.966 4.196 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.287 1.541 3.927 1.00 0.00 H new ATOM 293 N SER A 28 0.058 1.549 9.513 1.00 0.00 N ATOM 294 CA SER A 28 1.203 1.011 10.178 1.00 0.00 C ATOM 295 C SER A 28 1.734 -0.227 9.541 1.00 0.00 C ATOM 296 O SER A 28 1.033 -1.233 9.451 1.00 0.00 O ATOM 297 CB SER A 28 1.013 0.607 11.649 1.00 0.00 C ATOM 298 OG SER A 28 0.676 1.732 12.447 1.00 0.00 O ATOM 0 H SER A 28 -0.821 1.296 9.964 1.00 0.00 H new ATOM 0 HA SER A 28 1.878 1.863 10.102 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.228 -0.145 11.725 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.929 0.151 12.026 1.00 0.00 H new ATOM 0 HG SER A 28 0.559 1.449 13.378 1.00 0.00 H new ATOM 304 N VAL A 29 3.011 -0.227 9.118 1.00 0.00 N ATOM 305 CA VAL A 29 3.596 -1.378 8.503 1.00 0.00 C ATOM 306 C VAL A 29 4.030 -2.493 9.391 1.00 0.00 C ATOM 307 O VAL A 29 4.719 -2.311 10.394 1.00 0.00 O ATOM 308 CB VAL A 29 4.725 -1.009 7.586 1.00 0.00 C ATOM 309 CG1 VAL A 29 4.130 -0.186 6.432 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.819 -0.224 8.330 1.00 0.00 C ATOM 0 H VAL A 29 3.640 0.572 9.202 1.00 0.00 H new ATOM 0 HA VAL A 29 2.749 -1.782 7.949 1.00 0.00 H new ATOM 0 HB VAL A 29 5.206 -1.907 7.200 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.924 0.101 5.743 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.389 -0.785 5.903 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.655 0.710 6.831 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.622 0.027 7.637 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.394 0.692 8.741 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.218 -0.834 9.140 1.00 0.00 H new ATOM 320 N THR A 30 3.656 -3.735 9.034 1.00 0.00 N ATOM 321 CA THR A 30 4.145 -4.948 9.612 1.00 0.00 C ATOM 322 C THR A 30 4.620 -5.848 8.524 1.00 0.00 C ATOM 323 O THR A 30 4.424 -5.594 7.337 1.00 0.00 O ATOM 324 CB THR A 30 3.166 -5.635 10.518 1.00 0.00 C ATOM 325 OG1 THR A 30 3.686 -6.779 11.180 1.00 0.00 O ATOM 326 CG2 THR A 30 1.886 -6.072 9.787 1.00 0.00 C ATOM 0 H THR A 30 2.971 -3.901 8.297 1.00 0.00 H new ATOM 0 HA THR A 30 4.977 -4.685 10.265 1.00 0.00 H new ATOM 0 HB THR A 30 2.941 -4.870 11.261 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.992 -7.170 11.751 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.214 -6.563 10.491 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.392 -5.197 9.364 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.143 -6.766 8.987 1.00 0.00 H new ATOM 334 N GLY A 31 5.291 -6.951 8.899 1.00 0.00 N ATOM 335 CA GLY A 31 5.804 -7.948 8.011 1.00 0.00 C ATOM 336 C GLY A 31 7.162 -7.639 7.483 1.00 0.00 C ATOM 337 O GLY A 31 8.118 -7.478 8.240 1.00 0.00 O ATOM 0 H GLY A 31 5.487 -7.159 9.878 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.836 -8.905 8.533 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.116 -8.064 7.173 1.00 0.00 H new ATOM 341 N GLY A 32 7.303 -7.588 6.146 1.00 0.00 N ATOM 342 CA GLY A 32 8.540 -7.308 5.484 1.00 0.00 C ATOM 343 C GLY A 32 9.366 -8.526 5.255 1.00 0.00 C ATOM 344 O GLY A 32 9.278 -9.513 5.984 1.00 0.00 O ATOM 0 H GLY A 32 6.528 -7.747 5.503 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.333 -6.831 4.526 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.111 -6.595 6.079 1.00 0.00 H new ATOM 348 N VAL A 33 10.249 -8.493 4.242 1.00 0.00 N ATOM 349 CA VAL A 33 11.086 -9.589 3.863 1.00 0.00 C ATOM 350 C VAL A 33 12.014 -10.011 4.952 1.00 0.00 C ATOM 351 O VAL A 33 12.420 -11.167 5.055 1.00 0.00 O ATOM 352 CB VAL A 33 11.842 -9.287 2.603 1.00 0.00 C ATOM 353 CG1 VAL A 33 13.017 -8.320 2.824 1.00 0.00 C ATOM 354 CG2 VAL A 33 12.336 -10.582 1.939 1.00 0.00 C ATOM 0 H VAL A 33 10.386 -7.666 3.661 1.00 0.00 H new ATOM 0 HA VAL A 33 10.421 -10.431 3.672 1.00 0.00 H new ATOM 0 HB VAL A 33 11.140 -8.786 1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.524 -8.141 1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 33 12.642 -7.376 3.219 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.719 -8.757 3.534 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.881 -10.338 1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.995 -11.114 2.625 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.482 -11.213 1.693 1.00 0.00 H new ATOM 364 N ASN A 34 12.329 -9.078 5.869 1.00 0.00 N ATOM 365 CA ASN A 34 13.152 -9.247 7.026 1.00 0.00 C ATOM 366 C ASN A 34 12.578 -10.183 8.033 1.00 0.00 C ATOM 367 O ASN A 34 13.293 -10.903 8.727 1.00 0.00 O ATOM 368 CB ASN A 34 13.458 -7.888 7.678 1.00 0.00 C ATOM 369 CG ASN A 34 12.194 -7.084 7.947 1.00 0.00 C ATOM 370 OD1 ASN A 34 11.557 -6.586 7.021 1.00 0.00 O ATOM 371 ND2 ASN A 34 11.776 -6.966 9.237 1.00 0.00 N ATOM 0 H ASN A 34 11.976 -8.124 5.792 1.00 0.00 H new ATOM 0 HA ASN A 34 14.078 -9.701 6.673 1.00 0.00 H new ATOM 0 HB2 ASN A 34 13.992 -8.048 8.615 1.00 0.00 H new ATOM 0 HB3 ASN A 34 14.120 -7.315 7.028 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.919 -6.456 9.451 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.320 -7.387 9.990 1.00 0.00 H new ATOM 378 N THR A 35 11.238 -10.229 8.143 1.00 0.00 N ATOM 379 CA THR A 35 10.524 -11.119 9.006 1.00 0.00 C ATOM 380 C THR A 35 10.440 -12.464 8.372 1.00 0.00 C ATOM 381 O THR A 35 10.768 -13.479 8.986 1.00 0.00 O ATOM 382 CB THR A 35 9.142 -10.619 9.306 1.00 0.00 C ATOM 383 OG1 THR A 35 9.219 -9.346 9.930 1.00 0.00 O ATOM 384 CG2 THR A 35 8.408 -11.545 10.290 1.00 0.00 C ATOM 0 H THR A 35 10.624 -9.617 7.605 1.00 0.00 H new ATOM 0 HA THR A 35 11.068 -11.179 9.949 1.00 0.00 H new ATOM 0 HB THR A 35 8.605 -10.577 8.358 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.720 -8.691 9.399 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.410 -11.152 10.484 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.327 -12.543 9.859 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.966 -11.598 11.225 1.00 0.00 H new ATOM 392 N SER A 36 10.029 -12.479 7.091 1.00 0.00 N ATOM 393 CA SER A 36 9.733 -13.583 6.231 1.00 0.00 C ATOM 394 C SER A 36 8.257 -13.753 6.127 1.00 0.00 C ATOM 395 O SER A 36 7.570 -14.155 7.064 1.00 0.00 O ATOM 396 CB SER A 36 10.483 -14.918 6.385 1.00 0.00 C ATOM 397 OG SER A 36 10.119 -15.630 7.558 1.00 0.00 O ATOM 0 H SER A 36 9.887 -11.597 6.598 1.00 0.00 H new ATOM 0 HA SER A 36 10.177 -13.269 5.286 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.285 -15.541 5.513 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.556 -14.725 6.403 1.00 0.00 H new ATOM 0 HG SER A 36 10.179 -15.035 8.334 1.00 0.00 H new ATOM 403 N VAL A 37 7.714 -13.370 4.958 1.00 0.00 N ATOM 404 CA VAL A 37 6.321 -13.131 4.740 1.00 0.00 C ATOM 405 C VAL A 37 5.931 -13.698 3.419 1.00 0.00 C ATOM 406 O VAL A 37 5.405 -13.006 2.548 1.00 0.00 O ATOM 407 CB VAL A 37 6.046 -11.656 4.782 1.00 0.00 C ATOM 408 CG1 VAL A 37 5.998 -11.140 6.230 1.00 0.00 C ATOM 409 CG2 VAL A 37 7.085 -10.844 3.989 1.00 0.00 C ATOM 0 H VAL A 37 8.277 -13.219 4.121 1.00 0.00 H new ATOM 0 HA VAL A 37 5.735 -13.613 5.523 1.00 0.00 H new ATOM 0 HB VAL A 37 5.072 -11.515 4.313 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.797 -10.069 6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.207 -11.656 6.774 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.956 -11.329 6.715 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.842 -9.783 4.050 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.077 -11.014 4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.074 -11.159 2.946 1.00 0.00 H new ATOM 419 N ARG A 38 6.179 -15.003 3.204 1.00 0.00 N ATOM 420 CA ARG A 38 6.040 -15.709 1.969 1.00 0.00 C ATOM 421 C ARG A 38 7.057 -15.371 0.933 1.00 0.00 C ATOM 422 O ARG A 38 7.844 -16.225 0.527 1.00 0.00 O ATOM 423 CB ARG A 38 4.605 -15.728 1.417 1.00 0.00 C ATOM 424 CG ARG A 38 4.385 -16.653 0.219 1.00 0.00 C ATOM 425 CD ARG A 38 2.929 -16.701 -0.250 1.00 0.00 C ATOM 426 NE ARG A 38 2.876 -17.588 -1.447 1.00 0.00 N ATOM 427 CZ ARG A 38 1.828 -17.602 -2.322 1.00 0.00 C ATOM 428 NH1 ARG A 38 0.703 -16.856 -2.127 1.00 0.00 N ATOM 429 NH2 ARG A 38 1.837 -18.413 -3.420 1.00 0.00 N ATOM 0 H ARG A 38 6.503 -15.611 3.956 1.00 0.00 H new ATOM 0 HA ARG A 38 6.264 -16.739 2.245 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.928 -16.027 2.217 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.329 -14.714 1.129 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.015 -16.322 -0.607 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.708 -17.660 0.482 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.283 -17.084 0.540 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.572 -15.701 -0.497 1.00 0.00 H new ATOM 0 HE ARG A 38 3.661 -18.215 -1.621 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.623 -16.260 -1.303 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.058 -16.894 -2.805 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.636 -19.022 -3.598 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.045 -18.410 -4.063 1.00 0.00 H new ATOM 443 N HIS A 39 7.102 -14.115 0.455 1.00 0.00 N ATOM 444 CA HIS A 39 8.049 -13.645 -0.508 1.00 0.00 C ATOM 445 C HIS A 39 8.549 -12.295 -0.127 1.00 0.00 C ATOM 446 O HIS A 39 9.752 -12.044 -0.073 1.00 0.00 O ATOM 447 CB HIS A 39 7.422 -13.588 -1.912 1.00 0.00 C ATOM 448 CG HIS A 39 8.343 -13.160 -3.016 1.00 0.00 C ATOM 449 ND1 HIS A 39 7.804 -12.524 -4.115 1.00 0.00 N ATOM 450 CD2 HIS A 39 9.679 -13.346 -3.183 1.00 0.00 C ATOM 451 CE1 HIS A 39 8.820 -12.330 -4.935 1.00 0.00 C ATOM 452 NE2 HIS A 39 9.983 -12.806 -4.416 1.00 0.00 N ATOM 0 H HIS A 39 6.447 -13.393 0.754 1.00 0.00 H new ATOM 0 HA HIS A 39 8.884 -14.345 -0.527 1.00 0.00 H new ATOM 0 HB2 HIS A 39 7.027 -14.575 -2.154 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.574 -12.903 -1.884 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.362 -13.819 -2.493 1.00 0.00 H new ATOM 0 HE1 HIS A 39 8.738 -11.852 -5.900 1.00 0.00 H new ATOM 0 HE2 HIS A 39 10.904 -12.771 -4.854 1.00 0.00 H new ATOM 460 N GLY A 40 7.650 -11.337 0.163 1.00 0.00 N ATOM 461 CA GLY A 40 7.980 -9.989 0.511 1.00 0.00 C ATOM 462 C GLY A 40 6.678 -9.283 0.673 1.00 0.00 C ATOM 463 O GLY A 40 5.716 -9.799 1.240 1.00 0.00 O ATOM 0 H GLY A 40 6.645 -11.511 0.154 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.561 -9.954 1.432 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.585 -9.521 -0.266 1.00 0.00 H new ATOM 467 N GLY A 41 6.606 -8.051 0.138 1.00 0.00 N ATOM 468 CA GLY A 41 5.532 -7.142 0.396 1.00 0.00 C ATOM 469 C GLY A 41 5.602 -6.550 1.761 1.00 0.00 C ATOM 470 O GLY A 41 6.421 -6.931 2.596 1.00 0.00 O ATOM 0 H GLY A 41 7.315 -7.676 -0.492 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.551 -6.343 -0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.582 -7.664 0.278 1.00 0.00 H new ATOM 474 N ILE A 42 4.721 -5.578 2.056 1.00 0.00 N ATOM 475 CA ILE A 42 4.559 -5.064 3.380 1.00 0.00 C ATOM 476 C ILE A 42 3.118 -5.254 3.706 1.00 0.00 C ATOM 477 O ILE A 42 2.313 -5.536 2.820 1.00 0.00 O ATOM 478 CB ILE A 42 5.099 -3.676 3.563 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.508 -3.395 5.019 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.146 -2.553 3.121 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.785 -4.099 5.476 1.00 0.00 C ATOM 0 H ILE A 42 4.111 -5.142 1.364 1.00 0.00 H new ATOM 0 HA ILE A 42 5.169 -5.605 4.103 1.00 0.00 H new ATOM 0 HB ILE A 42 5.970 -3.661 2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.639 -2.320 5.143 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.691 -3.695 5.675 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.620 -1.586 3.290 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.918 -2.665 2.061 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.223 -2.611 3.698 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.992 -3.840 6.514 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.656 -5.178 5.390 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.619 -3.782 4.850 1.00 0.00 H new ATOM 493 N TYR A 43 2.714 -5.217 4.989 1.00 0.00 N ATOM 494 CA TYR A 43 1.382 -5.577 5.367 1.00 0.00 C ATOM 495 C TYR A 43 0.894 -4.507 6.282 1.00 0.00 C ATOM 496 O TYR A 43 1.681 -3.850 6.961 1.00 0.00 O ATOM 497 CB TYR A 43 1.368 -6.917 6.123 1.00 0.00 C ATOM 498 CG TYR A 43 1.813 -8.073 5.296 1.00 0.00 C ATOM 499 CD1 TYR A 43 3.139 -8.260 4.982 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.894 -8.991 4.846 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.525 -9.266 4.127 1.00 0.00 C ATOM 502 CE2 TYR A 43 1.283 -10.052 4.061 1.00 0.00 C ATOM 503 CZ TYR A 43 2.595 -10.168 3.668 1.00 0.00 C ATOM 504 OH TYR A 43 2.990 -11.187 2.775 1.00 0.00 O ATOM 0 H TYR A 43 3.312 -4.937 5.767 1.00 0.00 H new ATOM 0 HA TYR A 43 0.756 -5.681 4.481 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.013 -6.838 6.998 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.359 -7.109 6.487 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.886 -7.609 5.412 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.147 -8.878 5.112 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.556 -9.347 3.817 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.559 -10.792 3.754 1.00 0.00 H new ATOM 0 HH TYR A 43 2.214 -11.741 2.547 1.00 0.00 H new ATOM 514 N VAL A 44 -0.425 -4.254 6.347 1.00 0.00 N ATOM 515 CA VAL A 44 -0.973 -3.242 7.195 1.00 0.00 C ATOM 516 C VAL A 44 -1.317 -3.848 8.513 1.00 0.00 C ATOM 517 O VAL A 44 -2.149 -4.750 8.604 1.00 0.00 O ATOM 518 CB VAL A 44 -2.250 -2.703 6.621 1.00 0.00 C ATOM 519 CG1 VAL A 44 -2.755 -1.569 7.530 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.047 -2.198 5.182 1.00 0.00 C ATOM 0 H VAL A 44 -1.123 -4.760 5.802 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.236 -2.445 7.292 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.991 -3.501 6.578 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.684 -1.166 7.127 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.934 -1.958 8.532 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.006 -0.779 7.576 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.991 -1.814 4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.302 -1.402 5.177 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.704 -3.020 4.553 1.00 0.00 H new ATOM 530 N LYS A 45 -0.706 -3.367 9.610 1.00 0.00 N ATOM 531 CA LYS A 45 -1.009 -3.816 10.934 1.00 0.00 C ATOM 532 C LYS A 45 -2.207 -3.112 11.471 1.00 0.00 C ATOM 533 O LYS A 45 -3.216 -3.724 11.818 1.00 0.00 O ATOM 534 CB LYS A 45 0.191 -3.594 11.870 1.00 0.00 C ATOM 535 CG LYS A 45 0.140 -4.373 13.186 1.00 0.00 C ATOM 536 CD LYS A 45 -0.487 -3.605 14.352 1.00 0.00 C ATOM 537 CE LYS A 45 -0.473 -4.359 15.683 1.00 0.00 C ATOM 538 NZ LYS A 45 -1.352 -5.548 15.632 1.00 0.00 N ATOM 0 H LYS A 45 0.017 -2.648 9.576 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.224 -4.883 10.884 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.102 -3.868 11.338 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.263 -2.530 12.098 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.423 -5.293 13.028 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.154 -4.663 13.462 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.044 -2.661 14.477 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.518 -3.360 14.098 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.546 -4.666 15.920 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.800 -3.696 16.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.350 -6.021 16.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.321 -5.253 15.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.004 -6.206 14.906 1.00 0.00 H new ATOM 552 N ALA A 46 -2.122 -1.773 11.574 1.00 0.00 N ATOM 553 CA ALA A 46 -3.152 -0.950 12.128 1.00 0.00 C ATOM 554 C ALA A 46 -3.675 0.002 11.109 1.00 0.00 C ATOM 555 O ALA A 46 -2.932 0.689 10.410 1.00 0.00 O ATOM 556 CB ALA A 46 -2.664 -0.178 13.366 1.00 0.00 C ATOM 0 H ALA A 46 -1.307 -1.245 11.260 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.958 -1.614 12.441 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.476 0.435 13.756 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.342 -0.884 14.132 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.827 0.463 13.089 1.00 0.00 H new ATOM 562 N ILE A 47 -5.018 0.052 11.037 1.00 0.00 N ATOM 563 CA ILE A 47 -5.795 1.062 10.388 1.00 0.00 C ATOM 564 C ILE A 47 -6.149 2.046 11.450 1.00 0.00 C ATOM 565 O ILE A 47 -6.582 1.668 12.537 1.00 0.00 O ATOM 566 CB ILE A 47 -7.047 0.513 9.773 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.758 -0.607 8.758 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.881 1.617 9.099 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.796 -0.205 7.642 1.00 0.00 C ATOM 0 H ILE A 47 -5.602 -0.667 11.464 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.224 1.507 9.573 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.622 0.087 10.595 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.344 -1.465 9.288 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.699 -0.931 8.313 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.780 1.180 8.665 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.162 2.364 9.841 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.292 2.090 8.313 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.645 -1.050 6.970 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.215 0.632 7.084 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.840 0.090 8.074 1.00 0.00 H new ATOM 581 N ILE A 48 -5.939 3.349 11.187 1.00 0.00 N ATOM 582 CA ILE A 48 -6.256 4.383 12.123 1.00 0.00 C ATOM 583 C ILE A 48 -7.535 5.066 11.777 1.00 0.00 C ATOM 584 O ILE A 48 -7.922 5.060 10.609 1.00 0.00 O ATOM 585 CB ILE A 48 -5.178 5.419 12.240 1.00 0.00 C ATOM 586 CG1 ILE A 48 -4.953 6.215 10.943 1.00 0.00 C ATOM 587 CG2 ILE A 48 -3.931 4.708 12.793 1.00 0.00 C ATOM 588 CD1 ILE A 48 -3.702 7.092 11.002 1.00 0.00 C ATOM 0 H ILE A 48 -5.543 3.690 10.311 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.354 3.877 13.083 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.473 6.205 12.935 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.868 5.522 10.106 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.823 6.842 10.750 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.118 5.427 12.895 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.160 4.278 13.768 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.631 3.915 12.108 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.591 7.631 10.061 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.796 7.806 11.821 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.826 6.465 11.166 1.00 0.00 H new ATOM 600 N PRO A 49 -8.200 5.703 12.694 1.00 0.00 N ATOM 601 CA PRO A 49 -9.331 6.532 12.392 1.00 0.00 C ATOM 602 C PRO A 49 -8.968 7.768 11.643 1.00 0.00 C ATOM 603 O PRO A 49 -8.366 8.670 12.224 1.00 0.00 O ATOM 604 CB PRO A 49 -9.952 6.859 13.748 1.00 0.00 C ATOM 605 CG PRO A 49 -9.430 5.761 14.687 1.00 0.00 C ATOM 606 CD PRO A 49 -8.019 5.524 14.126 1.00 0.00 C ATOM 0 HA PRO A 49 -10.026 6.015 11.730 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.654 7.850 14.092 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.041 6.853 13.697 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.409 6.087 15.727 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -10.044 4.861 14.647 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -7.299 6.234 14.533 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.653 4.525 14.364 1.00 0.00 H new ATOM 614 N LYS A 50 -9.335 7.853 10.351 1.00 0.00 N ATOM 615 CA LYS A 50 -9.298 9.035 9.548 1.00 0.00 C ATOM 616 C LYS A 50 -7.947 9.558 9.202 1.00 0.00 C ATOM 617 O LYS A 50 -7.609 10.704 9.495 1.00 0.00 O ATOM 618 CB LYS A 50 -10.143 10.204 10.081 1.00 0.00 C ATOM 619 CG LYS A 50 -11.616 9.902 10.366 1.00 0.00 C ATOM 620 CD LYS A 50 -12.341 11.102 10.979 1.00 0.00 C ATOM 621 CE LYS A 50 -12.546 12.275 10.019 1.00 0.00 C ATOM 622 NZ LYS A 50 -13.202 13.407 10.712 1.00 0.00 N ATOM 0 H LYS A 50 -9.680 7.043 9.836 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.747 8.650 8.633 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.684 10.566 11.001 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.094 11.019 9.358 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.112 9.614 9.439 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.687 9.051 11.044 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.314 10.775 11.346 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.775 11.450 11.843 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.585 12.595 9.617 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.155 11.957 9.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.333 14.194 10.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.128 13.103 11.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.606 13.721 11.505 1.00 0.00 H new ATOM 636 N GLY A 51 -7.122 8.769 8.490 1.00 0.00 N ATOM 637 CA GLY A 51 -5.970 9.265 7.802 1.00 0.00 C ATOM 638 C GLY A 51 -6.331 9.479 6.373 1.00 0.00 C ATOM 639 O GLY A 51 -6.956 10.475 6.012 1.00 0.00 O ATOM 0 H GLY A 51 -7.259 7.763 8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.633 10.199 8.252 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.146 8.556 7.883 1.00 0.00 H new ATOM 643 N ALA A 52 -5.947 8.523 5.509 1.00 0.00 N ATOM 644 CA ALA A 52 -6.362 8.452 4.142 1.00 0.00 C ATOM 645 C ALA A 52 -6.749 7.058 3.784 1.00 0.00 C ATOM 646 O ALA A 52 -7.709 6.816 3.056 1.00 0.00 O ATOM 647 CB ALA A 52 -5.226 8.937 3.225 1.00 0.00 C ATOM 0 H ALA A 52 -5.319 7.765 5.775 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.231 9.096 4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.548 8.880 2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.975 9.969 3.471 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.349 8.306 3.368 1.00 0.00 H new ATOM 653 N ALA A 53 -6.010 6.056 4.294 1.00 0.00 N ATOM 654 CA ALA A 53 -6.128 4.687 3.896 1.00 0.00 C ATOM 655 C ALA A 53 -7.336 3.961 4.381 1.00 0.00 C ATOM 656 O ALA A 53 -7.883 3.128 3.662 1.00 0.00 O ATOM 657 CB ALA A 53 -4.853 3.957 4.351 1.00 0.00 C ATOM 0 H ALA A 53 -5.302 6.206 5.013 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.250 4.693 2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.912 2.908 4.062 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.984 4.415 3.880 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.759 4.030 5.434 1.00 0.00 H new ATOM 663 N GLU A 54 -7.860 4.271 5.581 1.00 0.00 N ATOM 664 CA GLU A 54 -9.127 3.782 6.031 1.00 0.00 C ATOM 665 C GLU A 54 -10.221 4.156 5.091 1.00 0.00 C ATOM 666 O GLU A 54 -11.083 3.354 4.739 1.00 0.00 O ATOM 667 CB GLU A 54 -9.484 4.366 7.408 1.00 0.00 C ATOM 668 CG GLU A 54 -10.832 3.917 7.975 1.00 0.00 C ATOM 669 CD GLU A 54 -11.139 4.578 9.311 1.00 0.00 C ATOM 670 OE1 GLU A 54 -11.127 5.837 9.377 1.00 0.00 O ATOM 671 OE2 GLU A 54 -11.467 3.845 10.282 1.00 0.00 O ATOM 0 H GLU A 54 -7.391 4.876 6.255 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.037 2.697 6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.701 4.092 8.115 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.482 5.454 7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.622 4.155 7.263 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.830 2.834 8.099 1.00 0.00 H new ATOM 678 N SER A 55 -10.138 5.412 4.615 1.00 0.00 N ATOM 679 CA SER A 55 -11.058 6.071 3.740 1.00 0.00 C ATOM 680 C SER A 55 -11.043 5.641 2.314 1.00 0.00 C ATOM 681 O SER A 55 -11.759 6.219 1.498 1.00 0.00 O ATOM 682 CB SER A 55 -10.880 7.598 3.789 1.00 0.00 C ATOM 683 OG SER A 55 -10.723 8.070 5.118 1.00 0.00 O ATOM 0 H SER A 55 -9.357 6.018 4.866 1.00 0.00 H new ATOM 0 HA SER A 55 -12.026 5.764 4.135 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.009 7.881 3.198 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.745 8.079 3.333 1.00 0.00 H new ATOM 0 HG SER A 55 -10.611 9.044 5.108 1.00 0.00 H new ATOM 689 N ASP A 56 -10.293 4.598 1.913 1.00 0.00 N ATOM 690 CA ASP A 56 -10.656 3.817 0.772 1.00 0.00 C ATOM 691 C ASP A 56 -11.852 3.007 1.138 1.00 0.00 C ATOM 692 O ASP A 56 -12.989 3.395 0.869 1.00 0.00 O ATOM 693 CB ASP A 56 -9.498 2.934 0.277 1.00 0.00 C ATOM 694 CG ASP A 56 -9.947 2.086 -0.905 1.00 0.00 C ATOM 695 OD1 ASP A 56 -10.306 2.662 -1.965 1.00 0.00 O ATOM 696 OD2 ASP A 56 -10.049 0.839 -0.752 1.00 0.00 O ATOM 0 H ASP A 56 -9.437 4.296 2.378 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.892 4.477 -0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.654 3.559 -0.015 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.152 2.289 1.085 1.00 0.00 H new ATOM 701 N GLY A 57 -11.621 1.860 1.800 1.00 0.00 N ATOM 702 CA GLY A 57 -12.663 1.077 2.388 1.00 0.00 C ATOM 703 C GLY A 57 -12.304 -0.369 2.388 1.00 0.00 C ATOM 704 O GLY A 57 -12.679 -1.132 3.278 1.00 0.00 O ATOM 0 H GLY A 57 -10.689 1.467 1.930 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.843 1.411 3.410 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.591 1.226 1.836 1.00 0.00 H new ATOM 708 N ARG A 58 -11.554 -0.798 1.359 1.00 0.00 N ATOM 709 CA ARG A 58 -11.249 -2.173 1.108 1.00 0.00 C ATOM 710 C ARG A 58 -10.083 -2.667 1.892 1.00 0.00 C ATOM 711 O ARG A 58 -9.883 -3.874 2.027 1.00 0.00 O ATOM 712 CB ARG A 58 -10.996 -2.325 -0.402 1.00 0.00 C ATOM 713 CG ARG A 58 -12.205 -2.000 -1.282 1.00 0.00 C ATOM 714 CD ARG A 58 -11.861 -1.848 -2.765 1.00 0.00 C ATOM 715 NE ARG A 58 -11.087 -0.584 -2.916 1.00 0.00 N ATOM 716 CZ ARG A 58 -10.815 -0.019 -4.129 1.00 0.00 C ATOM 717 NH1 ARG A 58 -11.184 -0.602 -5.307 1.00 0.00 N ATOM 718 NH2 ARG A 58 -10.164 1.179 -4.187 1.00 0.00 N ATOM 0 H ARG A 58 -11.143 -0.163 0.674 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.093 -2.783 1.429 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.169 -1.674 -0.687 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.680 -3.348 -0.604 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.948 -2.789 -1.169 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.664 -1.077 -0.928 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -11.276 -2.700 -3.113 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.768 -1.817 -3.368 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.745 -0.119 -2.075 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.682 -1.492 -5.301 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.962 -0.147 -6.193 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.883 1.649 -3.326 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.959 1.605 -5.091 1.00 0.00 H new ATOM 732 N ILE A 59 -9.271 -1.759 2.461 1.00 0.00 N ATOM 733 CA ILE A 59 -8.191 -2.042 3.355 1.00 0.00 C ATOM 734 C ILE A 59 -8.690 -2.265 4.741 1.00 0.00 C ATOM 735 O ILE A 59 -9.482 -1.480 5.260 1.00 0.00 O ATOM 736 CB ILE A 59 -7.210 -0.908 3.412 1.00 0.00 C ATOM 737 CG1 ILE A 59 -6.909 -0.338 2.016 1.00 0.00 C ATOM 738 CG2 ILE A 59 -5.920 -1.417 4.076 1.00 0.00 C ATOM 739 CD1 ILE A 59 -5.895 0.805 2.042 1.00 0.00 C ATOM 0 H ILE A 59 -9.377 -0.760 2.284 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.704 -2.939 2.972 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.642 -0.095 3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.531 -1.137 1.378 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.837 0.017 1.567 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.193 -0.607 4.127 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.143 -1.768 5.083 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.508 -2.238 3.489 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.725 1.164 1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.281 1.620 2.655 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.955 0.448 2.463 1.00 0.00 H new ATOM 751 N HIS A 60 -8.214 -3.338 5.397 1.00 0.00 N ATOM 752 CA HIS A 60 -8.461 -3.642 6.773 1.00 0.00 C ATOM 753 C HIS A 60 -7.180 -3.973 7.458 1.00 0.00 C ATOM 754 O HIS A 60 -6.090 -3.827 6.907 1.00 0.00 O ATOM 755 CB HIS A 60 -9.460 -4.807 6.873 1.00 0.00 C ATOM 756 CG HIS A 60 -10.327 -4.822 8.097 1.00 0.00 C ATOM 757 ND1 HIS A 60 -10.375 -4.003 9.181 1.00 0.00 N flip ATOM 758 CD2 HIS A 60 -11.365 -5.732 8.136 1.00 0.00 C flip ATOM 759 CE1 HIS A 60 -11.478 -4.402 9.908 1.00 0.00 C flip ATOM 760 NE2 HIS A 60 -12.040 -5.439 9.231 1.00 0.00 N flip ATOM 0 H HIS A 60 -7.623 -4.033 4.941 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.895 -2.773 7.268 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.105 -4.784 5.995 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.902 -5.743 6.835 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -11.578 -6.515 7.423 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.828 -3.973 10.836 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -12.881 -5.930 9.533 1.00 0.00 H new ATOM 768 N LYS A 61 -7.236 -4.430 8.721 1.00 0.00 N ATOM 769 CA LYS A 61 -6.075 -4.777 9.481 1.00 0.00 C ATOM 770 C LYS A 61 -5.685 -6.186 9.196 1.00 0.00 C ATOM 771 O LYS A 61 -6.414 -7.118 9.533 1.00 0.00 O ATOM 772 CB LYS A 61 -6.349 -4.610 10.986 1.00 0.00 C ATOM 773 CG LYS A 61 -6.603 -3.153 11.381 1.00 0.00 C ATOM 774 CD LYS A 61 -6.972 -2.931 12.849 1.00 0.00 C ATOM 775 CE LYS A 61 -8.372 -3.447 13.192 1.00 0.00 C ATOM 776 NZ LYS A 61 -8.751 -3.092 14.577 1.00 0.00 N ATOM 0 H LYS A 61 -8.111 -4.562 9.228 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.260 -4.111 9.195 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.213 -5.213 11.263 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.499 -4.993 11.551 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.709 -2.571 11.156 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.406 -2.759 10.758 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.240 -3.431 13.483 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.916 -1.866 13.076 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.097 -3.027 12.495 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.403 -4.530 13.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.704 -3.455 14.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.071 -3.513 15.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.744 -2.058 14.684 1.00 0.00 H new ATOM 790 N GLY A 62 -4.524 -6.395 8.552 1.00 0.00 N ATOM 791 CA GLY A 62 -4.056 -7.678 8.128 1.00 0.00 C ATOM 792 C GLY A 62 -3.967 -7.858 6.652 1.00 0.00 C ATOM 793 O GLY A 62 -3.755 -8.980 6.192 1.00 0.00 O ATOM 0 H GLY A 62 -3.883 -5.637 8.316 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.070 -7.850 8.560 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.719 -8.442 8.533 1.00 0.00 H new ATOM 797 N ASP A 63 -4.107 -6.777 5.865 1.00 0.00 N ATOM 798 CA ASP A 63 -3.972 -6.764 4.442 1.00 0.00 C ATOM 799 C ASP A 63 -2.555 -6.651 3.997 1.00 0.00 C ATOM 800 O ASP A 63 -1.661 -6.311 4.772 1.00 0.00 O ATOM 801 CB ASP A 63 -4.824 -5.618 3.871 1.00 0.00 C ATOM 802 CG ASP A 63 -6.238 -6.102 3.584 1.00 0.00 C ATOM 803 OD1 ASP A 63 -6.389 -7.063 2.784 1.00 0.00 O ATOM 804 OD2 ASP A 63 -7.230 -5.516 4.097 1.00 0.00 O ATOM 0 H ASP A 63 -4.328 -5.857 6.246 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.329 -7.720 4.059 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.853 -4.790 4.579 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.369 -5.239 2.956 1.00 0.00 H new ATOM 809 N ARG A 64 -2.283 -6.956 2.715 1.00 0.00 N ATOM 810 CA ARG A 64 -0.998 -7.057 2.094 1.00 0.00 C ATOM 811 C ARG A 64 -0.822 -6.034 1.026 1.00 0.00 C ATOM 812 O ARG A 64 -1.559 -5.982 0.043 1.00 0.00 O ATOM 813 CB ARG A 64 -0.812 -8.466 1.508 1.00 0.00 C ATOM 814 CG ARG A 64 0.602 -8.853 1.070 1.00 0.00 C ATOM 815 CD ARG A 64 0.922 -8.830 -0.426 1.00 0.00 C ATOM 816 NE ARG A 64 2.304 -9.377 -0.529 1.00 0.00 N ATOM 817 CZ ARG A 64 2.958 -9.675 -1.689 1.00 0.00 C ATOM 818 NH1 ARG A 64 2.365 -9.671 -2.920 1.00 0.00 N ATOM 819 NH2 ARG A 64 4.269 -10.049 -1.634 1.00 0.00 N ATOM 0 H ARG A 64 -3.035 -7.150 2.053 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.241 -6.874 2.857 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.147 -9.189 2.252 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.473 -8.565 0.647 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.302 -8.184 1.571 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.802 -9.859 1.439 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.214 -9.436 -0.991 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.866 -7.818 -0.827 1.00 0.00 H new ATOM 0 HE ARG A 64 2.805 -9.543 0.344 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.377 -9.435 -3.009 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.911 -9.904 -3.750 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.747 -10.103 -0.734 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.771 -10.275 -2.493 1.00 0.00 H new ATOM 833 N VAL A 65 0.209 -5.180 1.164 1.00 0.00 N ATOM 834 CA VAL A 65 0.615 -4.206 0.200 1.00 0.00 C ATOM 835 C VAL A 65 1.667 -4.821 -0.657 1.00 0.00 C ATOM 836 O VAL A 65 2.703 -5.268 -0.166 1.00 0.00 O ATOM 837 CB VAL A 65 1.188 -2.947 0.780 1.00 0.00 C ATOM 838 CG1 VAL A 65 0.956 -1.786 -0.202 1.00 0.00 C ATOM 839 CG2 VAL A 65 0.605 -2.635 2.168 1.00 0.00 C ATOM 0 H VAL A 65 0.793 -5.170 2.000 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.285 -3.921 -0.344 1.00 0.00 H new ATOM 0 HB VAL A 65 2.260 -3.086 0.924 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.371 -0.868 0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.446 -2.008 -1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.114 -1.658 -0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.048 -1.715 2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.475 -2.512 2.090 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.829 -3.456 2.849 1.00 0.00 H new ATOM 849 N LEU A 66 1.464 -4.885 -1.984 1.00 0.00 N ATOM 850 CA LEU A 66 2.459 -5.377 -2.888 1.00 0.00 C ATOM 851 C LEU A 66 3.218 -4.277 -3.547 1.00 0.00 C ATOM 852 O LEU A 66 4.433 -4.395 -3.697 1.00 0.00 O ATOM 853 CB LEU A 66 1.903 -6.405 -3.887 1.00 0.00 C ATOM 854 CG LEU A 66 0.591 -6.082 -4.623 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.586 -6.751 -6.007 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.624 -6.570 -3.816 1.00 0.00 C ATOM 0 H LEU A 66 0.599 -4.592 -2.437 1.00 0.00 H new ATOM 0 HA LEU A 66 3.181 -5.922 -2.280 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.670 -6.583 -4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.760 -7.343 -3.351 1.00 0.00 H new ATOM 0 HG LEU A 66 0.524 -5.000 -4.738 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.346 -6.517 -6.521 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.427 -6.380 -6.593 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.674 -7.831 -5.889 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.540 -6.330 -4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.558 -7.649 -3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.637 -6.077 -2.844 1.00 0.00 H new ATOM 868 N ALA A 67 2.573 -3.169 -3.950 1.00 0.00 N ATOM 869 CA ALA A 67 3.284 -2.148 -4.654 1.00 0.00 C ATOM 870 C ALA A 67 2.788 -0.770 -4.377 1.00 0.00 C ATOM 871 O ALA A 67 1.671 -0.566 -3.902 1.00 0.00 O ATOM 872 CB ALA A 67 3.260 -2.415 -6.169 1.00 0.00 C ATOM 0 H ALA A 67 1.583 -2.981 -3.794 1.00 0.00 H new ATOM 0 HA ALA A 67 4.308 -2.193 -4.283 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.807 -1.626 -6.686 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.728 -3.377 -6.376 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.228 -2.431 -6.519 1.00 0.00 H new ATOM 878 N VAL A 68 3.632 0.241 -4.651 1.00 0.00 N ATOM 879 CA VAL A 68 3.331 1.622 -4.443 1.00 0.00 C ATOM 880 C VAL A 68 3.684 2.412 -5.656 1.00 0.00 C ATOM 881 O VAL A 68 4.842 2.403 -6.072 1.00 0.00 O ATOM 882 CB VAL A 68 4.098 2.170 -3.276 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.925 3.694 -3.157 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.611 1.464 -2.000 1.00 0.00 C ATOM 0 H VAL A 68 4.565 0.088 -5.034 1.00 0.00 H new ATOM 0 HA VAL A 68 2.263 1.701 -4.241 1.00 0.00 H new ATOM 0 HB VAL A 68 5.162 1.982 -3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.493 4.059 -2.302 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.289 4.174 -4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.870 3.931 -3.019 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.158 1.850 -1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.545 1.650 -1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.784 0.392 -2.089 1.00 0.00 H new ATOM 894 N ASN A 69 2.735 3.105 -6.309 1.00 0.00 N ATOM 895 CA ASN A 69 2.929 3.753 -7.569 1.00 0.00 C ATOM 896 C ASN A 69 3.395 2.864 -8.670 1.00 0.00 C ATOM 897 O ASN A 69 4.034 3.299 -9.628 1.00 0.00 O ATOM 898 CB ASN A 69 3.831 4.996 -7.469 1.00 0.00 C ATOM 899 CG ASN A 69 3.338 5.973 -6.411 1.00 0.00 C ATOM 900 OD1 ASN A 69 2.221 5.923 -5.897 1.00 0.00 O ATOM 901 ND2 ASN A 69 4.215 6.958 -6.075 1.00 0.00 N ATOM 0 H ASN A 69 1.790 3.219 -5.942 1.00 0.00 H new ATOM 0 HA ASN A 69 1.923 4.072 -7.842 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.849 4.687 -7.232 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.867 5.497 -8.436 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.949 7.666 -5.390 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.138 6.989 -6.508 1.00 0.00 H new ATOM 908 N GLY A 70 3.103 1.555 -8.573 1.00 0.00 N ATOM 909 CA GLY A 70 3.611 0.533 -9.434 1.00 0.00 C ATOM 910 C GLY A 70 4.903 -0.064 -8.993 1.00 0.00 C ATOM 911 O GLY A 70 5.406 -0.998 -9.616 1.00 0.00 O ATOM 0 H GLY A 70 2.478 1.190 -7.854 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.867 -0.260 -9.513 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.740 0.949 -10.433 1.00 0.00 H new ATOM 915 N VAL A 71 5.491 0.438 -7.893 1.00 0.00 N ATOM 916 CA VAL A 71 6.780 0.056 -7.405 1.00 0.00 C ATOM 917 C VAL A 71 6.598 -1.021 -6.392 1.00 0.00 C ATOM 918 O VAL A 71 6.216 -0.794 -5.246 1.00 0.00 O ATOM 919 CB VAL A 71 7.611 1.155 -6.812 1.00 0.00 C ATOM 920 CG1 VAL A 71 9.043 0.649 -6.564 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.654 2.340 -7.791 1.00 0.00 C ATOM 0 H VAL A 71 5.043 1.148 -7.313 1.00 0.00 H new ATOM 0 HA VAL A 71 7.340 -0.274 -8.280 1.00 0.00 H new ATOM 0 HB VAL A 71 7.172 1.471 -5.866 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.643 1.451 -6.133 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.016 -0.195 -5.875 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.486 0.332 -7.508 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.257 3.142 -7.365 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.094 2.017 -8.734 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.641 2.702 -7.968 1.00 0.00 H new ATOM 931 N SER A 72 6.827 -2.274 -6.828 1.00 0.00 N ATOM 932 CA SER A 72 6.681 -3.461 -6.045 1.00 0.00 C ATOM 933 C SER A 72 7.718 -3.605 -4.986 1.00 0.00 C ATOM 934 O SER A 72 8.906 -3.367 -5.201 1.00 0.00 O ATOM 935 CB SER A 72 6.651 -4.720 -6.929 1.00 0.00 C ATOM 936 OG SER A 72 6.196 -5.864 -6.223 1.00 0.00 O ATOM 0 H SER A 72 7.131 -2.468 -7.782 1.00 0.00 H new ATOM 0 HA SER A 72 5.721 -3.357 -5.539 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.002 -4.543 -7.787 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.651 -4.911 -7.320 1.00 0.00 H new ATOM 0 HG SER A 72 6.192 -6.639 -6.823 1.00 0.00 H new ATOM 942 N LEU A 73 7.277 -4.025 -3.786 1.00 0.00 N ATOM 943 CA LEU A 73 8.048 -4.188 -2.592 1.00 0.00 C ATOM 944 C LEU A 73 8.822 -5.462 -2.585 1.00 0.00 C ATOM 945 O LEU A 73 8.796 -6.242 -1.635 1.00 0.00 O ATOM 946 CB LEU A 73 7.091 -4.134 -1.389 1.00 0.00 C ATOM 947 CG LEU A 73 6.529 -2.742 -1.057 1.00 0.00 C ATOM 948 CD1 LEU A 73 5.232 -2.862 -0.241 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.521 -1.912 -0.224 1.00 0.00 C ATOM 0 H LEU A 73 6.298 -4.271 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 73 8.781 -3.383 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.256 -4.808 -1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.615 -4.515 -0.512 1.00 0.00 H new ATOM 0 HG LEU A 73 6.344 -2.248 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.850 -1.866 -0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.489 -3.414 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.435 -3.391 0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.088 -0.935 -0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.732 -2.429 0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.447 -1.783 -0.784 1.00 0.00 H new ATOM 961 N GLU A 74 9.597 -5.711 -3.655 1.00 0.00 N ATOM 962 CA GLU A 74 10.468 -6.837 -3.793 1.00 0.00 C ATOM 963 C GLU A 74 11.727 -6.601 -3.033 1.00 0.00 C ATOM 964 O GLU A 74 12.453 -5.633 -3.255 1.00 0.00 O ATOM 965 CB GLU A 74 10.802 -7.149 -5.262 1.00 0.00 C ATOM 966 CG GLU A 74 9.573 -7.501 -6.103 1.00 0.00 C ATOM 967 CD GLU A 74 9.908 -7.900 -7.533 1.00 0.00 C ATOM 968 OE1 GLU A 74 11.107 -8.089 -7.870 1.00 0.00 O ATOM 969 OE2 GLU A 74 8.959 -8.044 -8.349 1.00 0.00 O ATOM 0 H GLU A 74 9.617 -5.094 -4.467 1.00 0.00 H new ATOM 0 HA GLU A 74 9.941 -7.701 -3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.301 -6.287 -5.704 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.508 -7.979 -5.298 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.036 -8.319 -5.623 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.899 -6.645 -6.122 1.00 0.00 H new ATOM 976 N GLY A 75 12.010 -7.463 -2.040 1.00 0.00 N ATOM 977 CA GLY A 75 13.129 -7.322 -1.161 1.00 0.00 C ATOM 978 C GLY A 75 13.015 -6.215 -0.171 1.00 0.00 C ATOM 979 O GLY A 75 14.008 -5.844 0.455 1.00 0.00 O ATOM 0 H GLY A 75 11.441 -8.286 -1.842 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.269 -8.259 -0.622 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.025 -7.163 -1.761 1.00 0.00 H new ATOM 983 N ALA A 76 11.815 -5.642 0.023 1.00 0.00 N ATOM 984 CA ALA A 76 11.619 -4.540 0.913 1.00 0.00 C ATOM 985 C ALA A 76 11.371 -4.982 2.314 1.00 0.00 C ATOM 986 O ALA A 76 10.669 -5.952 2.593 1.00 0.00 O ATOM 987 CB ALA A 76 10.524 -3.586 0.407 1.00 0.00 C ATOM 0 H ALA A 76 10.964 -5.950 -0.447 1.00 0.00 H new ATOM 0 HA ALA A 76 12.552 -3.977 0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.405 -2.762 1.111 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.808 -3.192 -0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.582 -4.127 0.320 1.00 0.00 H new ATOM 993 N THR A 77 11.981 -4.270 3.277 1.00 0.00 N ATOM 994 CA THR A 77 11.997 -4.564 4.677 1.00 0.00 C ATOM 995 C THR A 77 11.011 -3.699 5.383 1.00 0.00 C ATOM 996 O THR A 77 10.170 -3.055 4.757 1.00 0.00 O ATOM 997 CB THR A 77 13.346 -4.305 5.280 1.00 0.00 C ATOM 998 OG1 THR A 77 13.760 -2.953 5.163 1.00 0.00 O ATOM 999 CG2 THR A 77 14.414 -5.113 4.524 1.00 0.00 C ATOM 0 H THR A 77 12.504 -3.422 3.059 1.00 0.00 H new ATOM 0 HA THR A 77 11.748 -5.619 4.790 1.00 0.00 H new ATOM 0 HB THR A 77 13.252 -4.579 6.331 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.643 -2.844 5.574 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.393 -4.923 4.964 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.184 -6.176 4.595 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.423 -4.813 3.476 1.00 0.00 H new ATOM 1007 N HIS A 78 11.111 -3.556 6.717 1.00 0.00 N ATOM 1008 CA HIS A 78 10.432 -2.524 7.438 1.00 0.00 C ATOM 1009 C HIS A 78 10.834 -1.164 6.978 1.00 0.00 C ATOM 1010 O HIS A 78 9.983 -0.344 6.638 1.00 0.00 O ATOM 1011 CB HIS A 78 10.668 -2.584 8.956 1.00 0.00 C ATOM 1012 CG HIS A 78 10.132 -1.416 9.731 1.00 0.00 C ATOM 1013 ND1 HIS A 78 10.752 -0.931 10.852 1.00 0.00 N ATOM 1014 CD2 HIS A 78 9.056 -0.614 9.508 1.00 0.00 C ATOM 1015 CE1 HIS A 78 10.085 0.119 11.295 1.00 0.00 C ATOM 1016 NE2 HIS A 78 9.054 0.332 10.500 1.00 0.00 N ATOM 0 H HIS A 78 11.674 -4.169 7.306 1.00 0.00 H new ATOM 0 HA HIS A 78 9.376 -2.702 7.233 1.00 0.00 H new ATOM 0 HB2 HIS A 78 10.213 -3.496 9.343 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.740 -2.660 9.139 1.00 0.00 H new ATOM 0 HD1 HIS A 78 11.594 -1.319 11.277 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.341 -0.705 8.704 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.341 0.706 12.164 1.00 0.00 H new ATOM 1025 N LYS A 79 12.144 -0.862 6.968 1.00 0.00 N ATOM 1026 CA LYS A 79 12.644 0.434 6.626 1.00 0.00 C ATOM 1027 C LYS A 79 12.514 0.740 5.174 1.00 0.00 C ATOM 1028 O LYS A 79 12.089 1.835 4.808 1.00 0.00 O ATOM 1029 CB LYS A 79 14.097 0.617 7.094 1.00 0.00 C ATOM 1030 CG LYS A 79 14.223 0.466 8.611 1.00 0.00 C ATOM 1031 CD LYS A 79 15.526 1.048 9.160 1.00 0.00 C ATOM 1032 CE LYS A 79 15.601 0.951 10.686 1.00 0.00 C ATOM 1033 NZ LYS A 79 16.767 1.711 11.190 1.00 0.00 N ATOM 0 H LYS A 79 12.874 -1.534 7.203 1.00 0.00 H new ATOM 0 HA LYS A 79 12.018 1.150 7.157 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.734 -0.117 6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.455 1.602 6.795 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.379 0.961 9.092 1.00 0.00 H new ATOM 0 HG3 LYS A 79 14.164 -0.591 8.872 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.372 0.519 8.721 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.612 2.092 8.859 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.684 1.342 11.128 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.680 -0.093 10.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.807 1.638 12.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.640 1.320 10.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.674 2.710 10.917 1.00 0.00 H new ATOM 1047 N GLN A 80 12.793 -0.237 4.292 1.00 0.00 N ATOM 1048 CA GLN A 80 12.610 -0.086 2.882 1.00 0.00 C ATOM 1049 C GLN A 80 11.186 0.112 2.493 1.00 0.00 C ATOM 1050 O GLN A 80 10.881 0.948 1.643 1.00 0.00 O ATOM 1051 CB GLN A 80 13.238 -1.287 2.156 1.00 0.00 C ATOM 1052 CG GLN A 80 14.040 -0.937 0.902 1.00 0.00 C ATOM 1053 CD GLN A 80 13.172 -0.449 -0.249 1.00 0.00 C ATOM 1054 OE1 GLN A 80 12.393 -1.212 -0.820 1.00 0.00 O ATOM 1055 NE2 GLN A 80 13.310 0.851 -0.625 1.00 0.00 N ATOM 0 H GLN A 80 13.153 -1.151 4.565 1.00 0.00 H new ATOM 0 HA GLN A 80 13.119 0.828 2.576 1.00 0.00 H new ATOM 0 HB2 GLN A 80 13.892 -1.812 2.852 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.444 -1.981 1.879 1.00 0.00 H new ATOM 0 HG2 GLN A 80 14.771 -0.167 1.149 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.599 -1.815 0.580 1.00 0.00 H new ATOM 0 HE21 GLN A 80 13.964 1.458 -0.131 1.00 0.00 H new ATOM 0 HE22 GLN A 80 12.759 1.219 -1.401 1.00 0.00 H new ATOM 1064 N ALA A 81 10.225 -0.603 3.105 1.00 0.00 N ATOM 1065 CA ALA A 81 8.836 -0.361 2.868 1.00 0.00 C ATOM 1066 C ALA A 81 8.354 0.975 3.318 1.00 0.00 C ATOM 1067 O ALA A 81 7.614 1.630 2.585 1.00 0.00 O ATOM 1068 CB ALA A 81 7.958 -1.434 3.533 1.00 0.00 C ATOM 0 H ALA A 81 10.412 -1.354 3.769 1.00 0.00 H new ATOM 0 HA ALA A 81 8.743 -0.397 1.783 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.908 -1.220 3.333 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.212 -2.414 3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.131 -1.430 4.609 1.00 0.00 H new ATOM 1074 N VAL A 82 8.783 1.463 4.495 1.00 0.00 N ATOM 1075 CA VAL A 82 8.491 2.791 4.940 1.00 0.00 C ATOM 1076 C VAL A 82 8.930 3.803 3.939 1.00 0.00 C ATOM 1077 O VAL A 82 8.108 4.593 3.478 1.00 0.00 O ATOM 1078 CB VAL A 82 9.060 3.154 6.279 1.00 0.00 C ATOM 1079 CG1 VAL A 82 8.929 4.651 6.604 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.306 2.362 7.360 1.00 0.00 C ATOM 0 H VAL A 82 9.345 0.923 5.153 1.00 0.00 H new ATOM 0 HA VAL A 82 7.407 2.799 5.051 1.00 0.00 H new ATOM 0 HB VAL A 82 10.123 2.913 6.255 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.359 4.849 7.586 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.459 5.234 5.851 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.876 4.932 6.606 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.707 2.614 8.342 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.247 2.616 7.325 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.429 1.294 7.181 1.00 0.00 H new ATOM 1090 N GLU A 83 10.200 3.798 3.497 1.00 0.00 N ATOM 1091 CA GLU A 83 10.721 4.684 2.502 1.00 0.00 C ATOM 1092 C GLU A 83 9.976 4.697 1.213 1.00 0.00 C ATOM 1093 O GLU A 83 9.743 5.743 0.609 1.00 0.00 O ATOM 1094 CB GLU A 83 12.204 4.331 2.299 1.00 0.00 C ATOM 1095 CG GLU A 83 13.007 5.534 1.801 1.00 0.00 C ATOM 1096 CD GLU A 83 14.497 5.249 1.683 1.00 0.00 C ATOM 1097 OE1 GLU A 83 15.194 5.097 2.722 1.00 0.00 O ATOM 1098 OE2 GLU A 83 14.987 5.150 0.527 1.00 0.00 O ATOM 0 H GLU A 83 10.898 3.144 3.851 1.00 0.00 H new ATOM 0 HA GLU A 83 10.600 5.703 2.869 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.626 3.975 3.239 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.289 3.514 1.582 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.624 5.842 0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.856 6.371 2.482 1.00 0.00 H new ATOM 1105 N THR A 84 9.506 3.517 0.770 1.00 0.00 N ATOM 1106 CA THR A 84 8.705 3.270 -0.389 1.00 0.00 C ATOM 1107 C THR A 84 7.352 3.894 -0.325 1.00 0.00 C ATOM 1108 O THR A 84 6.865 4.411 -1.328 1.00 0.00 O ATOM 1109 CB THR A 84 8.638 1.798 -0.667 1.00 0.00 C ATOM 1110 OG1 THR A 84 9.948 1.286 -0.861 1.00 0.00 O ATOM 1111 CG2 THR A 84 7.877 1.374 -1.935 1.00 0.00 C ATOM 0 H THR A 84 9.708 2.654 1.274 1.00 0.00 H new ATOM 0 HA THR A 84 9.198 3.761 -1.228 1.00 0.00 H new ATOM 0 HB THR A 84 8.108 1.410 0.203 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.336 1.042 0.005 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.899 0.288 -2.026 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.843 1.712 -1.869 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.350 1.821 -2.810 1.00 0.00 H new ATOM 1119 N LEU A 85 6.696 3.941 0.849 1.00 0.00 N ATOM 1120 CA LEU A 85 5.427 4.557 1.086 1.00 0.00 C ATOM 1121 C LEU A 85 5.483 5.976 1.534 1.00 0.00 C ATOM 1122 O LEU A 85 4.549 6.754 1.339 1.00 0.00 O ATOM 1123 CB LEU A 85 4.739 3.775 2.216 1.00 0.00 C ATOM 1124 CG LEU A 85 4.262 2.370 1.809 1.00 0.00 C ATOM 1125 CD1 LEU A 85 4.273 1.379 2.984 1.00 0.00 C ATOM 1126 CD2 LEU A 85 2.844 2.445 1.219 1.00 0.00 C ATOM 0 H LEU A 85 7.082 3.517 1.693 1.00 0.00 H new ATOM 0 HA LEU A 85 4.903 4.542 0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.431 3.683 3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.883 4.349 2.571 1.00 0.00 H new ATOM 0 HG LEU A 85 4.964 2.002 1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.927 0.404 2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.287 1.288 3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.612 1.741 3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.515 1.446 0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.161 2.853 1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.849 3.090 0.340 1.00 0.00 H new ATOM 1138 N ARG A 86 6.581 6.386 2.193 1.00 0.00 N ATOM 1139 CA ARG A 86 6.799 7.683 2.756 1.00 0.00 C ATOM 1140 C ARG A 86 7.307 8.661 1.754 1.00 0.00 C ATOM 1141 O ARG A 86 6.728 9.732 1.578 1.00 0.00 O ATOM 1142 CB ARG A 86 7.723 7.519 3.975 1.00 0.00 C ATOM 1143 CG ARG A 86 8.109 8.805 4.707 1.00 0.00 C ATOM 1144 CD ARG A 86 9.571 9.090 4.361 1.00 0.00 C ATOM 1145 NE ARG A 86 10.020 10.373 4.974 1.00 0.00 N ATOM 1146 CZ ARG A 86 11.319 10.782 4.879 1.00 0.00 C ATOM 1147 NH1 ARG A 86 12.318 9.937 4.490 1.00 0.00 N ATOM 1148 NH2 ARG A 86 11.671 12.066 5.183 1.00 0.00 N ATOM 0 H ARG A 86 7.375 5.764 2.343 1.00 0.00 H new ATOM 0 HA ARG A 86 5.852 8.111 3.085 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.236 6.852 4.687 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.637 7.023 3.648 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.470 9.632 4.397 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.982 8.690 5.783 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.199 8.273 4.716 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.691 9.137 3.279 1.00 0.00 H new ATOM 0 HE ARG A 86 9.346 10.954 5.472 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.104 8.967 4.260 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.278 10.276 4.430 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.960 12.732 5.485 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.645 12.359 5.108 1.00 0.00 H new ATOM 1162 N ASN A 87 8.394 8.339 1.029 1.00 0.00 N ATOM 1163 CA ASN A 87 9.009 9.251 0.115 1.00 0.00 C ATOM 1164 C ASN A 87 8.477 9.055 -1.262 1.00 0.00 C ATOM 1165 O ASN A 87 9.189 8.659 -2.184 1.00 0.00 O ATOM 1166 CB ASN A 87 10.540 9.115 0.163 1.00 0.00 C ATOM 1167 CG ASN A 87 11.215 10.289 -0.532 1.00 0.00 C ATOM 1168 OD1 ASN A 87 10.632 11.361 -0.683 1.00 0.00 O ATOM 1169 ND2 ASN A 87 12.496 10.094 -0.945 1.00 0.00 N ATOM 0 H ASN A 87 8.854 7.430 1.079 1.00 0.00 H new ATOM 0 HA ASN A 87 8.762 10.269 0.417 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.871 9.063 1.200 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.841 8.183 -0.315 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.007 10.852 -1.398 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.946 9.190 -0.802 1.00 0.00 H new ATOM 1176 N THR A 88 7.170 9.306 -1.455 1.00 0.00 N ATOM 1177 CA THR A 88 6.496 9.223 -2.713 1.00 0.00 C ATOM 1178 C THR A 88 6.398 10.554 -3.378 1.00 0.00 C ATOM 1179 O THR A 88 7.397 11.256 -3.523 1.00 0.00 O ATOM 1180 CB THR A 88 5.180 8.526 -2.541 1.00 0.00 C ATOM 1181 OG1 THR A 88 4.304 9.223 -1.666 1.00 0.00 O ATOM 1182 CG2 THR A 88 5.475 7.165 -1.889 1.00 0.00 C ATOM 0 H THR A 88 6.551 9.581 -0.692 1.00 0.00 H new ATOM 0 HA THR A 88 7.086 8.616 -3.399 1.00 0.00 H new ATOM 0 HB THR A 88 4.702 8.452 -3.518 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.428 9.325 -2.093 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.542 6.621 -1.744 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.135 6.587 -2.536 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.957 7.321 -0.924 1.00 0.00 H new ATOM 1190 N GLY A 89 5.203 10.972 -3.833 1.00 0.00 N ATOM 1191 CA GLY A 89 5.007 12.219 -4.505 1.00 0.00 C ATOM 1192 C GLY A 89 3.609 12.685 -4.280 1.00 0.00 C ATOM 1193 O GLY A 89 2.842 12.878 -5.222 1.00 0.00 O ATOM 0 H GLY A 89 4.348 10.426 -3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.714 12.961 -4.133 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.197 12.104 -5.572 1.00 0.00 H new ATOM 1197 N GLN A 90 3.243 12.834 -2.994 1.00 0.00 N ATOM 1198 CA GLN A 90 1.951 13.080 -2.433 1.00 0.00 C ATOM 1199 C GLN A 90 0.965 11.984 -2.650 1.00 0.00 C ATOM 1200 O GLN A 90 0.389 11.450 -1.701 1.00 0.00 O ATOM 1201 CB GLN A 90 1.397 14.461 -2.821 1.00 0.00 C ATOM 1202 CG GLN A 90 0.103 14.832 -2.095 1.00 0.00 C ATOM 1203 CD GLN A 90 -0.356 16.246 -2.420 1.00 0.00 C ATOM 1204 OE1 GLN A 90 -0.172 16.767 -3.519 1.00 0.00 O ATOM 1205 NE2 GLN A 90 -0.984 16.914 -1.416 1.00 0.00 N ATOM 0 H GLN A 90 3.946 12.773 -2.258 1.00 0.00 H new ATOM 0 HA GLN A 90 2.112 13.093 -1.355 1.00 0.00 H new ATOM 0 HB2 GLN A 90 2.152 15.218 -2.609 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.218 14.482 -3.896 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.681 14.126 -2.370 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.253 14.739 -1.019 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.125 16.462 -0.513 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.314 17.868 -1.566 1.00 0.00 H new ATOM 1214 N VAL A 91 0.751 11.578 -3.914 1.00 0.00 N ATOM 1215 CA VAL A 91 -0.087 10.475 -4.267 1.00 0.00 C ATOM 1216 C VAL A 91 0.646 9.192 -4.077 1.00 0.00 C ATOM 1217 O VAL A 91 1.725 8.959 -4.620 1.00 0.00 O ATOM 1218 CB VAL A 91 -0.665 10.525 -5.650 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.446 9.244 -5.992 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -1.592 11.749 -5.734 1.00 0.00 C ATOM 0 H VAL A 91 1.177 12.035 -4.720 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.940 10.544 -3.592 1.00 0.00 H new ATOM 0 HB VAL A 91 0.147 10.603 -6.373 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.848 9.322 -7.002 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.779 8.384 -5.932 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.265 9.118 -5.284 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.026 11.809 -6.732 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.389 11.653 -4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.019 12.654 -5.533 1.00 0.00 H new ATOM 1230 N VAL A 92 0.032 8.299 -3.280 1.00 0.00 N ATOM 1231 CA VAL A 92 0.410 6.928 -3.131 1.00 0.00 C ATOM 1232 C VAL A 92 -0.671 6.115 -3.755 1.00 0.00 C ATOM 1233 O VAL A 92 -1.766 5.965 -3.213 1.00 0.00 O ATOM 1234 CB VAL A 92 0.560 6.556 -1.686 1.00 0.00 C ATOM 1235 CG1 VAL A 92 0.905 5.072 -1.476 1.00 0.00 C ATOM 1236 CG2 VAL A 92 1.712 7.401 -1.114 1.00 0.00 C ATOM 0 H VAL A 92 -0.774 8.549 -2.707 1.00 0.00 H new ATOM 0 HA VAL A 92 1.374 6.749 -3.608 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.393 6.739 -1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.000 4.868 -0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.113 4.451 -1.895 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.847 4.843 -1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.853 7.159 -0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.629 7.184 -1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.471 8.459 -1.214 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.400 5.536 -4.938 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.223 4.514 -5.507 1.00 0.00 C ATOM 1248 C HIS A 93 -0.931 3.222 -4.825 1.00 0.00 C ATOM 1249 O HIS A 93 0.089 2.595 -5.107 1.00 0.00 O ATOM 1250 CB HIS A 93 -1.044 4.345 -7.025 1.00 0.00 C ATOM 1251 CG HIS A 93 -1.251 5.594 -7.830 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -0.218 6.493 -7.994 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -2.339 5.983 -8.546 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -0.695 7.420 -8.804 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -1.980 7.162 -9.168 1.00 0.00 N ATOM 0 H HIS A 93 0.407 5.782 -5.511 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.258 4.820 -5.354 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -0.039 3.969 -7.218 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -1.742 3.585 -7.376 1.00 0.00 H new ATOM 0 HD1 HIS A 93 0.713 6.451 -7.579 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -3.289 5.474 -8.614 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -0.133 8.280 -9.137 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.785 2.757 -3.896 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.521 1.558 -3.161 1.00 0.00 C ATOM 1265 C LEU A 94 -1.986 0.366 -3.924 1.00 0.00 C ATOM 1266 O LEU A 94 -3.178 0.205 -4.177 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.151 1.420 -1.766 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.581 2.371 -0.700 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -2.616 2.598 0.415 1.00 0.00 C ATOM 1270 CD2 LEU A 94 -0.234 1.855 -0.169 1.00 0.00 C ATOM 0 H LEU A 94 -2.664 3.214 -3.652 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.442 1.620 -3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.224 1.593 -1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.019 0.394 -1.424 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.380 3.341 -1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.202 3.273 1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.518 3.038 -0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.863 1.645 0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.149 2.545 0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.372 0.870 0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.478 1.784 -0.991 1.00 0.00 H new ATOM 1282 N LEU A 95 -1.062 -0.544 -4.284 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.423 -1.822 -4.815 1.00 0.00 C ATOM 1284 C LEU A 95 -1.565 -2.786 -3.689 1.00 0.00 C ATOM 1285 O LEU A 95 -0.581 -3.283 -3.142 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.364 -2.297 -5.825 1.00 0.00 C ATOM 1287 CG LEU A 95 -0.972 -2.849 -7.125 1.00 0.00 C ATOM 1288 CD1 LEU A 95 0.151 -3.382 -8.031 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -2.040 -3.926 -6.868 1.00 0.00 C ATOM 0 H LEU A 95 -0.056 -0.392 -4.206 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.373 -1.752 -5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.298 -1.465 -6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.250 -3.069 -5.362 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.485 -2.030 -7.629 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.280 -3.773 -8.953 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.842 -2.573 -8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.688 -4.178 -7.515 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.436 -4.281 -7.820 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.593 -4.760 -6.327 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.850 -3.501 -6.274 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.825 -3.047 -3.297 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.198 -3.929 -2.235 1.00 0.00 C ATOM 1303 C LEU A 96 -3.697 -5.217 -2.794 1.00 0.00 C ATOM 1304 O LEU A 96 -4.269 -5.264 -3.881 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.294 -3.296 -1.362 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.798 -2.099 -0.534 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.624 -0.835 -0.824 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -3.807 -2.433 0.967 1.00 0.00 C ATOM 0 H LEU A 96 -3.631 -2.616 -3.749 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.317 -4.113 -1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.115 -2.971 -2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.695 -4.054 -0.688 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.769 -1.893 -0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.247 -0.008 -0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.542 -0.582 -1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.669 -1.018 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.452 -1.572 1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.822 -2.679 1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.153 -3.285 1.154 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.478 -6.315 -2.049 1.00 0.00 N ATOM 1321 CA GLU A 97 -3.967 -7.636 -2.297 1.00 0.00 C ATOM 1322 C GLU A 97 -5.292 -7.758 -1.627 1.00 0.00 C ATOM 1323 O GLU A 97 -5.851 -6.752 -1.195 1.00 0.00 O ATOM 1324 CB GLU A 97 -2.928 -8.605 -1.707 1.00 0.00 C ATOM 1325 CG GLU A 97 -2.506 -9.799 -2.566 1.00 0.00 C ATOM 1326 CD GLU A 97 -3.433 -11.002 -2.475 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -4.579 -10.902 -2.992 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -2.987 -12.082 -2.003 1.00 0.00 O ATOM 0 H GLU A 97 -2.911 -6.273 -1.202 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.101 -7.859 -3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.033 -8.032 -1.465 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.323 -8.990 -0.767 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.448 -9.479 -3.606 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.503 -10.106 -2.270 1.00 0.00 H new ATOM 1335 N LYS A 98 -5.849 -8.963 -1.412 1.00 0.00 N ATOM 1336 CA LYS A 98 -6.857 -9.122 -0.412 1.00 0.00 C ATOM 1337 C LYS A 98 -6.481 -10.136 0.613 1.00 0.00 C ATOM 1338 O LYS A 98 -6.521 -11.342 0.375 1.00 0.00 O ATOM 1339 CB LYS A 98 -8.242 -9.387 -1.026 1.00 0.00 C ATOM 1340 CG LYS A 98 -9.438 -9.243 -0.084 1.00 0.00 C ATOM 1341 CD LYS A 98 -9.586 -7.870 0.577 1.00 0.00 C ATOM 1342 CE LYS A 98 -9.388 -7.879 2.094 1.00 0.00 C ATOM 1343 NZ LYS A 98 -9.329 -6.518 2.673 1.00 0.00 N ATOM 0 H LYS A 98 -5.607 -9.813 -1.921 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.931 -8.171 0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.382 -8.704 -1.864 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.248 -10.397 -1.435 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.348 -9.459 -0.643 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.357 -9.998 0.698 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.864 -7.185 0.132 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.578 -7.477 0.354 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.204 -8.432 2.559 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.467 -8.411 2.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.597 -6.486 3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.097 -5.833 1.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.251 -6.277 3.089 1.00 0.00 H new ATOM 1357 N GLY A 99 -6.123 -9.696 1.832 1.00 0.00 N ATOM 1358 CA GLY A 99 -5.750 -10.548 2.918 1.00 0.00 C ATOM 1359 C GLY A 99 -6.931 -11.036 3.684 1.00 0.00 C ATOM 1360 O GLY A 99 -7.126 -10.703 4.851 1.00 0.00 O ATOM 0 H GLY A 99 -6.092 -8.705 2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.192 -11.401 2.533 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.083 -10.007 3.589 1.00 0.00 H new ATOM 1364 N GLN A 100 -7.763 -11.868 3.032 1.00 0.00 N ATOM 1365 CA GLN A 100 -8.901 -12.520 3.602 1.00 0.00 C ATOM 1366 C GLN A 100 -9.032 -13.870 2.987 1.00 0.00 C ATOM 1367 O GLN A 100 -8.342 -14.206 2.026 1.00 0.00 O ATOM 1368 CB GLN A 100 -10.190 -11.702 3.409 1.00 0.00 C ATOM 1369 CG GLN A 100 -10.501 -10.758 4.572 1.00 0.00 C ATOM 1370 CD GLN A 100 -11.014 -11.529 5.780 1.00 0.00 C ATOM 1371 OE1 GLN A 100 -11.162 -12.749 5.792 1.00 0.00 O ATOM 1372 NE2 GLN A 100 -11.345 -10.767 6.857 1.00 0.00 N ATOM 0 H GLN A 100 -7.632 -12.099 2.047 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.752 -12.613 4.678 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -10.105 -11.119 2.492 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -11.027 -12.387 3.275 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.603 -10.204 4.845 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -11.246 -10.025 4.261 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.214 -9.756 6.826 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.724 -11.207 7.696 1.00 0.00 H new ATOM 1381 N VAL A 101 -9.901 -14.724 3.557 1.00 0.00 N ATOM 1382 CA VAL A 101 -10.065 -16.098 3.197 1.00 0.00 C ATOM 1383 C VAL A 101 -10.898 -16.279 1.975 1.00 0.00 C ATOM 1384 O VAL A 101 -11.594 -15.346 1.578 1.00 0.00 O ATOM 1385 CB VAL A 101 -10.629 -16.886 4.341 1.00 0.00 C ATOM 1386 CG1 VAL A 101 -9.627 -16.870 5.509 1.00 0.00 C ATOM 1387 CG2 VAL A 101 -11.998 -16.347 4.790 1.00 0.00 C ATOM 0 H VAL A 101 -10.524 -14.438 4.312 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.071 -16.478 2.961 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.788 -17.912 4.008 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -10.032 -17.442 6.344 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.686 -17.315 5.187 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -9.452 -15.841 5.825 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -12.370 -16.947 5.621 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -11.894 -15.310 5.109 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -12.701 -16.402 3.959 1.00 0.00 H new ATOM 1397 N PRO A 102 -10.929 -17.417 1.349 1.00 0.00 N ATOM 1398 CA PRO A 102 -12.035 -17.862 0.553 1.00 0.00 C ATOM 1399 C PRO A 102 -13.161 -18.310 1.421 1.00 0.00 C ATOM 1400 O PRO A 102 -14.209 -17.614 1.498 1.00 0.00 O ATOM 1401 CB PRO A 102 -11.490 -19.016 -0.286 1.00 0.00 C ATOM 1402 CG PRO A 102 -9.963 -18.960 -0.120 1.00 0.00 C ATOM 1403 CD PRO A 102 -9.813 -18.349 1.282 1.00 0.00 C ATOM 1404 OXT PRO A 102 -13.065 -19.387 2.066 1.00 0.00 O ATOM 0 HA PRO A 102 -12.433 -17.065 -0.075 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.887 -19.972 0.056 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -11.775 -18.909 -1.333 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -9.510 -19.949 -0.184 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.492 -18.343 -0.886 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.872 -19.108 2.062 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.855 -17.843 1.402 1.00 0.00 H new TER 1412 PRO A 102 ATOM 1413 N TYR B 205 12.676 -2.241 15.632 1.00 0.00 N ATOM 1414 CA TYR B 205 11.390 -1.623 15.551 1.00 0.00 C ATOM 1415 C TYR B 205 10.625 -2.080 14.356 1.00 0.00 C ATOM 1416 O TYR B 205 11.173 -2.454 13.320 1.00 0.00 O ATOM 1417 CB TYR B 205 11.462 -0.086 15.527 1.00 0.00 C ATOM 1418 CG TYR B 205 11.798 0.475 16.865 1.00 0.00 C ATOM 1419 CD1 TYR B 205 10.998 0.190 17.947 1.00 0.00 C ATOM 1420 CD2 TYR B 205 12.859 1.334 17.024 1.00 0.00 C ATOM 1421 CE1 TYR B 205 11.261 0.745 19.177 1.00 0.00 C ATOM 1422 CE2 TYR B 205 13.123 1.903 18.248 1.00 0.00 C ATOM 1423 CZ TYR B 205 12.319 1.611 19.325 1.00 0.00 C ATOM 1424 OH TYR B 205 12.544 2.246 20.565 1.00 0.00 O ATOM 0 HA TYR B 205 10.873 -1.933 16.459 1.00 0.00 H new ATOM 0 HB2 TYR B 205 12.211 0.231 14.802 1.00 0.00 H new ATOM 0 HB3 TYR B 205 10.506 0.317 15.194 1.00 0.00 H new ATOM 0 HD1 TYR B 205 10.156 -0.476 17.829 1.00 0.00 H new ATOM 0 HD2 TYR B 205 13.492 1.564 16.180 1.00 0.00 H new ATOM 0 HE1 TYR B 205 10.638 0.501 20.025 1.00 0.00 H new ATOM 0 HE2 TYR B 205 13.959 2.577 18.363 1.00 0.00 H new ATOM 0 HH TYR B 205 13.333 2.824 20.498 1.00 0.00 H new ATOM 1434 N LEU B 206 9.285 -2.063 14.473 1.00 0.00 N ATOM 1435 CA LEU B 206 8.367 -2.293 13.400 1.00 0.00 C ATOM 1436 C LEU B 206 7.469 -1.107 13.330 1.00 0.00 C ATOM 1437 O LEU B 206 7.898 0.010 13.617 1.00 0.00 O ATOM 1438 CB LEU B 206 7.622 -3.614 13.656 1.00 0.00 C ATOM 1439 CG LEU B 206 6.863 -4.280 12.496 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.728 -4.410 11.231 1.00 0.00 C ATOM 1441 CD2 LEU B 206 6.415 -5.676 12.961 1.00 0.00 C ATOM 0 H LEU B 206 8.818 -1.879 15.361 1.00 0.00 H new ATOM 0 HA LEU B 206 8.862 -2.402 12.435 1.00 0.00 H new ATOM 0 HB2 LEU B 206 8.349 -4.335 14.030 1.00 0.00 H new ATOM 0 HB3 LEU B 206 6.906 -3.438 14.459 1.00 0.00 H new ATOM 0 HG LEU B 206 6.009 -3.655 12.235 1.00 0.00 H new ATOM 0 HD11 LEU B 206 7.148 -4.886 10.441 1.00 0.00 H new ATOM 0 HD12 LEU B 206 8.044 -3.420 10.903 1.00 0.00 H new ATOM 0 HD13 LEU B 206 8.606 -5.016 11.452 1.00 0.00 H new ATOM 0 HD21 LEU B 206 5.873 -6.171 12.155 1.00 0.00 H new ATOM 0 HD22 LEU B 206 7.290 -6.269 13.228 1.00 0.00 H new ATOM 0 HD23 LEU B 206 5.764 -5.579 13.830 1.00 0.00 H new ATOM 1453 N VAL B 207 6.201 -1.323 12.940 1.00 0.00 N ATOM 1454 CA VAL B 207 5.016 -0.529 13.043 1.00 0.00 C ATOM 1455 C VAL B 207 5.156 0.951 13.134 1.00 0.00 C ATOM 1456 O VAL B 207 5.490 1.559 14.151 1.00 0.00 O ATOM 1457 CB VAL B 207 4.058 -1.193 13.986 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.098 -0.247 14.727 1.00 0.00 C ATOM 1459 CG2 VAL B 207 3.285 -2.286 13.230 1.00 0.00 C ATOM 0 H VAL B 207 5.978 -2.204 12.476 1.00 0.00 H new ATOM 0 HA VAL B 207 4.561 -0.522 12.052 1.00 0.00 H new ATOM 0 HB VAL B 207 4.665 -1.625 14.781 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.449 -0.828 15.382 1.00 0.00 H new ATOM 0 HG12 VAL B 207 3.673 0.463 15.322 1.00 0.00 H new ATOM 0 HG13 VAL B 207 2.490 0.295 14.003 1.00 0.00 H new ATOM 0 HG21 VAL B 207 2.586 -2.774 13.910 1.00 0.00 H new ATOM 0 HG22 VAL B 207 2.734 -1.837 12.404 1.00 0.00 H new ATOM 0 HG23 VAL B 207 3.986 -3.024 12.840 1.00 0.00 H new ATOM 1469 N THR B 208 4.920 1.586 11.972 1.00 0.00 N ATOM 1470 CA THR B 208 5.117 2.981 11.727 1.00 0.00 C ATOM 1471 C THR B 208 4.017 3.354 10.793 1.00 0.00 C ATOM 1472 O THR B 208 3.968 2.822 9.686 1.00 0.00 O ATOM 1473 CB THR B 208 6.409 3.300 11.034 1.00 0.00 C ATOM 1474 OG1 THR B 208 6.735 2.349 10.032 1.00 0.00 O ATOM 1475 CG2 THR B 208 7.580 3.235 12.029 1.00 0.00 C ATOM 0 H THR B 208 4.569 1.092 11.151 1.00 0.00 H new ATOM 0 HA THR B 208 5.132 3.513 12.678 1.00 0.00 H new ATOM 0 HB THR B 208 6.270 4.291 10.602 1.00 0.00 H new ATOM 0 HG1 THR B 208 7.474 1.786 10.344 1.00 0.00 H new ATOM 0 HG21 THR B 208 8.510 3.469 11.512 1.00 0.00 H new ATOM 0 HG22 THR B 208 7.418 3.957 12.829 1.00 0.00 H new ATOM 0 HG23 THR B 208 7.642 2.233 12.453 1.00 0.00 H new ATOM 1483 N SER B 209 3.097 4.238 11.220 1.00 0.00 N ATOM 1484 CA SER B 209 2.057 4.781 10.401 1.00 0.00 C ATOM 1485 C SER B 209 2.609 5.805 9.471 1.00 0.00 C ATOM 1486 O SER B 209 3.354 6.687 9.896 1.00 0.00 O ATOM 1487 CB SER B 209 0.863 5.377 11.164 1.00 0.00 C ATOM 1488 OG SER B 209 1.226 6.443 12.031 1.00 0.00 O ATOM 0 H SER B 209 3.077 4.589 12.177 1.00 0.00 H new ATOM 0 HA SER B 209 1.662 3.925 9.854 1.00 0.00 H new ATOM 0 HB2 SER B 209 0.125 5.736 10.447 1.00 0.00 H new ATOM 0 HB3 SER B 209 0.384 4.590 11.747 1.00 0.00 H new ATOM 0 HG SER B 209 0.427 6.781 12.486 1.00 0.00 H new ATOM 1494 N VAL B 210 2.295 5.710 8.166 1.00 0.00 N ATOM 1495 CA VAL B 210 2.909 6.528 7.167 1.00 0.00 C ATOM 1496 C VAL B 210 1.991 6.449 5.956 1.00 0.00 C ATOM 1497 O VAL B 210 1.012 5.656 6.008 1.00 0.00 O ATOM 1498 CB VAL B 210 4.327 6.126 6.892 1.00 0.00 C ATOM 1499 CG1 VAL B 210 4.446 4.922 5.942 1.00 0.00 C ATOM 1500 CG2 VAL B 210 5.109 7.361 6.410 1.00 0.00 C ATOM 1501 OXT VAL B 210 2.187 7.216 4.976 1.00 0.00 O ATOM 0 H VAL B 210 1.604 5.055 7.799 1.00 0.00 H new ATOM 0 HA VAL B 210 3.010 7.563 7.493 1.00 0.00 H new ATOM 0 HB VAL B 210 4.774 5.769 7.820 1.00 0.00 H new ATOM 0 HG11 VAL B 210 5.498 4.684 5.786 1.00 0.00 H new ATOM 0 HG12 VAL B 210 3.941 4.061 6.380 1.00 0.00 H new ATOM 0 HG13 VAL B 210 3.983 5.166 4.986 1.00 0.00 H new ATOM 0 HG21 VAL B 210 6.143 7.081 6.207 1.00 0.00 H new ATOM 0 HG22 VAL B 210 4.652 7.748 5.499 1.00 0.00 H new ATOM 0 HG23 VAL B 210 5.087 8.130 7.182 1.00 0.00 H new TER 1511 VAL B 210