USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 961 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 85 GLN : amide:sc= 2.13 K(o=3.4,f=-0.19) USER MOD Set 1.2: A 125 SER OG : rot -8:sc= 1.24 USER MOD Set 2.1: A 99 MET CE :methyl -136:sc= -0.0768 (180deg=-0.656) USER MOD Set 2.2: A 104 MET CE :methyl 165:sc= 0 (180deg=-0.165) USER MOD Set 3.1: A 56 ASN : amide:sc= 0.547 K(o=1.2,f=-2.6) USER MOD Set 3.2: A 105 LYS NZ :NH3+ 175:sc= 0.667 (180deg=0) USER MOD Set 4.1: A 21 TYR OH : rot -136:sc= 0.452 USER MOD Set 4.2: A 113 CYS SG : rot 180:sc= 0.0843 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.051 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.0112 X(o=-0.011,f=-0.031) USER MOD Single : A 6 GLN : amide:sc= 1.97 K(o=2,f=-5.8!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.23) USER MOD Single : A 23 HIS : no HE2:sc= 0.148 K(o=0.15,f=-2.3!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0.152 USER MOD Single : A 35 HIS : no HE2:sc= -0.379 K(o=-0.38,f=-1.8) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -162:sc= 1.28 USER MOD Single : A 49 SER OG : rot -44:sc= 0.0117 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 175:sc= 1.29 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 166:sc= 1.24 (180deg=0.911) USER MOD Single : A 72 CYS SG : rot 69:sc= 0.211 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.66 K(o=0.66,f=-5.1!) USER MOD Single : A 78 ASN : amide:sc= 1.76 K(o=1.8,f=-0.036) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.4!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -154:sc= 1.08 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= -0.0249 X(o=-0.025,f=-0.025) USER MOD Single : A 103 LYS NZ :NH3+ 172:sc= 1.89 (180deg=1.78) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0.639 K(o=0.64,f=-2.7!) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 THR OG1 : rot 72:sc= 1.35 USER MOD Single : A 119 GLN : amide:sc= 0.415 X(o=0.41,f=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.480 3.393 0.437 1.00 0.00 N ATOM 2 CA MET A 1 18.456 3.051 1.892 1.00 0.00 C ATOM 3 C MET A 1 17.678 1.749 2.142 1.00 0.00 C ATOM 4 O MET A 1 16.824 1.371 1.339 1.00 0.00 O ATOM 5 CB MET A 1 17.871 4.194 2.759 1.00 0.00 C ATOM 6 CG MET A 1 18.742 5.460 2.790 1.00 0.00 C ATOM 7 SD MET A 1 20.425 5.214 3.429 1.00 0.00 S ATOM 8 CE MET A 1 21.051 6.914 3.322 1.00 0.00 C ATOM 0 H1 MET A 1 19.446 3.280 0.070 1.00 0.00 H new ATOM 0 H2 MET A 1 17.837 2.759 -0.079 1.00 0.00 H new ATOM 0 H3 MET A 1 18.174 4.378 0.307 1.00 0.00 H new ATOM 0 HA MET A 1 19.494 2.908 2.192 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.882 4.454 2.381 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.737 3.832 3.778 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.808 5.863 1.779 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.243 6.212 3.401 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.081 6.946 3.678 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.015 7.251 2.286 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.434 7.568 3.938 1.00 0.00 H new ATOM 20 N ALA A 2 17.958 1.060 3.255 1.00 0.00 N ATOM 21 CA ALA A 2 17.268 -0.174 3.652 1.00 0.00 C ATOM 22 C ALA A 2 15.804 0.074 4.076 1.00 0.00 C ATOM 23 O ALA A 2 15.453 1.148 4.572 1.00 0.00 O ATOM 24 CB ALA A 2 18.079 -0.849 4.770 1.00 0.00 C ATOM 0 H ALA A 2 18.681 1.348 3.915 1.00 0.00 H new ATOM 0 HA ALA A 2 17.210 -0.837 2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 2 17.580 -1.768 5.077 1.00 0.00 H new ATOM 0 HB2 ALA A 2 19.078 -1.084 4.404 1.00 0.00 H new ATOM 0 HB3 ALA A 2 18.154 -0.175 5.623 1.00 0.00 H new ATOM 30 N SER A 3 14.950 -0.935 3.904 1.00 0.00 N ATOM 31 CA SER A 3 13.504 -0.895 4.202 1.00 0.00 C ATOM 32 C SER A 3 12.870 -2.309 4.174 1.00 0.00 C ATOM 33 O SER A 3 13.413 -3.202 3.505 1.00 0.00 O ATOM 34 CB SER A 3 12.776 0.050 3.219 1.00 0.00 C ATOM 35 OG SER A 3 13.008 -0.278 1.854 1.00 0.00 O ATOM 0 H SER A 3 15.250 -1.840 3.540 1.00 0.00 H new ATOM 0 HA SER A 3 13.387 -0.507 5.214 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.705 0.016 3.418 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.101 1.074 3.401 1.00 0.00 H new ATOM 0 HG SER A 3 12.523 0.350 1.280 1.00 0.00 H new ATOM 41 N PRO A 4 11.741 -2.541 4.882 1.00 0.00 N ATOM 42 CA PRO A 4 11.039 -3.825 4.888 1.00 0.00 C ATOM 43 C PRO A 4 10.272 -4.056 3.577 1.00 0.00 C ATOM 44 O PRO A 4 9.901 -3.117 2.873 1.00 0.00 O ATOM 45 CB PRO A 4 10.093 -3.766 6.094 1.00 0.00 C ATOM 46 CG PRO A 4 9.756 -2.281 6.189 1.00 0.00 C ATOM 47 CD PRO A 4 11.070 -1.611 5.788 1.00 0.00 C ATOM 0 HA PRO A 4 11.734 -4.661 4.966 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.202 -4.374 5.939 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.573 -4.131 7.002 1.00 0.00 H new ATOM 0 HG2 PRO A 4 8.941 -2.007 5.519 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.449 -1.999 7.196 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.886 -0.655 5.298 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.686 -1.407 6.664 1.00 0.00 H new ATOM 55 N HIS A 5 9.998 -5.326 3.261 1.00 0.00 N ATOM 56 CA HIS A 5 9.294 -5.716 2.028 1.00 0.00 C ATOM 57 C HIS A 5 7.779 -5.404 2.048 1.00 0.00 C ATOM 58 O HIS A 5 7.135 -5.396 0.993 1.00 0.00 O ATOM 59 CB HIS A 5 9.554 -7.207 1.754 1.00 0.00 C ATOM 60 CG HIS A 5 8.899 -8.150 2.738 1.00 0.00 C ATOM 61 ND1 HIS A 5 7.630 -8.677 2.636 1.00 0.00 N ATOM 62 CD2 HIS A 5 9.455 -8.663 3.881 1.00 0.00 C ATOM 63 CE1 HIS A 5 7.421 -9.474 3.697 1.00 0.00 C ATOM 64 NE2 HIS A 5 8.509 -9.500 4.490 1.00 0.00 N ATOM 0 H HIS A 5 10.257 -6.116 3.852 1.00 0.00 H new ATOM 0 HA HIS A 5 9.695 -5.109 1.216 1.00 0.00 H new ATOM 0 HB2 HIS A 5 9.200 -7.446 0.751 1.00 0.00 H new ATOM 0 HB3 HIS A 5 10.630 -7.383 1.763 1.00 0.00 H new ATOM 0 HD2 HIS A 5 10.450 -8.458 4.249 1.00 0.00 H new ATOM 0 HE1 HIS A 5 6.508 -10.018 3.887 1.00 0.00 H new ATOM 0 HE2 HIS A 5 8.622 -10.023 5.358 1.00 0.00 H new ATOM 72 N GLN A 6 7.205 -5.143 3.230 1.00 0.00 N ATOM 73 CA GLN A 6 5.783 -4.852 3.453 1.00 0.00 C ATOM 74 C GLN A 6 5.602 -4.150 4.814 1.00 0.00 C ATOM 75 O GLN A 6 6.219 -4.546 5.802 1.00 0.00 O ATOM 76 CB GLN A 6 4.978 -6.170 3.358 1.00 0.00 C ATOM 77 CG GLN A 6 3.456 -5.967 3.404 1.00 0.00 C ATOM 78 CD GLN A 6 2.693 -7.239 3.025 1.00 0.00 C ATOM 79 OE1 GLN A 6 2.178 -7.375 1.921 1.00 0.00 O ATOM 80 NE2 GLN A 6 2.583 -8.219 3.896 1.00 0.00 N ATOM 0 H GLN A 6 7.744 -5.128 4.096 1.00 0.00 H new ATOM 0 HA GLN A 6 5.405 -4.173 2.689 1.00 0.00 H new ATOM 0 HB2 GLN A 6 5.240 -6.680 2.431 1.00 0.00 H new ATOM 0 HB3 GLN A 6 5.273 -6.826 4.177 1.00 0.00 H new ATOM 0 HG2 GLN A 6 3.163 -5.654 4.406 1.00 0.00 H new ATOM 0 HG3 GLN A 6 3.178 -5.162 2.724 1.00 0.00 H new ATOM 0 HE21 GLN A 6 3.003 -8.129 4.821 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.077 -9.069 3.646 1.00 0.00 H new ATOM 89 N GLU A 7 4.754 -3.113 4.878 1.00 0.00 N ATOM 90 CA GLU A 7 4.568 -2.268 6.069 1.00 0.00 C ATOM 91 C GLU A 7 3.190 -1.575 6.047 1.00 0.00 C ATOM 92 O GLU A 7 2.875 -0.917 5.046 1.00 0.00 O ATOM 93 CB GLU A 7 5.683 -1.202 6.123 1.00 0.00 C ATOM 94 CG GLU A 7 5.612 -0.294 7.360 1.00 0.00 C ATOM 95 CD GLU A 7 6.675 0.808 7.290 1.00 0.00 C ATOM 96 OE1 GLU A 7 6.413 1.852 6.642 1.00 0.00 O ATOM 97 OE2 GLU A 7 7.766 0.649 7.887 1.00 0.00 O ATOM 0 H GLU A 7 4.168 -2.833 4.091 1.00 0.00 H new ATOM 0 HA GLU A 7 4.618 -2.903 6.954 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.652 -1.701 6.105 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.626 -0.584 5.227 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.621 0.155 7.431 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.758 -0.889 8.262 1.00 0.00 H new ATOM 104 N PRO A 8 2.387 -1.661 7.130 1.00 0.00 N ATOM 105 CA PRO A 8 1.175 -0.868 7.286 1.00 0.00 C ATOM 106 C PRO A 8 1.525 0.546 7.761 1.00 0.00 C ATOM 107 O PRO A 8 2.349 0.737 8.655 1.00 0.00 O ATOM 108 CB PRO A 8 0.334 -1.623 8.315 1.00 0.00 C ATOM 109 CG PRO A 8 1.386 -2.248 9.230 1.00 0.00 C ATOM 110 CD PRO A 8 2.551 -2.545 8.281 1.00 0.00 C ATOM 0 HA PRO A 8 0.630 -0.745 6.350 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.330 -0.954 8.862 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.293 -2.381 7.845 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.681 -1.566 10.027 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.015 -3.155 9.707 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.507 -2.367 8.773 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.542 -3.590 7.971 1.00 0.00 H new ATOM 118 N LYS A 9 0.881 1.553 7.167 1.00 0.00 N ATOM 119 CA LYS A 9 1.015 2.957 7.582 1.00 0.00 C ATOM 120 C LYS A 9 0.038 3.289 8.734 1.00 0.00 C ATOM 121 O LYS A 9 -0.978 2.603 8.892 1.00 0.00 O ATOM 122 CB LYS A 9 0.837 3.862 6.345 1.00 0.00 C ATOM 123 CG LYS A 9 2.145 4.086 5.560 1.00 0.00 C ATOM 124 CD LYS A 9 2.840 2.791 5.101 1.00 0.00 C ATOM 125 CE LYS A 9 4.011 3.054 4.142 1.00 0.00 C ATOM 126 NZ LYS A 9 5.203 3.622 4.828 1.00 0.00 N ATOM 0 H LYS A 9 0.247 1.420 6.379 1.00 0.00 H new ATOM 0 HA LYS A 9 2.011 3.140 7.985 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.095 3.417 5.682 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.443 4.827 6.663 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.929 4.698 4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.836 4.654 6.183 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.205 2.251 5.974 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.111 2.147 4.609 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.290 2.121 3.652 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.687 3.740 3.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.961 3.779 4.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.949 4.527 5.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.533 2.958 5.557 1.00 0.00 H new ATOM 140 N PRO A 10 0.334 4.301 9.577 1.00 0.00 N ATOM 141 CA PRO A 10 -0.503 4.622 10.729 1.00 0.00 C ATOM 142 C PRO A 10 -1.878 5.099 10.238 1.00 0.00 C ATOM 143 O PRO A 10 -1.977 6.012 9.419 1.00 0.00 O ATOM 144 CB PRO A 10 0.292 5.654 11.541 1.00 0.00 C ATOM 145 CG PRO A 10 1.140 6.351 10.478 1.00 0.00 C ATOM 146 CD PRO A 10 1.475 5.207 9.518 1.00 0.00 C ATOM 0 HA PRO A 10 -0.722 3.772 11.375 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.365 6.355 12.056 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.910 5.179 12.302 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.591 7.150 9.981 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.038 6.799 10.904 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.630 5.578 8.505 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.393 4.701 9.816 1.00 0.00 H new ATOM 154 N GLY A 11 -2.932 4.419 10.703 1.00 0.00 N ATOM 155 CA GLY A 11 -4.331 4.629 10.306 1.00 0.00 C ATOM 156 C GLY A 11 -4.802 3.795 9.109 1.00 0.00 C ATOM 157 O GLY A 11 -5.973 3.896 8.751 1.00 0.00 O ATOM 0 H GLY A 11 -2.831 3.676 11.395 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.972 4.405 11.159 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.471 5.684 10.071 1.00 0.00 H new ATOM 161 N ASP A 12 -3.935 2.992 8.489 1.00 0.00 N ATOM 162 CA ASP A 12 -4.281 2.061 7.404 1.00 0.00 C ATOM 163 C ASP A 12 -4.630 0.659 7.944 1.00 0.00 C ATOM 164 O ASP A 12 -4.238 0.272 9.051 1.00 0.00 O ATOM 165 CB ASP A 12 -3.156 1.996 6.356 1.00 0.00 C ATOM 166 CG ASP A 12 -3.094 3.262 5.488 1.00 0.00 C ATOM 167 OD1 ASP A 12 -2.807 4.367 6.005 1.00 0.00 O ATOM 168 OD2 ASP A 12 -3.409 3.174 4.278 1.00 0.00 O ATOM 0 H ASP A 12 -2.945 2.968 8.732 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.175 2.445 6.913 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.200 1.857 6.861 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.308 1.127 5.716 1.00 0.00 H new ATOM 173 N LEU A 13 -5.399 -0.093 7.146 1.00 0.00 N ATOM 174 CA LEU A 13 -5.968 -1.389 7.516 1.00 0.00 C ATOM 175 C LEU A 13 -5.377 -2.566 6.729 1.00 0.00 C ATOM 176 O LEU A 13 -4.767 -2.406 5.673 1.00 0.00 O ATOM 177 CB LEU A 13 -7.509 -1.343 7.454 1.00 0.00 C ATOM 178 CG LEU A 13 -8.141 -1.256 6.047 1.00 0.00 C ATOM 179 CD1 LEU A 13 -9.585 -1.756 6.150 1.00 0.00 C ATOM 180 CD2 LEU A 13 -8.156 0.177 5.493 1.00 0.00 C ATOM 0 H LEU A 13 -5.648 0.194 6.199 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.680 -1.580 8.550 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.897 -2.234 7.947 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.848 -0.485 8.034 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.542 -1.862 5.367 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.058 -1.706 5.169 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.589 -2.787 6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.137 -1.131 6.852 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.611 0.179 4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.733 0.818 6.159 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.135 0.551 5.424 1.00 0.00 H new ATOM 192 N ILE A 14 -5.549 -3.766 7.280 1.00 0.00 N ATOM 193 CA ILE A 14 -4.745 -4.954 6.976 1.00 0.00 C ATOM 194 C ILE A 14 -5.619 -6.218 7.011 1.00 0.00 C ATOM 195 O ILE A 14 -6.344 -6.434 7.982 1.00 0.00 O ATOM 196 CB ILE A 14 -3.605 -5.128 8.020 1.00 0.00 C ATOM 197 CG1 ILE A 14 -2.948 -3.818 8.528 1.00 0.00 C ATOM 198 CG2 ILE A 14 -2.531 -6.063 7.431 1.00 0.00 C ATOM 199 CD1 ILE A 14 -1.914 -4.049 9.639 1.00 0.00 C ATOM 0 H ILE A 14 -6.275 -3.947 7.973 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.321 -4.817 5.981 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.078 -5.554 8.905 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.465 -3.313 7.691 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.725 -3.149 8.898 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.726 -6.193 8.154 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.976 -7.032 7.206 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.130 -5.626 6.516 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.493 -3.093 9.949 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.397 -4.526 10.492 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.117 -4.693 9.266 1.00 0.00 H new ATOM 211 N GLU A 15 -5.511 -7.059 5.986 1.00 0.00 N ATOM 212 CA GLU A 15 -6.083 -8.406 5.946 1.00 0.00 C ATOM 213 C GLU A 15 -5.015 -9.380 6.461 1.00 0.00 C ATOM 214 O GLU A 15 -3.913 -9.426 5.909 1.00 0.00 O ATOM 215 CB GLU A 15 -6.469 -8.784 4.503 1.00 0.00 C ATOM 216 CG GLU A 15 -7.564 -7.894 3.912 1.00 0.00 C ATOM 217 CD GLU A 15 -7.873 -8.302 2.464 1.00 0.00 C ATOM 218 OE1 GLU A 15 -8.736 -9.187 2.246 1.00 0.00 O ATOM 219 OE2 GLU A 15 -7.252 -7.739 1.530 1.00 0.00 O ATOM 0 H GLU A 15 -5.008 -6.816 5.133 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.981 -8.449 6.562 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.583 -8.725 3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.805 -9.821 4.485 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.467 -7.970 4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.247 -6.851 3.942 1.00 0.00 H new ATOM 226 N ILE A 16 -5.301 -10.140 7.522 1.00 0.00 N ATOM 227 CA ILE A 16 -4.316 -10.995 8.213 1.00 0.00 C ATOM 228 C ILE A 16 -4.832 -12.433 8.314 1.00 0.00 C ATOM 229 O ILE A 16 -5.869 -12.709 8.925 1.00 0.00 O ATOM 230 CB ILE A 16 -3.947 -10.414 9.606 1.00 0.00 C ATOM 231 CG1 ILE A 16 -3.554 -8.920 9.488 1.00 0.00 C ATOM 232 CG2 ILE A 16 -2.802 -11.238 10.230 1.00 0.00 C ATOM 233 CD1 ILE A 16 -2.956 -8.272 10.741 1.00 0.00 C ATOM 0 H ILE A 16 -6.233 -10.183 7.935 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.400 -11.012 7.622 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.818 -10.478 10.258 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.835 -8.819 8.675 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.441 -8.355 9.201 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.548 -10.826 11.207 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.120 -12.274 10.345 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.928 -11.197 9.580 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.722 -7.228 10.534 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.675 -8.328 11.558 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.045 -8.799 11.023 1.00 0.00 H new ATOM 245 N PHE A 17 -4.044 -13.372 7.790 1.00 0.00 N ATOM 246 CA PHE A 17 -4.268 -14.817 7.859 1.00 0.00 C ATOM 247 C PHE A 17 -3.779 -15.381 9.209 1.00 0.00 C ATOM 248 O PHE A 17 -2.999 -16.334 9.263 1.00 0.00 O ATOM 249 CB PHE A 17 -3.595 -15.481 6.645 1.00 0.00 C ATOM 250 CG PHE A 17 -4.181 -15.072 5.304 1.00 0.00 C ATOM 251 CD1 PHE A 17 -3.679 -13.950 4.615 1.00 0.00 C ATOM 252 CD2 PHE A 17 -5.239 -15.814 4.743 1.00 0.00 C ATOM 253 CE1 PHE A 17 -4.230 -13.568 3.379 1.00 0.00 C ATOM 254 CE2 PHE A 17 -5.784 -15.437 3.502 1.00 0.00 C ATOM 255 CZ PHE A 17 -5.281 -14.314 2.820 1.00 0.00 C ATOM 0 H PHE A 17 -3.192 -13.135 7.282 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.334 -15.040 7.813 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.533 -15.236 6.654 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.673 -16.563 6.748 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.866 -13.380 5.039 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.632 -16.673 5.266 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.846 -12.702 2.860 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.591 -16.011 3.072 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.702 -14.026 1.868 1.00 0.00 H new ATOM 265 N ARG A 18 -4.233 -14.766 10.313 1.00 0.00 N ATOM 266 CA ARG A 18 -3.942 -15.194 11.691 1.00 0.00 C ATOM 267 C ARG A 18 -4.395 -16.627 11.948 1.00 0.00 C ATOM 268 O ARG A 18 -3.699 -17.409 12.596 1.00 0.00 O ATOM 269 CB ARG A 18 -4.611 -14.207 12.669 1.00 0.00 C ATOM 270 CG ARG A 18 -4.343 -14.472 14.162 1.00 0.00 C ATOM 271 CD ARG A 18 -2.856 -14.689 14.469 1.00 0.00 C ATOM 272 NE ARG A 18 -2.551 -14.429 15.888 1.00 0.00 N ATOM 273 CZ ARG A 18 -1.361 -14.081 16.373 1.00 0.00 C ATOM 274 NH1 ARG A 18 -0.272 -14.109 15.635 1.00 0.00 N ATOM 275 NH2 ARG A 18 -1.257 -13.675 17.618 1.00 0.00 N ATOM 0 H ARG A 18 -4.827 -13.938 10.271 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.863 -15.183 11.846 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.272 -13.199 12.430 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.688 -14.229 12.501 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.711 -13.630 14.748 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.906 -15.350 14.477 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.578 -15.713 14.218 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.255 -14.032 13.841 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.317 -14.524 16.555 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.324 -14.404 14.660 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.624 -13.836 16.038 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.086 -13.627 18.210 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.347 -13.408 17.993 1.00 0.00 H new ATOM 289 N LEU A 19 -5.571 -16.942 11.416 1.00 0.00 N ATOM 290 CA LEU A 19 -6.347 -18.139 11.679 1.00 0.00 C ATOM 291 C LEU A 19 -7.320 -18.349 10.504 1.00 0.00 C ATOM 292 O LEU A 19 -7.467 -17.459 9.658 1.00 0.00 O ATOM 293 CB LEU A 19 -7.076 -17.911 13.027 1.00 0.00 C ATOM 294 CG LEU A 19 -6.376 -18.474 14.280 1.00 0.00 C ATOM 295 CD1 LEU A 19 -7.128 -18.002 15.533 1.00 0.00 C ATOM 296 CD2 LEU A 19 -6.312 -20.010 14.272 1.00 0.00 C ATOM 0 H LEU A 19 -6.033 -16.326 10.747 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.737 -19.038 11.759 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.216 -16.839 13.165 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.069 -18.356 12.960 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.351 -18.103 14.282 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.637 -18.397 16.422 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.125 -16.913 15.571 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.157 -18.361 15.497 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.810 -20.358 15.175 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.323 -20.416 14.239 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.757 -20.346 13.396 1.00 0.00 H new ATOM 308 N GLY A 20 -8.022 -19.485 10.472 1.00 0.00 N ATOM 309 CA GLY A 20 -8.927 -19.867 9.371 1.00 0.00 C ATOM 310 C GLY A 20 -10.139 -18.948 9.164 1.00 0.00 C ATOM 311 O GLY A 20 -10.847 -19.086 8.167 1.00 0.00 O ATOM 0 H GLY A 20 -7.981 -20.179 11.218 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.353 -19.896 8.445 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.287 -20.879 9.555 1.00 0.00 H new ATOM 315 N TYR A 21 -10.364 -17.987 10.065 1.00 0.00 N ATOM 316 CA TYR A 21 -11.394 -16.952 9.931 1.00 0.00 C ATOM 317 C TYR A 21 -11.042 -15.864 8.892 1.00 0.00 C ATOM 318 O TYR A 21 -11.942 -15.384 8.202 1.00 0.00 O ATOM 319 CB TYR A 21 -11.588 -16.317 11.319 1.00 0.00 C ATOM 320 CG TYR A 21 -12.564 -15.150 11.365 1.00 0.00 C ATOM 321 CD1 TYR A 21 -13.899 -15.318 10.949 1.00 0.00 C ATOM 322 CD2 TYR A 21 -12.133 -13.890 11.827 1.00 0.00 C ATOM 323 CE1 TYR A 21 -14.792 -14.231 10.978 1.00 0.00 C ATOM 324 CE2 TYR A 21 -13.023 -12.802 11.878 1.00 0.00 C ATOM 325 CZ TYR A 21 -14.360 -12.971 11.453 1.00 0.00 C ATOM 326 OH TYR A 21 -15.230 -11.927 11.508 1.00 0.00 O ATOM 0 H TYR A 21 -9.824 -17.905 10.926 1.00 0.00 H new ATOM 0 HA TYR A 21 -12.309 -17.419 9.566 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.934 -17.087 12.008 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -10.619 -15.975 11.683 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -14.238 -16.284 10.607 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -11.109 -13.759 12.145 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -15.809 -14.359 10.637 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -12.686 -11.842 12.240 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.793 -11.118 11.168 1.00 0.00 H new ATOM 336 N GLU A 22 -9.749 -15.506 8.785 1.00 0.00 N ATOM 337 CA GLU A 22 -9.196 -14.360 8.033 1.00 0.00 C ATOM 338 C GLU A 22 -9.625 -13.043 8.712 1.00 0.00 C ATOM 339 O GLU A 22 -10.787 -12.636 8.646 1.00 0.00 O ATOM 340 CB GLU A 22 -9.565 -14.370 6.533 1.00 0.00 C ATOM 341 CG GLU A 22 -9.081 -15.632 5.804 1.00 0.00 C ATOM 342 CD GLU A 22 -9.606 -15.681 4.358 1.00 0.00 C ATOM 343 OE1 GLU A 22 -9.347 -14.736 3.574 1.00 0.00 O ATOM 344 OE2 GLU A 22 -10.277 -16.674 3.989 1.00 0.00 O ATOM 0 H GLU A 22 -9.015 -16.041 9.250 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.110 -14.448 8.060 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.647 -14.290 6.430 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.134 -13.492 6.053 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.991 -15.655 5.798 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.416 -16.517 6.345 1.00 0.00 H new ATOM 351 N HIS A 23 -8.693 -12.370 9.394 1.00 0.00 N ATOM 352 CA HIS A 23 -9.004 -11.232 10.270 1.00 0.00 C ATOM 353 C HIS A 23 -8.709 -9.859 9.636 1.00 0.00 C ATOM 354 O HIS A 23 -7.760 -9.702 8.864 1.00 0.00 O ATOM 355 CB HIS A 23 -8.183 -11.355 11.567 1.00 0.00 C ATOM 356 CG HIS A 23 -8.572 -12.500 12.470 1.00 0.00 C ATOM 357 ND1 HIS A 23 -9.176 -12.391 13.703 1.00 0.00 N ATOM 358 CD2 HIS A 23 -8.307 -13.829 12.269 1.00 0.00 C ATOM 359 CE1 HIS A 23 -9.239 -13.622 14.241 1.00 0.00 C ATOM 360 NE2 HIS A 23 -8.729 -14.539 13.400 1.00 0.00 N ATOM 0 H HIS A 23 -7.700 -12.598 9.355 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.077 -11.274 10.459 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.131 -11.463 11.303 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -8.277 -10.424 12.127 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -9.515 -11.530 14.132 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -7.850 -14.256 11.388 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -9.645 -13.844 15.217 1.00 0.00 H new ATOM 368 N TRP A 24 -9.493 -8.849 10.032 1.00 0.00 N ATOM 369 CA TRP A 24 -9.227 -7.439 9.736 1.00 0.00 C ATOM 370 C TRP A 24 -8.469 -6.804 10.912 1.00 0.00 C ATOM 371 O TRP A 24 -8.851 -6.994 12.070 1.00 0.00 O ATOM 372 CB TRP A 24 -10.545 -6.677 9.524 1.00 0.00 C ATOM 373 CG TRP A 24 -11.098 -6.639 8.130 1.00 0.00 C ATOM 374 CD1 TRP A 24 -12.355 -6.979 7.773 1.00 0.00 C ATOM 375 CD2 TRP A 24 -10.476 -6.125 6.913 1.00 0.00 C ATOM 376 NE1 TRP A 24 -12.539 -6.762 6.425 1.00 0.00 N ATOM 377 CE2 TRP A 24 -11.415 -6.225 5.842 1.00 0.00 C ATOM 378 CE3 TRP A 24 -9.230 -5.531 6.617 1.00 0.00 C ATOM 379 CZ2 TRP A 24 -11.120 -5.790 4.541 1.00 0.00 C ATOM 380 CZ3 TRP A 24 -8.921 -5.095 5.317 1.00 0.00 C ATOM 381 CH2 TRP A 24 -9.860 -5.229 4.278 1.00 0.00 C ATOM 0 H TRP A 24 -10.344 -8.993 10.576 1.00 0.00 H new ATOM 0 HA TRP A 24 -8.629 -7.380 8.827 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -11.299 -7.119 10.175 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -10.399 -5.650 9.858 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -13.106 -7.365 8.446 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -13.401 -6.973 5.922 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.501 -5.409 7.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -11.852 -5.885 3.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -7.956 -4.654 5.114 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -9.612 -4.901 3.279 1.00 0.00 H new ATOM 392 N ALA A 25 -7.447 -5.997 10.618 1.00 0.00 N ATOM 393 CA ALA A 25 -6.736 -5.179 11.601 1.00 0.00 C ATOM 394 C ALA A 25 -6.479 -3.748 11.100 1.00 0.00 C ATOM 395 O ALA A 25 -6.476 -3.495 9.898 1.00 0.00 O ATOM 396 CB ALA A 25 -5.427 -5.889 11.975 1.00 0.00 C ATOM 0 H ALA A 25 -7.084 -5.892 9.671 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.363 -5.072 12.486 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.885 -5.291 12.708 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.652 -6.867 12.400 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.813 -6.014 11.083 1.00 0.00 H new ATOM 402 N LEU A 26 -6.243 -2.824 12.033 1.00 0.00 N ATOM 403 CA LEU A 26 -5.950 -1.402 11.825 1.00 0.00 C ATOM 404 C LEU A 26 -4.677 -1.068 12.606 1.00 0.00 C ATOM 405 O LEU A 26 -4.648 -1.238 13.826 1.00 0.00 O ATOM 406 CB LEU A 26 -7.160 -0.615 12.374 1.00 0.00 C ATOM 407 CG LEU A 26 -7.305 0.884 12.024 1.00 0.00 C ATOM 408 CD1 LEU A 26 -6.066 1.752 12.282 1.00 0.00 C ATOM 409 CD2 LEU A 26 -7.748 1.050 10.563 1.00 0.00 C ATOM 0 H LEU A 26 -6.252 -3.065 13.024 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.792 -1.150 10.776 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.063 -1.121 12.032 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.140 -0.698 13.461 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.065 1.251 12.714 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.280 2.783 12.002 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.806 1.710 13.340 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.231 1.380 11.688 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.846 2.110 10.331 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.004 0.601 9.904 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.708 0.556 10.416 1.00 0.00 H new ATOM 421 N TYR A 27 -3.633 -0.577 11.942 1.00 0.00 N ATOM 422 CA TYR A 27 -2.398 -0.143 12.605 1.00 0.00 C ATOM 423 C TYR A 27 -2.595 1.241 13.244 1.00 0.00 C ATOM 424 O TYR A 27 -2.500 2.271 12.577 1.00 0.00 O ATOM 425 CB TYR A 27 -1.256 -0.169 11.580 1.00 0.00 C ATOM 426 CG TYR A 27 0.153 -0.005 12.119 1.00 0.00 C ATOM 427 CD1 TYR A 27 0.715 -0.995 12.947 1.00 0.00 C ATOM 428 CD2 TYR A 27 0.945 1.076 11.692 1.00 0.00 C ATOM 429 CE1 TYR A 27 2.077 -0.932 13.299 1.00 0.00 C ATOM 430 CE2 TYR A 27 2.306 1.147 12.036 1.00 0.00 C ATOM 431 CZ TYR A 27 2.883 0.121 12.816 1.00 0.00 C ATOM 432 OH TYR A 27 4.222 0.123 13.060 1.00 0.00 O ATOM 0 H TYR A 27 -3.616 -0.467 10.928 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.137 -0.821 13.417 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.305 -1.115 11.041 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.435 0.622 10.852 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.101 -1.804 13.313 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.503 1.859 11.094 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.505 -1.690 13.939 1.00 0.00 H new ATOM 0 HE2 TYR A 27 2.907 1.981 11.706 1.00 0.00 H new ATOM 0 HH TYR A 27 4.627 0.919 12.656 1.00 0.00 H new ATOM 442 N ILE A 28 -2.881 1.289 14.550 1.00 0.00 N ATOM 443 CA ILE A 28 -3.158 2.552 15.277 1.00 0.00 C ATOM 444 C ILE A 28 -1.917 3.419 15.537 1.00 0.00 C ATOM 445 O ILE A 28 -2.050 4.534 16.043 1.00 0.00 O ATOM 446 CB ILE A 28 -3.980 2.322 16.565 1.00 0.00 C ATOM 447 CG1 ILE A 28 -3.401 1.215 17.469 1.00 0.00 C ATOM 448 CG2 ILE A 28 -5.442 2.060 16.171 1.00 0.00 C ATOM 449 CD1 ILE A 28 -3.898 1.305 18.917 1.00 0.00 C ATOM 0 H ILE A 28 -2.929 0.459 15.140 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.776 3.134 14.593 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.927 3.222 17.178 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.668 0.241 17.059 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.313 1.277 17.459 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.037 1.895 17.069 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.833 2.922 15.630 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.495 1.177 15.534 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.456 0.500 19.504 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.608 2.266 19.342 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.984 1.213 18.935 1.00 0.00 H new ATOM 461 N GLY A 29 -0.730 2.938 15.163 1.00 0.00 N ATOM 462 CA GLY A 29 0.508 3.715 15.137 1.00 0.00 C ATOM 463 C GLY A 29 1.686 3.038 15.820 1.00 0.00 C ATOM 464 O GLY A 29 1.554 2.448 16.894 1.00 0.00 O ATOM 0 H GLY A 29 -0.601 1.972 14.862 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.773 3.920 14.100 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.329 4.678 15.616 1.00 0.00 H new ATOM 468 N ASP A 30 2.833 3.142 15.142 1.00 0.00 N ATOM 469 CA ASP A 30 4.208 2.817 15.555 1.00 0.00 C ATOM 470 C ASP A 30 4.519 1.344 15.914 1.00 0.00 C ATOM 471 O ASP A 30 5.683 0.934 15.882 1.00 0.00 O ATOM 472 CB ASP A 30 4.618 3.765 16.696 1.00 0.00 C ATOM 473 CG ASP A 30 6.128 3.735 16.988 1.00 0.00 C ATOM 474 OD1 ASP A 30 6.919 4.167 16.114 1.00 0.00 O ATOM 475 OD2 ASP A 30 6.518 3.320 18.105 1.00 0.00 O ATOM 0 H ASP A 30 2.823 3.494 14.185 1.00 0.00 H new ATOM 0 HA ASP A 30 4.811 2.966 14.659 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.323 4.783 16.439 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.073 3.494 17.600 1.00 0.00 H new ATOM 480 N GLY A 31 3.500 0.544 16.238 1.00 0.00 N ATOM 481 CA GLY A 31 3.614 -0.881 16.561 1.00 0.00 C ATOM 482 C GLY A 31 2.313 -1.554 16.995 1.00 0.00 C ATOM 483 O GLY A 31 2.220 -2.777 16.922 1.00 0.00 O ATOM 0 H GLY A 31 2.539 0.882 16.284 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.002 -1.405 15.688 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.349 -0.999 17.357 1.00 0.00 H new ATOM 487 N TYR A 32 1.303 -0.797 17.436 1.00 0.00 N ATOM 488 CA TYR A 32 0.039 -1.352 17.943 1.00 0.00 C ATOM 489 C TYR A 32 -1.029 -1.547 16.848 1.00 0.00 C ATOM 490 O TYR A 32 -1.123 -0.759 15.904 1.00 0.00 O ATOM 491 CB TYR A 32 -0.487 -0.460 19.076 1.00 0.00 C ATOM 492 CG TYR A 32 0.342 -0.535 20.343 1.00 0.00 C ATOM 493 CD1 TYR A 32 0.105 -1.563 21.276 1.00 0.00 C ATOM 494 CD2 TYR A 32 1.355 0.413 20.584 1.00 0.00 C ATOM 495 CE1 TYR A 32 0.873 -1.640 22.455 1.00 0.00 C ATOM 496 CE2 TYR A 32 2.131 0.340 21.757 1.00 0.00 C ATOM 497 CZ TYR A 32 1.893 -0.691 22.696 1.00 0.00 C ATOM 498 OH TYR A 32 2.654 -0.777 23.823 1.00 0.00 O ATOM 0 H TYR A 32 1.337 0.222 17.452 1.00 0.00 H new ATOM 0 HA TYR A 32 0.250 -2.351 18.323 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.514 0.573 18.730 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.513 -0.746 19.306 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -0.667 -2.294 21.087 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.538 1.199 19.866 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.683 -2.423 23.174 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.906 1.070 21.939 1.00 0.00 H new ATOM 0 HH TYR A 32 3.309 -0.048 23.832 1.00 0.00 H new ATOM 508 N VAL A 33 -1.873 -2.573 17.010 1.00 0.00 N ATOM 509 CA VAL A 33 -3.007 -2.891 16.120 1.00 0.00 C ATOM 510 C VAL A 33 -4.317 -3.050 16.891 1.00 0.00 C ATOM 511 O VAL A 33 -4.327 -3.555 18.010 1.00 0.00 O ATOM 512 CB VAL A 33 -2.781 -4.170 15.271 1.00 0.00 C ATOM 513 CG1 VAL A 33 -1.643 -3.969 14.262 1.00 0.00 C ATOM 514 CG2 VAL A 33 -2.511 -5.455 16.080 1.00 0.00 C ATOM 0 H VAL A 33 -1.787 -3.228 17.787 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.075 -2.036 15.448 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.732 -4.321 14.760 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.507 -4.881 13.681 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.892 -3.146 13.592 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.721 -3.737 14.795 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.367 -6.292 15.396 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.614 -5.322 16.686 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.361 -5.661 16.731 1.00 0.00 H new ATOM 524 N ILE A 34 -5.423 -2.652 16.260 1.00 0.00 N ATOM 525 CA ILE A 34 -6.806 -2.919 16.703 1.00 0.00 C ATOM 526 C ILE A 34 -7.414 -3.892 15.689 1.00 0.00 C ATOM 527 O ILE A 34 -7.167 -3.755 14.496 1.00 0.00 O ATOM 528 CB ILE A 34 -7.623 -1.606 16.779 1.00 0.00 C ATOM 529 CG1 ILE A 34 -7.002 -0.571 17.740 1.00 0.00 C ATOM 530 CG2 ILE A 34 -9.094 -1.867 17.162 1.00 0.00 C ATOM 531 CD1 ILE A 34 -6.926 -0.959 19.220 1.00 0.00 C ATOM 0 H ILE A 34 -5.386 -2.115 15.394 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.819 -3.350 17.704 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.594 -1.183 15.775 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.992 -0.350 17.395 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.575 0.353 17.660 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.632 -0.920 17.204 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.555 -2.514 16.415 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.135 -2.352 18.137 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.470 -0.147 19.786 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.931 -1.146 19.599 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.323 -1.860 19.329 1.00 0.00 H new ATOM 543 N HIS A 35 -8.187 -4.883 16.121 1.00 0.00 N ATOM 544 CA HIS A 35 -8.634 -5.988 15.258 1.00 0.00 C ATOM 545 C HIS A 35 -9.897 -6.672 15.808 1.00 0.00 C ATOM 546 O HIS A 35 -10.174 -6.580 17.002 1.00 0.00 O ATOM 547 CB HIS A 35 -7.474 -6.993 15.106 1.00 0.00 C ATOM 548 CG HIS A 35 -6.973 -7.531 16.425 1.00 0.00 C ATOM 549 ND1 HIS A 35 -7.316 -8.731 17.005 1.00 0.00 N ATOM 550 CD2 HIS A 35 -6.150 -6.880 17.304 1.00 0.00 C ATOM 551 CE1 HIS A 35 -6.720 -8.795 18.207 1.00 0.00 C ATOM 552 NE2 HIS A 35 -6.011 -7.677 18.442 1.00 0.00 N ATOM 0 H HIS A 35 -8.526 -4.949 17.081 1.00 0.00 H new ATOM 0 HA HIS A 35 -8.905 -5.589 14.281 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.803 -7.825 14.483 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.650 -6.509 14.582 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -7.917 -9.446 16.594 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.688 -5.917 17.145 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.799 -9.628 18.890 1.00 0.00 H new ATOM 560 N LEU A 36 -10.651 -7.377 14.953 1.00 0.00 N ATOM 561 CA LEU A 36 -11.856 -8.112 15.360 1.00 0.00 C ATOM 562 C LEU A 36 -11.553 -9.604 15.560 1.00 0.00 C ATOM 563 O LEU A 36 -10.889 -10.236 14.735 1.00 0.00 O ATOM 564 CB LEU A 36 -12.962 -7.892 14.305 1.00 0.00 C ATOM 565 CG LEU A 36 -14.382 -8.282 14.772 1.00 0.00 C ATOM 566 CD1 LEU A 36 -14.957 -7.247 15.746 1.00 0.00 C ATOM 567 CD2 LEU A 36 -15.332 -8.379 13.572 1.00 0.00 C ATOM 0 H LEU A 36 -10.442 -7.454 13.958 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.205 -7.732 16.320 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.965 -6.841 14.014 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.716 -8.469 13.414 1.00 0.00 H new ATOM 0 HG LEU A 36 -14.298 -9.246 15.273 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -15.957 -7.553 16.054 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.313 -7.175 16.623 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -15.010 -6.275 15.255 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -16.328 -8.655 13.918 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.378 -7.415 13.065 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -14.966 -9.136 12.879 1.00 0.00 H new ATOM 579 N ALA A 37 -12.080 -10.173 16.642 1.00 0.00 N ATOM 580 CA ALA A 37 -12.106 -11.609 16.918 1.00 0.00 C ATOM 581 C ALA A 37 -13.522 -12.170 16.632 1.00 0.00 C ATOM 582 O ALA A 37 -14.507 -11.484 16.938 1.00 0.00 O ATOM 583 CB ALA A 37 -11.690 -11.824 18.378 1.00 0.00 C ATOM 0 H ALA A 37 -12.519 -9.624 17.381 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.409 -12.144 16.272 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.702 -12.890 18.607 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.685 -11.431 18.531 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.387 -11.304 19.035 1.00 0.00 H new ATOM 589 N PRO A 38 -13.650 -13.384 16.056 1.00 0.00 N ATOM 590 CA PRO A 38 -14.933 -13.955 15.645 1.00 0.00 C ATOM 591 C PRO A 38 -15.786 -14.416 16.847 1.00 0.00 C ATOM 592 O PRO A 38 -15.253 -14.579 17.948 1.00 0.00 O ATOM 593 CB PRO A 38 -14.581 -15.135 14.729 1.00 0.00 C ATOM 594 CG PRO A 38 -13.220 -15.592 15.249 1.00 0.00 C ATOM 595 CD PRO A 38 -12.563 -14.275 15.662 1.00 0.00 C ATOM 0 HA PRO A 38 -15.543 -13.209 15.136 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.324 -15.930 14.794 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.530 -14.831 13.683 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.317 -16.278 16.090 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.645 -16.109 14.481 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.867 -14.429 16.487 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.991 -13.850 14.837 1.00 0.00 H new ATOM 603 N PRO A 39 -17.099 -14.676 16.646 1.00 0.00 N ATOM 604 CA PRO A 39 -17.981 -15.209 17.683 1.00 0.00 C ATOM 605 C PRO A 39 -17.725 -16.673 18.082 1.00 0.00 C ATOM 606 O PRO A 39 -18.415 -17.180 18.964 1.00 0.00 O ATOM 607 CB PRO A 39 -19.410 -15.052 17.154 1.00 0.00 C ATOM 608 CG PRO A 39 -19.303 -14.196 15.893 1.00 0.00 C ATOM 609 CD PRO A 39 -17.863 -14.399 15.433 1.00 0.00 C ATOM 0 HA PRO A 39 -17.793 -14.651 18.600 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -19.851 -16.023 16.930 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -20.050 -14.575 17.896 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -20.014 -14.516 15.132 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -19.511 -13.147 16.103 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.790 -15.226 14.726 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.485 -13.512 14.926 1.00 0.00 H new ATOM 617 N SER A 40 -16.780 -17.374 17.444 1.00 0.00 N ATOM 618 CA SER A 40 -16.422 -18.769 17.753 1.00 0.00 C ATOM 619 C SER A 40 -15.999 -18.950 19.227 1.00 0.00 C ATOM 620 O SER A 40 -15.195 -18.169 19.747 1.00 0.00 O ATOM 621 CB SER A 40 -15.280 -19.232 16.833 1.00 0.00 C ATOM 622 OG SER A 40 -15.585 -18.992 15.463 1.00 0.00 O ATOM 0 H SER A 40 -16.229 -16.981 16.681 1.00 0.00 H new ATOM 0 HA SER A 40 -17.311 -19.377 17.585 1.00 0.00 H new ATOM 0 HB2 SER A 40 -14.362 -18.709 17.100 1.00 0.00 H new ATOM 0 HB3 SER A 40 -15.097 -20.296 16.985 1.00 0.00 H new ATOM 0 HG SER A 40 -14.839 -19.295 14.904 1.00 0.00 H new ATOM 628 N GLU A 41 -16.535 -19.963 19.920 1.00 0.00 N ATOM 629 CA GLU A 41 -16.319 -20.142 21.361 1.00 0.00 C ATOM 630 C GLU A 41 -14.914 -20.659 21.696 1.00 0.00 C ATOM 631 O GLU A 41 -14.433 -21.643 21.126 1.00 0.00 O ATOM 632 CB GLU A 41 -17.360 -21.092 21.979 1.00 0.00 C ATOM 633 CG GLU A 41 -18.785 -20.530 22.001 1.00 0.00 C ATOM 634 CD GLU A 41 -18.911 -19.204 22.769 1.00 0.00 C ATOM 635 OE1 GLU A 41 -18.143 -18.959 23.728 1.00 0.00 O ATOM 636 OE2 GLU A 41 -19.794 -18.397 22.403 1.00 0.00 O ATOM 0 H GLU A 41 -17.128 -20.678 19.500 1.00 0.00 H new ATOM 0 HA GLU A 41 -16.429 -19.147 21.793 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.359 -22.028 21.420 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -17.059 -21.329 22.999 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -19.124 -20.380 20.976 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.450 -21.266 22.452 1.00 0.00 H new ATOM 643 N TYR A 42 -14.279 -20.013 22.680 1.00 0.00 N ATOM 644 CA TYR A 42 -13.038 -20.482 23.303 1.00 0.00 C ATOM 645 C TYR A 42 -13.221 -21.758 24.172 1.00 0.00 C ATOM 646 O TYR A 42 -12.462 -22.715 23.967 1.00 0.00 O ATOM 647 CB TYR A 42 -12.369 -19.320 24.058 1.00 0.00 C ATOM 648 CG TYR A 42 -11.126 -19.720 24.830 1.00 0.00 C ATOM 649 CD1 TYR A 42 -9.911 -19.926 24.148 1.00 0.00 C ATOM 650 CD2 TYR A 42 -11.186 -19.909 26.227 1.00 0.00 C ATOM 651 CE1 TYR A 42 -8.761 -20.323 24.854 1.00 0.00 C ATOM 652 CE2 TYR A 42 -10.037 -20.301 26.939 1.00 0.00 C ATOM 653 CZ TYR A 42 -8.819 -20.513 26.253 1.00 0.00 C ATOM 654 OH TYR A 42 -7.700 -20.897 26.930 1.00 0.00 O ATOM 0 H TYR A 42 -14.619 -19.135 23.072 1.00 0.00 H new ATOM 0 HA TYR A 42 -12.365 -20.805 22.509 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -12.105 -18.540 23.344 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -13.091 -18.887 24.751 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -9.862 -19.779 23.079 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.117 -19.752 26.752 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.832 -20.483 24.326 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -10.086 -20.440 28.009 1.00 0.00 H new ATOM 0 HH TYR A 42 -7.908 -20.982 27.884 1.00 0.00 H new ATOM 664 N PRO A 43 -14.195 -21.817 25.107 1.00 0.00 N ATOM 665 CA PRO A 43 -14.514 -23.018 25.879 1.00 0.00 C ATOM 666 C PRO A 43 -15.329 -24.023 25.047 1.00 0.00 C ATOM 667 O PRO A 43 -15.868 -23.691 23.991 1.00 0.00 O ATOM 668 CB PRO A 43 -15.307 -22.513 27.092 1.00 0.00 C ATOM 669 CG PRO A 43 -16.045 -21.297 26.536 1.00 0.00 C ATOM 670 CD PRO A 43 -15.031 -20.713 25.557 1.00 0.00 C ATOM 0 HA PRO A 43 -13.616 -23.557 26.181 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -15.998 -23.269 27.466 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -14.651 -22.244 27.920 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -16.973 -21.578 26.039 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -16.306 -20.587 27.321 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -15.535 -20.242 24.714 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -14.428 -19.943 26.039 1.00 0.00 H new ATOM 678 N GLY A 44 -15.474 -25.252 25.564 1.00 0.00 N ATOM 679 CA GLY A 44 -16.268 -26.337 24.959 1.00 0.00 C ATOM 680 C GLY A 44 -17.779 -26.199 25.177 1.00 0.00 C ATOM 681 O GLY A 44 -18.485 -27.204 25.275 1.00 0.00 O ATOM 0 H GLY A 44 -15.030 -25.529 26.440 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.067 -26.367 23.888 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.937 -27.290 25.372 1.00 0.00 H new ATOM 685 N ALA A 45 -18.272 -24.963 25.297 1.00 0.00 N ATOM 686 CA ALA A 45 -19.662 -24.627 25.589 1.00 0.00 C ATOM 687 C ALA A 45 -20.589 -24.837 24.372 1.00 0.00 C ATOM 688 O ALA A 45 -20.261 -24.431 23.252 1.00 0.00 O ATOM 689 CB ALA A 45 -19.708 -23.184 26.100 1.00 0.00 C ATOM 0 H ALA A 45 -17.685 -24.136 25.188 1.00 0.00 H new ATOM 0 HA ALA A 45 -20.040 -25.303 26.357 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -20.739 -22.910 26.325 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -19.104 -23.099 27.004 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -19.314 -22.515 25.336 1.00 0.00 H new ATOM 695 N GLY A 46 -21.764 -25.430 24.617 1.00 0.00 N ATOM 696 CA GLY A 46 -22.778 -25.753 23.603 1.00 0.00 C ATOM 697 C GLY A 46 -22.560 -27.141 22.993 1.00 0.00 C ATOM 698 O GLY A 46 -21.423 -27.543 22.738 1.00 0.00 O ATOM 0 H GLY A 46 -22.045 -25.708 25.557 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -23.769 -25.707 24.054 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -22.753 -25.002 22.813 1.00 0.00 H new ATOM 702 N SER A 47 -23.656 -27.875 22.767 1.00 0.00 N ATOM 703 CA SER A 47 -23.661 -29.235 22.179 1.00 0.00 C ATOM 704 C SER A 47 -22.862 -30.258 23.023 1.00 0.00 C ATOM 705 O SER A 47 -22.301 -31.226 22.502 1.00 0.00 O ATOM 706 CB SER A 47 -23.198 -29.203 20.707 1.00 0.00 C ATOM 707 OG SER A 47 -24.003 -28.325 19.924 1.00 0.00 O ATOM 0 H SER A 47 -24.592 -27.538 22.991 1.00 0.00 H new ATOM 0 HA SER A 47 -24.693 -29.585 22.194 1.00 0.00 H new ATOM 0 HB2 SER A 47 -22.157 -28.883 20.659 1.00 0.00 H new ATOM 0 HB3 SER A 47 -23.242 -30.209 20.289 1.00 0.00 H new ATOM 0 HG SER A 47 -23.683 -28.326 18.998 1.00 0.00 H new ATOM 713 N SER A 48 -22.774 -30.034 24.339 1.00 0.00 N ATOM 714 CA SER A 48 -21.900 -30.761 25.273 1.00 0.00 C ATOM 715 C SER A 48 -22.491 -30.809 26.702 1.00 0.00 C ATOM 716 O SER A 48 -23.635 -30.413 26.938 1.00 0.00 O ATOM 717 CB SER A 48 -20.512 -30.083 25.270 1.00 0.00 C ATOM 718 OG SER A 48 -20.529 -28.869 26.007 1.00 0.00 O ATOM 0 H SER A 48 -23.330 -29.315 24.802 1.00 0.00 H new ATOM 0 HA SER A 48 -21.811 -31.796 24.944 1.00 0.00 H new ATOM 0 HB2 SER A 48 -19.773 -30.760 25.698 1.00 0.00 H new ATOM 0 HB3 SER A 48 -20.205 -29.883 24.243 1.00 0.00 H new ATOM 0 HG SER A 48 -19.748 -28.328 25.765 1.00 0.00 H new ATOM 724 N SER A 49 -21.702 -31.242 27.694 1.00 0.00 N ATOM 725 CA SER A 49 -22.098 -31.261 29.116 1.00 0.00 C ATOM 726 C SER A 49 -21.985 -29.873 29.803 1.00 0.00 C ATOM 727 O SER A 49 -22.151 -29.764 31.022 1.00 0.00 O ATOM 728 CB SER A 49 -21.265 -32.334 29.844 1.00 0.00 C ATOM 729 OG SER A 49 -21.907 -32.805 31.019 1.00 0.00 O ATOM 0 H SER A 49 -20.758 -31.594 27.534 1.00 0.00 H new ATOM 0 HA SER A 49 -23.157 -31.514 29.174 1.00 0.00 H new ATOM 0 HB2 SER A 49 -21.085 -33.171 29.170 1.00 0.00 H new ATOM 0 HB3 SER A 49 -20.291 -31.920 30.105 1.00 0.00 H new ATOM 0 HG SER A 49 -22.273 -32.046 31.518 1.00 0.00 H new ATOM 735 N VAL A 50 -21.690 -28.800 29.051 1.00 0.00 N ATOM 736 CA VAL A 50 -21.463 -27.437 29.575 1.00 0.00 C ATOM 737 C VAL A 50 -21.943 -26.360 28.591 1.00 0.00 C ATOM 738 O VAL A 50 -21.874 -26.543 27.379 1.00 0.00 O ATOM 739 CB VAL A 50 -19.978 -27.246 29.992 1.00 0.00 C ATOM 740 CG1 VAL A 50 -18.988 -27.358 28.820 1.00 0.00 C ATOM 741 CG2 VAL A 50 -19.746 -25.908 30.712 1.00 0.00 C ATOM 0 H VAL A 50 -21.600 -28.854 28.036 1.00 0.00 H new ATOM 0 HA VAL A 50 -22.068 -27.316 30.474 1.00 0.00 H new ATOM 0 HB VAL A 50 -19.781 -28.070 30.678 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -17.972 -27.214 29.187 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -19.073 -28.345 28.365 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -19.217 -26.595 28.076 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -18.694 -25.819 30.984 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -20.020 -25.086 30.050 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -20.359 -25.869 31.613 1.00 0.00 H new ATOM 751 N PHE A 51 -22.431 -25.231 29.120 1.00 0.00 N ATOM 752 CA PHE A 51 -23.008 -24.116 28.348 1.00 0.00 C ATOM 753 C PHE A 51 -22.437 -22.734 28.739 1.00 0.00 C ATOM 754 O PHE A 51 -22.980 -21.697 28.361 1.00 0.00 O ATOM 755 CB PHE A 51 -24.542 -24.183 28.472 1.00 0.00 C ATOM 756 CG PHE A 51 -25.149 -25.445 27.885 1.00 0.00 C ATOM 757 CD1 PHE A 51 -25.434 -25.513 26.508 1.00 0.00 C ATOM 758 CD2 PHE A 51 -25.391 -26.566 28.704 1.00 0.00 C ATOM 759 CE1 PHE A 51 -25.965 -26.692 25.954 1.00 0.00 C ATOM 760 CE2 PHE A 51 -25.916 -27.747 28.147 1.00 0.00 C ATOM 761 CZ PHE A 51 -26.201 -27.811 26.771 1.00 0.00 C ATOM 0 H PHE A 51 -22.437 -25.060 30.126 1.00 0.00 H new ATOM 0 HA PHE A 51 -22.722 -24.231 27.303 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -24.816 -24.115 29.525 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -24.976 -23.316 27.973 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -25.245 -24.658 25.876 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -25.173 -26.519 29.761 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -26.192 -26.737 24.899 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -26.100 -28.605 28.777 1.00 0.00 H new ATOM 0 HZ PHE A 51 -26.601 -28.719 26.343 1.00 0.00 H new ATOM 771 N SER A 52 -21.323 -22.699 29.475 1.00 0.00 N ATOM 772 CA SER A 52 -20.649 -21.483 29.969 1.00 0.00 C ATOM 773 C SER A 52 -19.908 -20.716 28.848 1.00 0.00 C ATOM 774 O SER A 52 -18.680 -20.604 28.852 1.00 0.00 O ATOM 775 CB SER A 52 -19.696 -21.858 31.120 1.00 0.00 C ATOM 776 OG SER A 52 -20.380 -22.560 32.152 1.00 0.00 O ATOM 0 H SER A 52 -20.841 -23.552 29.758 1.00 0.00 H new ATOM 0 HA SER A 52 -21.413 -20.801 30.341 1.00 0.00 H new ATOM 0 HB2 SER A 52 -18.883 -22.474 30.735 1.00 0.00 H new ATOM 0 HB3 SER A 52 -19.245 -20.954 31.530 1.00 0.00 H new ATOM 0 HG SER A 52 -19.749 -22.786 32.867 1.00 0.00 H new ATOM 782 N VAL A 53 -20.659 -20.212 27.861 1.00 0.00 N ATOM 783 CA VAL A 53 -20.150 -19.446 26.704 1.00 0.00 C ATOM 784 C VAL A 53 -19.374 -18.182 27.112 1.00 0.00 C ATOM 785 O VAL A 53 -19.646 -17.575 28.150 1.00 0.00 O ATOM 786 CB VAL A 53 -21.272 -19.059 25.708 1.00 0.00 C ATOM 787 CG1 VAL A 53 -21.820 -20.303 24.991 1.00 0.00 C ATOM 788 CG2 VAL A 53 -22.431 -18.291 26.372 1.00 0.00 C ATOM 0 H VAL A 53 -21.672 -20.327 27.840 1.00 0.00 H new ATOM 0 HA VAL A 53 -19.458 -20.125 26.207 1.00 0.00 H new ATOM 0 HB VAL A 53 -20.812 -18.389 24.982 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -22.606 -20.006 24.297 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -21.015 -20.790 24.440 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -22.228 -20.997 25.726 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -23.184 -18.049 25.622 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -22.879 -18.910 27.150 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -22.051 -17.370 26.815 1.00 0.00 H new ATOM 798 N LEU A 54 -18.416 -17.783 26.268 1.00 0.00 N ATOM 799 CA LEU A 54 -17.506 -16.655 26.493 1.00 0.00 C ATOM 800 C LEU A 54 -17.429 -15.702 25.286 1.00 0.00 C ATOM 801 O LEU A 54 -17.274 -14.494 25.471 1.00 0.00 O ATOM 802 CB LEU A 54 -16.120 -17.245 26.833 1.00 0.00 C ATOM 803 CG LEU A 54 -15.043 -16.218 27.247 1.00 0.00 C ATOM 804 CD1 LEU A 54 -15.437 -15.423 28.502 1.00 0.00 C ATOM 805 CD2 LEU A 54 -13.721 -16.953 27.506 1.00 0.00 C ATOM 0 H LEU A 54 -18.247 -18.253 25.379 1.00 0.00 H new ATOM 0 HA LEU A 54 -17.881 -16.045 27.315 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -16.240 -17.966 27.642 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.757 -17.797 25.966 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.938 -15.504 26.430 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.645 -14.716 28.748 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -16.363 -14.879 28.313 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.583 -16.109 29.336 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.956 -16.234 27.799 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.860 -17.681 28.306 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.407 -17.467 26.598 1.00 0.00 H new ATOM 817 N SER A 55 -17.564 -16.209 24.060 1.00 0.00 N ATOM 818 CA SER A 55 -17.568 -15.391 22.840 1.00 0.00 C ATOM 819 C SER A 55 -18.946 -14.761 22.609 1.00 0.00 C ATOM 820 O SER A 55 -19.086 -13.548 22.783 1.00 0.00 O ATOM 821 CB SER A 55 -17.086 -16.205 21.633 1.00 0.00 C ATOM 822 OG SER A 55 -15.739 -16.611 21.799 1.00 0.00 O ATOM 0 H SER A 55 -17.675 -17.207 23.881 1.00 0.00 H new ATOM 0 HA SER A 55 -16.862 -14.571 22.970 1.00 0.00 H new ATOM 0 HB2 SER A 55 -17.721 -17.082 21.505 1.00 0.00 H new ATOM 0 HB3 SER A 55 -17.180 -15.608 20.726 1.00 0.00 H new ATOM 0 HG SER A 55 -15.481 -17.199 21.059 1.00 0.00 H new ATOM 828 N ASN A 56 -19.951 -15.567 22.239 1.00 0.00 N ATOM 829 CA ASN A 56 -21.337 -15.211 21.893 1.00 0.00 C ATOM 830 C ASN A 56 -21.434 -14.343 20.623 1.00 0.00 C ATOM 831 O ASN A 56 -22.084 -14.720 19.649 1.00 0.00 O ATOM 832 CB ASN A 56 -22.048 -14.547 23.095 1.00 0.00 C ATOM 833 CG ASN A 56 -23.556 -14.357 22.904 1.00 0.00 C ATOM 834 OD1 ASN A 56 -24.146 -14.703 21.885 1.00 0.00 O ATOM 835 ND2 ASN A 56 -24.229 -13.797 23.894 1.00 0.00 N ATOM 0 H ASN A 56 -19.803 -16.574 22.167 1.00 0.00 H new ATOM 0 HA ASN A 56 -21.856 -16.141 21.660 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -21.879 -15.155 23.984 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -21.591 -13.575 23.282 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -25.235 -13.654 23.810 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -23.742 -13.508 24.742 1.00 0.00 H new ATOM 842 N SER A 57 -20.778 -13.187 20.627 1.00 0.00 N ATOM 843 CA SER A 57 -20.730 -12.185 19.557 1.00 0.00 C ATOM 844 C SER A 57 -19.268 -11.966 19.107 1.00 0.00 C ATOM 845 O SER A 57 -18.335 -12.399 19.791 1.00 0.00 O ATOM 846 CB SER A 57 -21.298 -10.859 20.101 1.00 0.00 C ATOM 847 OG SER A 57 -22.621 -11.020 20.595 1.00 0.00 O ATOM 0 H SER A 57 -20.225 -12.901 21.435 1.00 0.00 H new ATOM 0 HA SER A 57 -21.317 -12.528 18.705 1.00 0.00 H new ATOM 0 HB2 SER A 57 -20.654 -10.487 20.898 1.00 0.00 H new ATOM 0 HB3 SER A 57 -21.293 -10.109 19.310 1.00 0.00 H new ATOM 0 HG SER A 57 -22.950 -10.161 20.934 1.00 0.00 H new ATOM 853 N ALA A 58 -19.038 -11.257 17.992 1.00 0.00 N ATOM 854 CA ALA A 58 -17.686 -10.819 17.617 1.00 0.00 C ATOM 855 C ALA A 58 -17.193 -9.739 18.597 1.00 0.00 C ATOM 856 O ALA A 58 -18.017 -9.056 19.202 1.00 0.00 O ATOM 857 CB ALA A 58 -17.697 -10.319 16.168 1.00 0.00 C ATOM 0 H ALA A 58 -19.767 -10.976 17.337 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.990 -11.656 17.678 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.695 -9.994 15.888 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -18.015 -11.126 15.507 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -18.389 -9.482 16.077 1.00 0.00 H new ATOM 863 N GLU A 59 -15.878 -9.569 18.755 1.00 0.00 N ATOM 864 CA GLU A 59 -15.280 -8.716 19.797 1.00 0.00 C ATOM 865 C GLU A 59 -14.100 -7.909 19.240 1.00 0.00 C ATOM 866 O GLU A 59 -13.215 -8.495 18.615 1.00 0.00 O ATOM 867 CB GLU A 59 -14.840 -9.620 20.967 1.00 0.00 C ATOM 868 CG GLU A 59 -14.380 -8.868 22.221 1.00 0.00 C ATOM 869 CD GLU A 59 -14.183 -9.844 23.393 1.00 0.00 C ATOM 870 OE1 GLU A 59 -15.187 -10.412 23.885 1.00 0.00 O ATOM 871 OE2 GLU A 59 -13.022 -10.037 23.824 1.00 0.00 O ATOM 0 H GLU A 59 -15.187 -10.023 18.158 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.015 -7.992 20.150 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.670 -10.273 21.236 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.027 -10.262 20.626 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.447 -8.344 22.016 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.118 -8.112 22.490 1.00 0.00 H new ATOM 878 N VAL A 60 -14.068 -6.589 19.463 1.00 0.00 N ATOM 879 CA VAL A 60 -12.939 -5.726 19.054 1.00 0.00 C ATOM 880 C VAL A 60 -11.852 -5.729 20.139 1.00 0.00 C ATOM 881 O VAL A 60 -12.145 -5.485 21.310 1.00 0.00 O ATOM 882 CB VAL A 60 -13.350 -4.263 18.760 1.00 0.00 C ATOM 883 CG1 VAL A 60 -12.183 -3.510 18.090 1.00 0.00 C ATOM 884 CG2 VAL A 60 -14.566 -4.154 17.829 1.00 0.00 C ATOM 0 H VAL A 60 -14.821 -6.084 19.931 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.562 -6.148 18.123 1.00 0.00 H new ATOM 0 HB VAL A 60 -13.611 -3.826 19.724 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -12.482 -2.482 17.887 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -11.319 -3.512 18.755 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.922 -4.003 17.154 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.803 -3.103 17.662 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -14.338 -4.630 16.875 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -15.421 -4.651 18.288 1.00 0.00 H new ATOM 894 N LYS A 61 -10.600 -5.990 19.743 1.00 0.00 N ATOM 895 CA LYS A 61 -9.449 -6.248 20.629 1.00 0.00 C ATOM 896 C LYS A 61 -8.161 -5.525 20.146 1.00 0.00 C ATOM 897 O LYS A 61 -8.135 -4.945 19.054 1.00 0.00 O ATOM 898 CB LYS A 61 -9.264 -7.782 20.744 1.00 0.00 C ATOM 899 CG LYS A 61 -10.546 -8.499 21.214 1.00 0.00 C ATOM 900 CD LYS A 61 -10.396 -10.013 21.411 1.00 0.00 C ATOM 901 CE LYS A 61 -9.619 -10.452 22.660 1.00 0.00 C ATOM 902 NZ LYS A 61 -10.244 -9.975 23.927 1.00 0.00 N ATOM 0 H LYS A 61 -10.347 -6.030 18.756 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.647 -5.835 21.618 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.962 -8.182 19.776 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.455 -7.996 21.443 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.871 -8.054 22.154 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.336 -8.317 20.485 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.391 -10.455 21.452 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.899 -10.427 20.533 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.555 -11.540 22.679 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.598 -10.074 22.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.829 -10.485 24.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.071 -8.955 24.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.269 -10.151 23.896 1.00 0.00 H new ATOM 916 N ARG A 62 -7.110 -5.517 20.983 1.00 0.00 N ATOM 917 CA ARG A 62 -5.821 -4.824 20.753 1.00 0.00 C ATOM 918 C ARG A 62 -4.620 -5.776 20.917 1.00 0.00 C ATOM 919 O ARG A 62 -4.598 -6.593 21.839 1.00 0.00 O ATOM 920 CB ARG A 62 -5.699 -3.633 21.725 1.00 0.00 C ATOM 921 CG ARG A 62 -4.408 -2.806 21.555 1.00 0.00 C ATOM 922 CD ARG A 62 -4.401 -1.529 22.404 1.00 0.00 C ATOM 923 NE ARG A 62 -4.361 -1.827 23.851 1.00 0.00 N ATOM 924 CZ ARG A 62 -4.460 -0.947 24.844 1.00 0.00 C ATOM 925 NH1 ARG A 62 -4.617 0.343 24.623 1.00 0.00 N ATOM 926 NH2 ARG A 62 -4.399 -1.361 26.092 1.00 0.00 N ATOM 0 H ARG A 62 -7.131 -6.011 21.875 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.807 -4.463 19.725 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.558 -2.977 21.587 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.745 -4.007 22.748 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.550 -3.421 21.826 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.289 -2.539 20.505 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.538 -0.920 22.135 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.290 -0.939 22.180 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.246 -2.806 24.115 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.666 0.694 23.667 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.689 0.990 25.408 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.276 -2.353 26.295 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.474 -0.690 26.856 1.00 0.00 H new ATOM 940 N GLU A 63 -3.593 -5.591 20.080 1.00 0.00 N ATOM 941 CA GLU A 63 -2.330 -6.344 20.067 1.00 0.00 C ATOM 942 C GLU A 63 -1.198 -5.492 19.472 1.00 0.00 C ATOM 943 O GLU A 63 -1.423 -4.361 19.035 1.00 0.00 O ATOM 944 CB GLU A 63 -2.482 -7.623 19.216 1.00 0.00 C ATOM 945 CG GLU A 63 -3.210 -8.799 19.864 1.00 0.00 C ATOM 946 CD GLU A 63 -2.504 -9.388 21.101 1.00 0.00 C ATOM 947 OE1 GLU A 63 -1.306 -9.104 21.345 1.00 0.00 O ATOM 948 OE2 GLU A 63 -3.153 -10.172 21.836 1.00 0.00 O ATOM 0 H GLU A 63 -3.620 -4.875 19.354 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.086 -6.607 21.096 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.010 -7.360 18.299 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.486 -7.958 18.926 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.210 -8.476 20.152 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.332 -9.588 19.122 1.00 0.00 H new ATOM 955 N ARG A 64 0.015 -6.053 19.408 1.00 0.00 N ATOM 956 CA ARG A 64 1.165 -5.495 18.684 1.00 0.00 C ATOM 957 C ARG A 64 1.372 -6.240 17.354 1.00 0.00 C ATOM 958 O ARG A 64 1.252 -7.467 17.289 1.00 0.00 O ATOM 959 CB ARG A 64 2.421 -5.553 19.569 1.00 0.00 C ATOM 960 CG ARG A 64 2.248 -4.690 20.833 1.00 0.00 C ATOM 961 CD ARG A 64 3.526 -4.679 21.681 1.00 0.00 C ATOM 962 NE ARG A 64 3.327 -3.927 22.935 1.00 0.00 N ATOM 963 CZ ARG A 64 2.946 -4.409 24.115 1.00 0.00 C ATOM 964 NH1 ARG A 64 2.719 -5.691 24.315 1.00 0.00 N ATOM 965 NH2 ARG A 64 2.777 -3.587 25.127 1.00 0.00 N ATOM 0 H ARG A 64 0.231 -6.935 19.873 1.00 0.00 H new ATOM 0 HA ARG A 64 0.969 -4.449 18.448 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.621 -6.586 19.854 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.285 -5.205 19.003 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.990 -3.670 20.547 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.418 -5.074 21.427 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.822 -5.703 21.911 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.340 -4.232 21.111 1.00 0.00 H new ATOM 0 HE ARG A 64 3.501 -2.923 22.892 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.834 -6.355 23.549 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.428 -6.020 25.236 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.938 -2.587 25.004 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.485 -3.949 26.035 1.00 0.00 H new ATOM 979 N LEU A 65 1.712 -5.503 16.292 1.00 0.00 N ATOM 980 CA LEU A 65 1.832 -6.010 14.916 1.00 0.00 C ATOM 981 C LEU A 65 2.781 -7.209 14.837 1.00 0.00 C ATOM 982 O LEU A 65 2.402 -8.236 14.283 1.00 0.00 O ATOM 983 CB LEU A 65 2.297 -4.853 14.002 1.00 0.00 C ATOM 984 CG LEU A 65 2.383 -5.220 12.502 1.00 0.00 C ATOM 985 CD1 LEU A 65 0.985 -5.412 11.888 1.00 0.00 C ATOM 986 CD2 LEU A 65 3.131 -4.126 11.732 1.00 0.00 C ATOM 0 H LEU A 65 1.918 -4.507 16.365 1.00 0.00 H new ATOM 0 HA LEU A 65 0.860 -6.369 14.577 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.611 -4.015 14.120 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.277 -4.512 14.337 1.00 0.00 H new ATOM 0 HG LEU A 65 2.926 -6.162 12.424 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.083 -5.669 10.833 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.465 -6.215 12.410 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.415 -4.488 11.985 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.185 -4.396 10.677 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.601 -3.179 11.838 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.140 -4.024 12.133 1.00 0.00 H new ATOM 998 N GLU A 66 3.970 -7.120 15.440 1.00 0.00 N ATOM 999 CA GLU A 66 4.988 -8.179 15.375 1.00 0.00 C ATOM 1000 C GLU A 66 4.509 -9.534 15.931 1.00 0.00 C ATOM 1001 O GLU A 66 4.873 -10.572 15.379 1.00 0.00 O ATOM 1002 CB GLU A 66 6.290 -7.718 16.054 1.00 0.00 C ATOM 1003 CG GLU A 66 6.180 -7.462 17.565 1.00 0.00 C ATOM 1004 CD GLU A 66 7.507 -6.934 18.126 1.00 0.00 C ATOM 1005 OE1 GLU A 66 8.360 -7.751 18.549 1.00 0.00 O ATOM 1006 OE2 GLU A 66 7.704 -5.697 18.155 1.00 0.00 O ATOM 0 H GLU A 66 4.257 -6.310 15.989 1.00 0.00 H new ATOM 0 HA GLU A 66 5.185 -8.355 14.317 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.058 -8.473 15.884 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.630 -6.803 15.570 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.385 -6.742 17.759 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.906 -8.385 18.076 1.00 0.00 H new ATOM 1013 N ASP A 67 3.641 -9.556 16.956 1.00 0.00 N ATOM 1014 CA ASP A 67 3.047 -10.808 17.449 1.00 0.00 C ATOM 1015 C ASP A 67 1.988 -11.316 16.466 1.00 0.00 C ATOM 1016 O ASP A 67 1.982 -12.493 16.109 1.00 0.00 O ATOM 1017 CB ASP A 67 2.441 -10.602 18.842 1.00 0.00 C ATOM 1018 CG ASP A 67 1.937 -11.934 19.426 1.00 0.00 C ATOM 1019 OD1 ASP A 67 0.825 -12.378 19.050 1.00 0.00 O ATOM 1020 OD2 ASP A 67 2.664 -12.539 20.249 1.00 0.00 O ATOM 0 H ASP A 67 3.336 -8.722 17.458 1.00 0.00 H new ATOM 0 HA ASP A 67 3.832 -11.560 17.528 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.188 -10.169 19.507 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.616 -9.892 18.783 1.00 0.00 H new ATOM 1025 N VAL A 68 1.126 -10.408 15.995 1.00 0.00 N ATOM 1026 CA VAL A 68 0.025 -10.701 15.057 1.00 0.00 C ATOM 1027 C VAL A 68 0.528 -11.185 13.689 1.00 0.00 C ATOM 1028 O VAL A 68 -0.109 -12.029 13.063 1.00 0.00 O ATOM 1029 CB VAL A 68 -0.930 -9.492 14.948 1.00 0.00 C ATOM 1030 CG1 VAL A 68 -2.055 -9.691 13.922 1.00 0.00 C ATOM 1031 CG2 VAL A 68 -1.569 -9.240 16.322 1.00 0.00 C ATOM 0 H VAL A 68 1.172 -9.424 16.259 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.545 -11.535 15.465 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.330 -8.646 14.612 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.687 -8.803 13.898 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.622 -9.855 12.935 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.655 -10.556 14.203 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.246 -8.388 16.258 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.127 -10.124 16.632 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.789 -9.029 17.053 1.00 0.00 H new ATOM 1041 N VAL A 69 1.690 -10.695 13.257 1.00 0.00 N ATOM 1042 CA VAL A 69 2.365 -11.057 12.001 1.00 0.00 C ATOM 1043 C VAL A 69 3.305 -12.266 12.163 1.00 0.00 C ATOM 1044 O VAL A 69 3.588 -12.945 11.175 1.00 0.00 O ATOM 1045 CB VAL A 69 3.102 -9.811 11.456 1.00 0.00 C ATOM 1046 CG1 VAL A 69 4.050 -10.093 10.283 1.00 0.00 C ATOM 1047 CG2 VAL A 69 2.047 -8.777 11.019 1.00 0.00 C ATOM 0 H VAL A 69 2.214 -10.004 13.794 1.00 0.00 H new ATOM 0 HA VAL A 69 1.615 -11.375 11.277 1.00 0.00 H new ATOM 0 HB VAL A 69 3.733 -9.442 12.264 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.523 -9.164 9.966 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.817 -10.801 10.597 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.485 -10.515 9.452 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.546 -7.889 10.631 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.416 -9.207 10.241 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.431 -8.502 11.875 1.00 0.00 H new ATOM 1057 N GLY A 70 3.745 -12.595 13.387 1.00 0.00 N ATOM 1058 CA GLY A 70 4.596 -13.762 13.663 1.00 0.00 C ATOM 1059 C GLY A 70 3.927 -15.071 13.235 1.00 0.00 C ATOM 1060 O GLY A 70 2.865 -15.430 13.749 1.00 0.00 O ATOM 0 H GLY A 70 3.518 -12.053 14.221 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.545 -13.651 13.139 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.823 -13.802 14.728 1.00 0.00 H new ATOM 1064 N GLY A 71 4.531 -15.760 12.258 1.00 0.00 N ATOM 1065 CA GLY A 71 4.016 -17.009 11.676 1.00 0.00 C ATOM 1066 C GLY A 71 2.803 -16.842 10.746 1.00 0.00 C ATOM 1067 O GLY A 71 2.211 -17.847 10.350 1.00 0.00 O ATOM 0 H GLY A 71 5.411 -15.459 11.840 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.819 -17.490 11.118 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.743 -17.684 12.487 1.00 0.00 H new ATOM 1071 N CYS A 72 2.414 -15.602 10.418 1.00 0.00 N ATOM 1072 CA CYS A 72 1.176 -15.266 9.697 1.00 0.00 C ATOM 1073 C CYS A 72 1.447 -14.512 8.382 1.00 0.00 C ATOM 1074 O CYS A 72 2.334 -13.655 8.313 1.00 0.00 O ATOM 1075 CB CYS A 72 0.290 -14.389 10.604 1.00 0.00 C ATOM 1076 SG CYS A 72 -0.075 -15.257 12.162 1.00 0.00 S ATOM 0 H CYS A 72 2.969 -14.779 10.654 1.00 0.00 H new ATOM 0 HA CYS A 72 0.677 -16.202 9.444 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.795 -13.446 10.815 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -0.639 -14.145 10.090 1.00 0.00 H new ATOM 0 HG CYS A 72 1.012 -15.359 12.867 1.00 0.00 H new ATOM 1082 N CYS A 73 0.636 -14.790 7.358 1.00 0.00 N ATOM 1083 CA CYS A 73 0.604 -14.009 6.117 1.00 0.00 C ATOM 1084 C CYS A 73 -0.329 -12.798 6.291 1.00 0.00 C ATOM 1085 O CYS A 73 -1.291 -12.855 7.059 1.00 0.00 O ATOM 1086 CB CYS A 73 0.171 -14.913 4.943 1.00 0.00 C ATOM 1087 SG CYS A 73 1.346 -16.287 4.735 1.00 0.00 S ATOM 0 H CYS A 73 -0.022 -15.569 7.366 1.00 0.00 H new ATOM 0 HA CYS A 73 1.599 -13.628 5.888 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -0.829 -15.306 5.127 1.00 0.00 H new ATOM 0 HB3 CYS A 73 0.119 -14.328 4.025 1.00 0.00 H new ATOM 0 HG CYS A 73 0.965 -17.038 3.745 1.00 0.00 H new ATOM 1093 N TYR A 74 -0.079 -11.711 5.562 1.00 0.00 N ATOM 1094 CA TYR A 74 -0.892 -10.488 5.619 1.00 0.00 C ATOM 1095 C TYR A 74 -0.752 -9.615 4.361 1.00 0.00 C ATOM 1096 O TYR A 74 0.229 -9.746 3.627 1.00 0.00 O ATOM 1097 CB TYR A 74 -0.571 -9.683 6.895 1.00 0.00 C ATOM 1098 CG TYR A 74 0.783 -8.994 6.937 1.00 0.00 C ATOM 1099 CD1 TYR A 74 1.962 -9.743 7.112 1.00 0.00 C ATOM 1100 CD2 TYR A 74 0.864 -7.590 6.817 1.00 0.00 C ATOM 1101 CE1 TYR A 74 3.211 -9.099 7.162 1.00 0.00 C ATOM 1102 CE2 TYR A 74 2.110 -6.934 6.898 1.00 0.00 C ATOM 1103 CZ TYR A 74 3.290 -7.692 7.077 1.00 0.00 C ATOM 1104 OH TYR A 74 4.504 -7.081 7.121 1.00 0.00 O ATOM 0 H TYR A 74 0.701 -11.650 4.907 1.00 0.00 H new ATOM 0 HA TYR A 74 -1.935 -10.803 5.655 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -1.344 -8.925 7.024 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.638 -10.356 7.750 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.907 -10.817 7.208 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -0.036 -7.013 6.662 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.113 -9.683 7.266 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.162 -5.858 6.824 1.00 0.00 H new ATOM 0 HH TYR A 74 4.385 -6.111 7.049 1.00 0.00 H new ATOM 1114 N ARG A 75 -1.710 -8.705 4.143 1.00 0.00 N ATOM 1115 CA ARG A 75 -1.709 -7.689 3.075 1.00 0.00 C ATOM 1116 C ARG A 75 -2.353 -6.387 3.570 1.00 0.00 C ATOM 1117 O ARG A 75 -3.371 -6.431 4.254 1.00 0.00 O ATOM 1118 CB ARG A 75 -2.484 -8.200 1.836 1.00 0.00 C ATOM 1119 CG ARG A 75 -1.836 -9.370 1.074 1.00 0.00 C ATOM 1120 CD ARG A 75 -0.454 -9.016 0.507 1.00 0.00 C ATOM 1121 NE ARG A 75 0.129 -10.138 -0.248 1.00 0.00 N ATOM 1122 CZ ARG A 75 1.422 -10.332 -0.490 1.00 0.00 C ATOM 1123 NH1 ARG A 75 2.356 -9.522 -0.030 1.00 0.00 N ATOM 1124 NH2 ARG A 75 1.800 -11.364 -1.213 1.00 0.00 N ATOM 0 H ARG A 75 -2.543 -8.652 4.729 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.673 -7.497 2.797 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.480 -8.507 2.155 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.613 -7.368 1.144 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.741 -10.226 1.743 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.492 -9.674 0.258 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.540 -8.145 -0.143 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.214 -8.740 1.323 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.520 -10.831 -0.620 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.097 -8.712 0.534 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.338 -9.705 -0.238 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.103 -12.009 -1.584 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.790 -11.519 -1.402 1.00 0.00 H new ATOM 1138 N VAL A 76 -1.793 -5.232 3.209 1.00 0.00 N ATOM 1139 CA VAL A 76 -2.411 -3.914 3.472 1.00 0.00 C ATOM 1140 C VAL A 76 -3.476 -3.653 2.401 1.00 0.00 C ATOM 1141 O VAL A 76 -3.249 -3.949 1.227 1.00 0.00 O ATOM 1142 CB VAL A 76 -1.366 -2.771 3.498 1.00 0.00 C ATOM 1143 CG1 VAL A 76 -2.000 -1.389 3.750 1.00 0.00 C ATOM 1144 CG2 VAL A 76 -0.314 -3.033 4.590 1.00 0.00 C ATOM 0 H VAL A 76 -0.897 -5.174 2.725 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.868 -3.934 4.461 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.903 -2.758 2.512 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.221 -0.627 3.758 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.716 -1.167 2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.512 -1.394 4.712 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.414 -2.222 4.596 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.804 -3.088 5.562 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.195 -3.975 4.386 1.00 0.00 H new ATOM 1154 N ASN A 77 -4.630 -3.112 2.801 1.00 0.00 N ATOM 1155 CA ASN A 77 -5.770 -2.869 1.910 1.00 0.00 C ATOM 1156 C ASN A 77 -6.269 -1.413 1.961 1.00 0.00 C ATOM 1157 O ASN A 77 -6.349 -0.800 3.025 1.00 0.00 O ATOM 1158 CB ASN A 77 -6.904 -3.839 2.274 1.00 0.00 C ATOM 1159 CG ASN A 77 -8.044 -3.757 1.264 1.00 0.00 C ATOM 1160 OD1 ASN A 77 -8.935 -2.924 1.378 1.00 0.00 O ATOM 1161 ND2 ASN A 77 -8.006 -4.549 0.209 1.00 0.00 N ATOM 0 H ASN A 77 -4.802 -2.826 3.765 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.437 -3.042 0.887 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.518 -4.858 2.309 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.280 -3.606 3.270 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.720 -4.469 -0.515 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.263 -5.241 0.118 1.00 0.00 H new ATOM 1168 N ASN A 78 -6.665 -0.889 0.793 1.00 0.00 N ATOM 1169 CA ASN A 78 -7.230 0.455 0.614 1.00 0.00 C ATOM 1170 C ASN A 78 -8.439 0.434 -0.356 1.00 0.00 C ATOM 1171 O ASN A 78 -8.580 1.319 -1.192 1.00 0.00 O ATOM 1172 CB ASN A 78 -6.103 1.407 0.150 1.00 0.00 C ATOM 1173 CG ASN A 78 -5.012 1.583 1.205 1.00 0.00 C ATOM 1174 OD1 ASN A 78 -4.043 0.833 1.256 1.00 0.00 O ATOM 1175 ND2 ASN A 78 -5.136 2.572 2.072 1.00 0.00 N ATOM 0 H ASN A 78 -6.598 -1.407 -0.083 1.00 0.00 H new ATOM 0 HA ASN A 78 -7.623 0.824 1.561 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -5.658 1.018 -0.766 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.531 2.380 -0.091 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -4.424 2.715 2.788 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -5.944 3.193 2.025 1.00 0.00 H new ATOM 1182 N SER A 79 -9.307 -0.583 -0.288 1.00 0.00 N ATOM 1183 CA SER A 79 -10.368 -0.828 -1.293 1.00 0.00 C ATOM 1184 C SER A 79 -11.337 0.354 -1.471 1.00 0.00 C ATOM 1185 O SER A 79 -11.283 1.045 -2.491 1.00 0.00 O ATOM 1186 CB SER A 79 -11.098 -2.147 -0.982 1.00 0.00 C ATOM 1187 OG SER A 79 -12.069 -2.446 -1.975 1.00 0.00 O ATOM 0 H SER A 79 -9.299 -1.268 0.468 1.00 0.00 H new ATOM 0 HA SER A 79 -9.877 -0.925 -2.261 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.375 -2.960 -0.921 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.581 -2.077 -0.007 1.00 0.00 H new ATOM 0 HG SER A 79 -12.515 -3.290 -1.752 1.00 0.00 H new ATOM 1193 N LEU A 80 -12.175 0.651 -0.472 1.00 0.00 N ATOM 1194 CA LEU A 80 -13.045 1.838 -0.510 1.00 0.00 C ATOM 1195 C LEU A 80 -12.256 3.142 -0.315 1.00 0.00 C ATOM 1196 O LEU A 80 -12.625 4.194 -0.831 1.00 0.00 O ATOM 1197 CB LEU A 80 -14.168 1.692 0.533 1.00 0.00 C ATOM 1198 CG LEU A 80 -15.142 0.517 0.297 1.00 0.00 C ATOM 1199 CD1 LEU A 80 -16.330 0.662 1.260 1.00 0.00 C ATOM 1200 CD2 LEU A 80 -15.654 0.448 -1.152 1.00 0.00 C ATOM 0 H LEU A 80 -12.271 0.088 0.373 1.00 0.00 H new ATOM 0 HA LEU A 80 -13.493 1.901 -1.502 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -13.714 1.573 1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -14.742 2.618 0.556 1.00 0.00 H new ATOM 0 HG LEU A 80 -14.598 -0.409 0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -17.027 -0.162 1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -15.969 0.643 2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -16.838 1.608 1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -16.334 -0.397 -1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -16.181 1.371 -1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -14.810 0.322 -1.830 1.00 0.00 H new ATOM 1212 N ASP A 81 -11.122 3.067 0.379 1.00 0.00 N ATOM 1213 CA ASP A 81 -10.250 4.213 0.632 1.00 0.00 C ATOM 1214 C ASP A 81 -9.696 4.842 -0.660 1.00 0.00 C ATOM 1215 O ASP A 81 -9.713 6.064 -0.804 1.00 0.00 O ATOM 1216 CB ASP A 81 -9.138 3.736 1.571 1.00 0.00 C ATOM 1217 CG ASP A 81 -8.231 4.871 2.032 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -8.751 5.812 2.671 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -6.997 4.758 1.852 1.00 0.00 O ATOM 0 H ASP A 81 -10.778 2.198 0.787 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.822 5.015 1.098 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.584 3.256 2.442 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.538 2.980 1.063 1.00 0.00 H new ATOM 1224 N HIS A 82 -9.275 4.031 -1.635 1.00 0.00 N ATOM 1225 CA HIS A 82 -8.815 4.528 -2.936 1.00 0.00 C ATOM 1226 C HIS A 82 -9.975 4.906 -3.893 1.00 0.00 C ATOM 1227 O HIS A 82 -9.730 5.513 -4.939 1.00 0.00 O ATOM 1228 CB HIS A 82 -7.791 3.546 -3.549 1.00 0.00 C ATOM 1229 CG HIS A 82 -8.320 2.560 -4.567 1.00 0.00 C ATOM 1230 ND1 HIS A 82 -9.373 1.686 -4.417 1.00 0.00 N ATOM 1231 CD2 HIS A 82 -7.809 2.350 -5.822 1.00 0.00 C ATOM 1232 CE1 HIS A 82 -9.498 0.978 -5.551 1.00 0.00 C ATOM 1233 NE2 HIS A 82 -8.559 1.342 -6.446 1.00 0.00 N ATOM 0 H HIS A 82 -9.243 3.015 -1.546 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.298 5.474 -2.772 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.000 4.130 -4.020 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.331 2.983 -2.737 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -9.958 1.592 -3.587 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.970 2.873 -6.257 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -10.248 0.220 -5.722 1.00 0.00 H new ATOM 1241 N GLU A 83 -11.232 4.590 -3.537 1.00 0.00 N ATOM 1242 CA GLU A 83 -12.417 4.961 -4.323 1.00 0.00 C ATOM 1243 C GLU A 83 -12.894 6.396 -4.052 1.00 0.00 C ATOM 1244 O GLU A 83 -13.349 7.074 -4.979 1.00 0.00 O ATOM 1245 CB GLU A 83 -13.586 3.983 -4.080 1.00 0.00 C ATOM 1246 CG GLU A 83 -13.386 2.612 -4.735 1.00 0.00 C ATOM 1247 CD GLU A 83 -13.650 2.663 -6.247 1.00 0.00 C ATOM 1248 OE1 GLU A 83 -14.831 2.562 -6.659 1.00 0.00 O ATOM 1249 OE2 GLU A 83 -12.689 2.794 -7.041 1.00 0.00 O ATOM 0 H GLU A 83 -11.454 4.067 -2.690 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.103 4.903 -5.365 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.718 3.848 -3.007 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.506 4.427 -4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.368 2.267 -4.554 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.055 1.886 -4.273 1.00 0.00 H new ATOM 1256 N TYR A 84 -12.790 6.872 -2.804 1.00 0.00 N ATOM 1257 CA TYR A 84 -13.420 8.135 -2.380 1.00 0.00 C ATOM 1258 C TYR A 84 -12.470 9.292 -2.011 1.00 0.00 C ATOM 1259 O TYR A 84 -12.771 10.447 -2.322 1.00 0.00 O ATOM 1260 CB TYR A 84 -14.315 7.853 -1.160 1.00 0.00 C ATOM 1261 CG TYR A 84 -15.271 6.679 -1.237 1.00 0.00 C ATOM 1262 CD1 TYR A 84 -16.024 6.423 -2.401 1.00 0.00 C ATOM 1263 CD2 TYR A 84 -15.420 5.853 -0.107 1.00 0.00 C ATOM 1264 CE1 TYR A 84 -16.900 5.324 -2.439 1.00 0.00 C ATOM 1265 CE2 TYR A 84 -16.303 4.763 -0.133 1.00 0.00 C ATOM 1266 CZ TYR A 84 -17.040 4.487 -1.309 1.00 0.00 C ATOM 1267 OH TYR A 84 -17.884 3.421 -1.362 1.00 0.00 O ATOM 0 H TYR A 84 -12.272 6.399 -2.064 1.00 0.00 H new ATOM 0 HA TYR A 84 -13.966 8.477 -3.259 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -13.666 7.700 -0.298 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -14.902 8.750 -0.962 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -15.928 7.069 -3.261 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -14.850 6.060 0.787 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -17.468 5.119 -3.335 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -16.420 4.138 0.740 1.00 0.00 H new ATOM 0 HH TYR A 84 -17.866 2.946 -0.505 1.00 0.00 H new ATOM 1277 N GLN A 85 -11.408 9.028 -1.234 1.00 0.00 N ATOM 1278 CA GLN A 85 -11.097 9.898 -0.086 1.00 0.00 C ATOM 1279 C GLN A 85 -9.598 10.163 0.191 1.00 0.00 C ATOM 1280 O GLN A 85 -8.753 9.323 -0.130 1.00 0.00 O ATOM 1281 CB GLN A 85 -11.753 9.273 1.164 1.00 0.00 C ATOM 1282 CG GLN A 85 -11.305 7.826 1.458 1.00 0.00 C ATOM 1283 CD GLN A 85 -12.042 7.190 2.633 1.00 0.00 C ATOM 1284 OE1 GLN A 85 -13.246 7.323 2.801 1.00 0.00 O ATOM 1285 NE2 GLN A 85 -11.366 6.445 3.475 1.00 0.00 N ATOM 0 H GLN A 85 -10.768 8.246 -1.371 1.00 0.00 H new ATOM 0 HA GLN A 85 -11.494 10.882 -0.336 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -11.525 9.895 2.030 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -12.836 9.288 1.038 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.462 7.217 0.568 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.235 7.820 1.664 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.361 6.321 3.353 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.845 5.990 4.252 1.00 0.00 H new ATOM 1294 N PRO A 86 -9.272 11.302 0.851 1.00 0.00 N ATOM 1295 CA PRO A 86 -7.942 11.604 1.380 1.00 0.00 C ATOM 1296 C PRO A 86 -7.715 11.049 2.802 1.00 0.00 C ATOM 1297 O PRO A 86 -6.557 10.892 3.189 1.00 0.00 O ATOM 1298 CB PRO A 86 -7.870 13.133 1.386 1.00 0.00 C ATOM 1299 CG PRO A 86 -9.304 13.546 1.714 1.00 0.00 C ATOM 1300 CD PRO A 86 -10.135 12.474 1.006 1.00 0.00 C ATOM 0 HA PRO A 86 -7.169 11.136 0.771 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.164 13.500 2.131 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -7.548 13.525 0.421 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.487 13.555 2.789 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.532 14.545 1.343 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -11.022 12.226 1.588 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -10.480 12.831 0.036 1.00 0.00 H new ATOM 1308 N ARG A 87 -8.794 10.767 3.567 1.00 0.00 N ATOM 1309 CA ARG A 87 -8.833 10.145 4.897 1.00 0.00 C ATOM 1310 C ARG A 87 -8.268 11.013 6.056 1.00 0.00 C ATOM 1311 O ARG A 87 -7.065 11.287 6.092 1.00 0.00 O ATOM 1312 CB ARG A 87 -8.205 8.744 4.819 1.00 0.00 C ATOM 1313 CG ARG A 87 -8.210 8.011 6.169 1.00 0.00 C ATOM 1314 CD ARG A 87 -8.200 6.485 6.015 1.00 0.00 C ATOM 1315 NE ARG A 87 -7.244 6.024 4.994 1.00 0.00 N ATOM 1316 CZ ARG A 87 -5.995 5.600 5.129 1.00 0.00 C ATOM 1317 NH1 ARG A 87 -5.363 5.526 6.275 1.00 0.00 N ATOM 1318 NH2 ARG A 87 -5.344 5.208 4.065 1.00 0.00 N ATOM 0 H ARG A 87 -9.733 10.989 3.237 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.883 10.052 5.174 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.748 8.148 4.086 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.179 8.831 4.462 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.340 8.319 6.748 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -9.092 8.309 6.736 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.951 6.029 6.973 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -9.201 6.144 5.750 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.597 6.032 4.037 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.834 5.805 7.136 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.401 5.190 6.306 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.798 5.232 3.152 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.382 4.878 4.148 1.00 0.00 H new ATOM 1332 N PRO A 88 -9.100 11.380 7.062 1.00 0.00 N ATOM 1333 CA PRO A 88 -8.646 12.005 8.305 1.00 0.00 C ATOM 1334 C PRO A 88 -8.048 10.916 9.211 1.00 0.00 C ATOM 1335 O PRO A 88 -8.743 10.278 9.997 1.00 0.00 O ATOM 1336 CB PRO A 88 -9.890 12.692 8.882 1.00 0.00 C ATOM 1337 CG PRO A 88 -11.040 11.797 8.423 1.00 0.00 C ATOM 1338 CD PRO A 88 -10.557 11.270 7.074 1.00 0.00 C ATOM 0 HA PRO A 88 -7.856 12.746 8.180 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -9.843 12.759 9.969 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.998 13.709 8.504 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -11.226 10.987 9.128 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -11.971 12.356 8.327 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.865 10.234 6.933 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -10.993 11.846 6.258 1.00 0.00 H new ATOM 1346 N VAL A 89 -6.744 10.664 9.051 1.00 0.00 N ATOM 1347 CA VAL A 89 -6.030 9.522 9.660 1.00 0.00 C ATOM 1348 C VAL A 89 -6.136 9.496 11.190 1.00 0.00 C ATOM 1349 O VAL A 89 -6.326 8.426 11.765 1.00 0.00 O ATOM 1350 CB VAL A 89 -4.555 9.504 9.174 1.00 0.00 C ATOM 1351 CG1 VAL A 89 -3.582 8.762 10.101 1.00 0.00 C ATOM 1352 CG2 VAL A 89 -4.505 8.876 7.769 1.00 0.00 C ATOM 0 H VAL A 89 -6.138 11.257 8.484 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.519 8.607 9.325 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.221 10.541 9.169 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.577 8.802 9.681 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.584 9.234 11.083 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.894 7.722 10.198 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.474 8.857 7.415 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.893 7.858 7.811 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.113 9.468 7.084 1.00 0.00 H new ATOM 1362 N GLU A 90 -6.078 10.653 11.853 1.00 0.00 N ATOM 1363 CA GLU A 90 -6.219 10.737 13.311 1.00 0.00 C ATOM 1364 C GLU A 90 -7.647 10.395 13.765 1.00 0.00 C ATOM 1365 O GLU A 90 -7.812 9.662 14.737 1.00 0.00 O ATOM 1366 CB GLU A 90 -5.707 12.087 13.856 1.00 0.00 C ATOM 1367 CG GLU A 90 -6.619 13.307 13.693 1.00 0.00 C ATOM 1368 CD GLU A 90 -6.866 13.671 12.228 1.00 0.00 C ATOM 1369 OE1 GLU A 90 -7.734 13.016 11.605 1.00 0.00 O ATOM 1370 OE2 GLU A 90 -6.174 14.571 11.693 1.00 0.00 O ATOM 0 H GLU A 90 -5.933 11.555 11.399 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.577 9.975 13.753 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.498 11.963 14.918 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.758 12.309 13.368 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.574 13.108 14.179 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.172 14.160 14.204 1.00 0.00 H new ATOM 1377 N VAL A 91 -8.678 10.822 13.026 1.00 0.00 N ATOM 1378 CA VAL A 91 -10.076 10.418 13.276 1.00 0.00 C ATOM 1379 C VAL A 91 -10.264 8.904 13.079 1.00 0.00 C ATOM 1380 O VAL A 91 -10.973 8.283 13.871 1.00 0.00 O ATOM 1381 CB VAL A 91 -11.071 11.224 12.403 1.00 0.00 C ATOM 1382 CG1 VAL A 91 -12.509 10.672 12.438 1.00 0.00 C ATOM 1383 CG2 VAL A 91 -11.117 12.695 12.851 1.00 0.00 C ATOM 0 H VAL A 91 -8.571 11.458 12.236 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.297 10.649 14.318 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.698 11.133 11.383 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -13.150 11.285 11.805 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -12.514 9.645 12.073 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -12.883 10.694 13.462 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -11.821 13.244 12.226 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.437 12.749 13.891 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -10.125 13.136 12.754 1.00 0.00 H new ATOM 1393 N ILE A 92 -9.609 8.285 12.084 1.00 0.00 N ATOM 1394 CA ILE A 92 -9.686 6.821 11.873 1.00 0.00 C ATOM 1395 C ILE A 92 -9.060 6.075 13.066 1.00 0.00 C ATOM 1396 O ILE A 92 -9.671 5.162 13.622 1.00 0.00 O ATOM 1397 CB ILE A 92 -9.016 6.409 10.537 1.00 0.00 C ATOM 1398 CG1 ILE A 92 -9.535 7.135 9.271 1.00 0.00 C ATOM 1399 CG2 ILE A 92 -9.114 4.886 10.314 1.00 0.00 C ATOM 1400 CD1 ILE A 92 -10.958 7.709 9.245 1.00 0.00 C ATOM 0 H ILE A 92 -9.018 8.772 11.410 1.00 0.00 H new ATOM 0 HA ILE A 92 -10.737 6.540 11.808 1.00 0.00 H new ATOM 0 HB ILE A 92 -7.980 6.724 10.662 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -8.850 7.957 9.065 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.452 6.435 8.439 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.636 4.625 9.370 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.613 4.366 11.130 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -10.162 4.589 10.284 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -11.143 8.179 8.279 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -11.677 6.905 9.401 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -11.066 8.451 10.036 1.00 0.00 H new ATOM 1412 N ILE A 93 -7.865 6.503 13.493 1.00 0.00 N ATOM 1413 CA ILE A 93 -7.160 5.958 14.672 1.00 0.00 C ATOM 1414 C ILE A 93 -7.985 6.171 15.953 1.00 0.00 C ATOM 1415 O ILE A 93 -8.085 5.267 16.779 1.00 0.00 O ATOM 1416 CB ILE A 93 -5.737 6.577 14.762 1.00 0.00 C ATOM 1417 CG1 ILE A 93 -4.861 6.060 13.594 1.00 0.00 C ATOM 1418 CG2 ILE A 93 -5.067 6.268 16.116 1.00 0.00 C ATOM 1419 CD1 ILE A 93 -3.528 6.801 13.421 1.00 0.00 C ATOM 0 H ILE A 93 -7.349 7.248 13.026 1.00 0.00 H new ATOM 0 HA ILE A 93 -7.044 4.880 14.562 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.835 7.660 14.685 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.656 5.001 13.752 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.429 6.140 12.667 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -4.074 6.717 16.141 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.672 6.680 16.924 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.980 5.189 16.241 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.980 6.373 12.581 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.721 7.856 13.229 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.935 6.700 14.330 1.00 0.00 H new ATOM 1431 N SER A 94 -8.614 7.333 16.107 1.00 0.00 N ATOM 1432 CA SER A 94 -9.484 7.635 17.246 1.00 0.00 C ATOM 1433 C SER A 94 -10.711 6.709 17.276 1.00 0.00 C ATOM 1434 O SER A 94 -11.038 6.158 18.324 1.00 0.00 O ATOM 1435 CB SER A 94 -9.896 9.115 17.207 1.00 0.00 C ATOM 1436 OG SER A 94 -10.570 9.503 18.395 1.00 0.00 O ATOM 0 H SER A 94 -8.535 8.100 15.440 1.00 0.00 H new ATOM 0 HA SER A 94 -8.929 7.453 18.167 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.011 9.736 17.071 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.543 9.290 16.347 1.00 0.00 H new ATOM 0 HG SER A 94 -10.816 10.450 18.337 1.00 0.00 H new ATOM 1442 N SER A 95 -11.349 6.453 16.126 1.00 0.00 N ATOM 1443 CA SER A 95 -12.474 5.518 16.030 1.00 0.00 C ATOM 1444 C SER A 95 -12.092 4.099 16.483 1.00 0.00 C ATOM 1445 O SER A 95 -12.840 3.460 17.226 1.00 0.00 O ATOM 1446 CB SER A 95 -13.027 5.484 14.594 1.00 0.00 C ATOM 1447 OG SER A 95 -14.317 4.890 14.594 1.00 0.00 O ATOM 0 H SER A 95 -11.099 6.888 15.238 1.00 0.00 H new ATOM 0 HA SER A 95 -13.249 5.880 16.706 1.00 0.00 H new ATOM 0 HB2 SER A 95 -13.081 6.495 14.190 1.00 0.00 H new ATOM 0 HB3 SER A 95 -12.355 4.919 13.948 1.00 0.00 H new ATOM 0 HG SER A 95 -14.492 4.488 13.717 1.00 0.00 H new ATOM 1453 N ALA A 96 -10.892 3.629 16.118 1.00 0.00 N ATOM 1454 CA ALA A 96 -10.358 2.343 16.567 1.00 0.00 C ATOM 1455 C ALA A 96 -10.137 2.311 18.090 1.00 0.00 C ATOM 1456 O ALA A 96 -10.673 1.442 18.784 1.00 0.00 O ATOM 1457 CB ALA A 96 -9.073 2.069 15.767 1.00 0.00 C ATOM 0 H ALA A 96 -10.262 4.137 15.498 1.00 0.00 H new ATOM 0 HA ALA A 96 -11.077 1.546 16.377 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.647 1.115 16.078 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -9.308 2.032 14.703 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.352 2.865 15.952 1.00 0.00 H new ATOM 1463 N LYS A 97 -9.413 3.298 18.630 1.00 0.00 N ATOM 1464 CA LYS A 97 -9.168 3.436 20.072 1.00 0.00 C ATOM 1465 C LYS A 97 -10.453 3.688 20.895 1.00 0.00 C ATOM 1466 O LYS A 97 -10.478 3.373 22.087 1.00 0.00 O ATOM 1467 CB LYS A 97 -8.145 4.557 20.314 1.00 0.00 C ATOM 1468 CG LYS A 97 -6.733 4.251 19.782 1.00 0.00 C ATOM 1469 CD LYS A 97 -5.807 5.442 20.083 1.00 0.00 C ATOM 1470 CE LYS A 97 -4.366 5.156 19.638 1.00 0.00 C ATOM 1471 NZ LYS A 97 -3.452 6.285 19.976 1.00 0.00 N ATOM 0 H LYS A 97 -8.976 4.032 18.073 1.00 0.00 H new ATOM 0 HA LYS A 97 -8.772 2.482 20.421 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.507 5.471 19.844 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.083 4.752 21.385 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -6.344 3.346 20.249 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -6.769 4.066 18.708 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -6.177 6.331 19.573 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.824 5.657 21.151 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.011 4.244 20.117 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.345 4.980 18.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.487 6.057 19.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.777 7.150 19.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.453 6.437 21.005 1.00 0.00 H new ATOM 1485 N GLU A 98 -11.524 4.205 20.284 1.00 0.00 N ATOM 1486 CA GLU A 98 -12.852 4.298 20.892 1.00 0.00 C ATOM 1487 C GLU A 98 -13.600 2.957 20.870 1.00 0.00 C ATOM 1488 O GLU A 98 -14.112 2.533 21.906 1.00 0.00 O ATOM 1489 CB GLU A 98 -13.708 5.386 20.222 1.00 0.00 C ATOM 1490 CG GLU A 98 -13.327 6.803 20.669 1.00 0.00 C ATOM 1491 CD GLU A 98 -14.302 7.851 20.108 1.00 0.00 C ATOM 1492 OE1 GLU A 98 -14.436 7.975 18.867 1.00 0.00 O ATOM 1493 OE2 GLU A 98 -14.949 8.565 20.912 1.00 0.00 O ATOM 0 H GLU A 98 -11.490 4.577 19.335 1.00 0.00 H new ATOM 0 HA GLU A 98 -12.688 4.574 21.934 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -13.601 5.311 19.140 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -14.759 5.208 20.452 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -13.323 6.854 21.758 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -12.315 7.031 20.336 1.00 0.00 H new ATOM 1500 N MET A 99 -13.673 2.286 19.712 1.00 0.00 N ATOM 1501 CA MET A 99 -14.528 1.099 19.544 1.00 0.00 C ATOM 1502 C MET A 99 -13.895 -0.208 20.027 1.00 0.00 C ATOM 1503 O MET A 99 -14.599 -1.201 20.192 1.00 0.00 O ATOM 1504 CB MET A 99 -15.103 1.009 18.125 1.00 0.00 C ATOM 1505 CG MET A 99 -14.275 0.247 17.082 1.00 0.00 C ATOM 1506 SD MET A 99 -15.120 0.060 15.486 1.00 0.00 S ATOM 1507 CE MET A 99 -16.502 -1.030 15.936 1.00 0.00 C ATOM 0 H MET A 99 -13.150 2.544 18.875 1.00 0.00 H new ATOM 0 HA MET A 99 -15.372 1.244 20.219 1.00 0.00 H new ATOM 0 HB2 MET A 99 -16.084 0.539 18.187 1.00 0.00 H new ATOM 0 HB3 MET A 99 -15.258 2.024 17.758 1.00 0.00 H new ATOM 0 HG2 MET A 99 -13.331 0.770 16.926 1.00 0.00 H new ATOM 0 HG3 MET A 99 -14.031 -0.741 17.474 1.00 0.00 H new ATOM 0 HE1 MET A 99 -16.613 -1.807 15.180 1.00 0.00 H new ATOM 0 HE2 MET A 99 -16.302 -1.491 16.903 1.00 0.00 H new ATOM 0 HE3 MET A 99 -17.421 -0.447 15.995 1.00 0.00 H new ATOM 1517 N VAL A 100 -12.588 -0.234 20.273 1.00 0.00 N ATOM 1518 CA VAL A 100 -11.942 -1.368 20.951 1.00 0.00 C ATOM 1519 C VAL A 100 -12.618 -1.632 22.306 1.00 0.00 C ATOM 1520 O VAL A 100 -12.787 -0.730 23.129 1.00 0.00 O ATOM 1521 CB VAL A 100 -10.412 -1.227 21.051 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -9.935 -0.053 21.916 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -9.786 -2.539 21.543 1.00 0.00 C ATOM 0 H VAL A 100 -11.948 0.517 20.014 1.00 0.00 H new ATOM 0 HA VAL A 100 -12.089 -2.252 20.330 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.073 -1.003 20.040 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.845 -0.030 21.930 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -10.312 0.882 21.501 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -10.308 -0.175 22.933 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.704 -2.424 21.609 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -10.185 -2.786 22.527 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -10.024 -3.340 20.843 1.00 0.00 H new ATOM 1533 N GLY A 101 -13.056 -2.882 22.484 1.00 0.00 N ATOM 1534 CA GLY A 101 -13.911 -3.334 23.588 1.00 0.00 C ATOM 1535 C GLY A 101 -15.397 -3.473 23.221 1.00 0.00 C ATOM 1536 O GLY A 101 -16.155 -4.018 24.020 1.00 0.00 O ATOM 0 H GLY A 101 -12.816 -3.636 21.840 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -13.545 -4.297 23.945 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.817 -2.631 24.416 1.00 0.00 H new ATOM 1540 N GLN A 102 -15.830 -3.027 22.032 1.00 0.00 N ATOM 1541 CA GLN A 102 -17.168 -3.299 21.506 1.00 0.00 C ATOM 1542 C GLN A 102 -17.308 -4.772 21.113 1.00 0.00 C ATOM 1543 O GLN A 102 -16.344 -5.449 20.733 1.00 0.00 O ATOM 1544 CB GLN A 102 -17.488 -2.426 20.273 1.00 0.00 C ATOM 1545 CG GLN A 102 -17.729 -0.938 20.567 1.00 0.00 C ATOM 1546 CD GLN A 102 -19.024 -0.703 21.348 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -19.034 -0.565 22.566 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -20.168 -0.675 20.692 1.00 0.00 N ATOM 0 H GLN A 102 -15.254 -2.463 21.407 1.00 0.00 H new ATOM 0 HA GLN A 102 -17.873 -3.058 22.302 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -16.664 -2.511 19.565 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -18.373 -2.830 19.782 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -16.888 -0.541 21.135 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -17.768 -0.386 19.628 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -20.178 -0.788 19.678 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -21.043 -0.540 21.198 1.00 0.00 H new ATOM 1557 N LYS A 103 -18.561 -5.227 21.153 1.00 0.00 N ATOM 1558 CA LYS A 103 -19.004 -6.521 20.630 1.00 0.00 C ATOM 1559 C LYS A 103 -20.199 -6.371 19.671 1.00 0.00 C ATOM 1560 O LYS A 103 -21.083 -5.542 19.908 1.00 0.00 O ATOM 1561 CB LYS A 103 -19.338 -7.474 21.795 1.00 0.00 C ATOM 1562 CG LYS A 103 -18.098 -7.728 22.669 1.00 0.00 C ATOM 1563 CD LYS A 103 -18.296 -8.784 23.759 1.00 0.00 C ATOM 1564 CE LYS A 103 -18.476 -10.194 23.167 1.00 0.00 C ATOM 1565 NZ LYS A 103 -17.897 -11.235 24.058 1.00 0.00 N ATOM 0 H LYS A 103 -19.322 -4.686 21.564 1.00 0.00 H new ATOM 0 HA LYS A 103 -18.187 -6.951 20.050 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -20.135 -7.046 22.403 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -19.710 -8.420 21.401 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -17.273 -8.037 22.027 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -17.802 -6.790 23.139 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -17.437 -8.779 24.430 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -19.170 -8.528 24.358 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -19.537 -10.393 23.014 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -17.998 -10.243 22.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -18.152 -12.178 23.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -16.862 -11.140 24.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -18.272 -11.116 25.021 1.00 0.00 H new ATOM 1579 N MET A 104 -20.237 -7.171 18.597 1.00 0.00 N ATOM 1580 CA MET A 104 -21.206 -7.027 17.492 1.00 0.00 C ATOM 1581 C MET A 104 -21.724 -8.371 16.969 1.00 0.00 C ATOM 1582 O MET A 104 -21.006 -9.373 16.964 1.00 0.00 O ATOM 1583 CB MET A 104 -20.587 -6.231 16.328 1.00 0.00 C ATOM 1584 CG MET A 104 -20.203 -4.787 16.690 1.00 0.00 C ATOM 1585 SD MET A 104 -18.512 -4.549 17.303 1.00 0.00 S ATOM 1586 CE MET A 104 -17.626 -4.757 15.739 1.00 0.00 C ATOM 0 H MET A 104 -19.589 -7.948 18.466 1.00 0.00 H new ATOM 0 HA MET A 104 -22.057 -6.486 17.905 1.00 0.00 H new ATOM 0 HB2 MET A 104 -19.698 -6.755 15.976 1.00 0.00 H new ATOM 0 HB3 MET A 104 -21.294 -6.211 15.499 1.00 0.00 H new ATOM 0 HG2 MET A 104 -20.340 -4.162 15.807 1.00 0.00 H new ATOM 0 HG3 MET A 104 -20.898 -4.425 17.448 1.00 0.00 H new ATOM 0 HE1 MET A 104 -16.606 -4.389 15.847 1.00 0.00 H new ATOM 0 HE2 MET A 104 -17.604 -5.813 15.471 1.00 0.00 H new ATOM 0 HE3 MET A 104 -18.134 -4.194 14.956 1.00 0.00 H new ATOM 1596 N LYS A 105 -22.968 -8.381 16.484 1.00 0.00 N ATOM 1597 CA LYS A 105 -23.689 -9.569 15.991 1.00 0.00 C ATOM 1598 C LYS A 105 -24.776 -9.178 14.957 1.00 0.00 C ATOM 1599 O LYS A 105 -24.622 -8.173 14.262 1.00 0.00 O ATOM 1600 CB LYS A 105 -24.225 -10.345 17.221 1.00 0.00 C ATOM 1601 CG LYS A 105 -24.195 -11.865 17.004 1.00 0.00 C ATOM 1602 CD LYS A 105 -24.831 -12.608 18.184 1.00 0.00 C ATOM 1603 CE LYS A 105 -24.603 -14.112 18.004 1.00 0.00 C ATOM 1604 NZ LYS A 105 -25.180 -14.900 19.130 1.00 0.00 N ATOM 0 H LYS A 105 -23.527 -7.531 16.419 1.00 0.00 H new ATOM 0 HA LYS A 105 -23.023 -10.234 15.441 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -23.627 -10.093 18.097 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -25.247 -10.029 17.431 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -24.726 -12.114 16.086 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -23.164 -12.196 16.876 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -24.392 -12.270 19.123 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -25.898 -12.392 18.235 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -25.052 -14.438 17.066 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -23.534 -14.311 17.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -25.080 -15.916 18.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -24.676 -14.669 20.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -26.188 -14.666 19.237 1.00 0.00 H new ATOM 1618 N TYR A 106 -25.854 -9.965 14.828 1.00 0.00 N ATOM 1619 CA TYR A 106 -27.065 -9.754 14.003 1.00 0.00 C ATOM 1620 C TYR A 106 -26.828 -9.931 12.489 1.00 0.00 C ATOM 1621 O TYR A 106 -27.515 -10.722 11.840 1.00 0.00 O ATOM 1622 CB TYR A 106 -27.722 -8.399 14.326 1.00 0.00 C ATOM 1623 CG TYR A 106 -29.071 -8.201 13.659 1.00 0.00 C ATOM 1624 CD1 TYR A 106 -30.225 -8.787 14.212 1.00 0.00 C ATOM 1625 CD2 TYR A 106 -29.171 -7.445 12.473 1.00 0.00 C ATOM 1626 CE1 TYR A 106 -31.476 -8.622 13.588 1.00 0.00 C ATOM 1627 CE2 TYR A 106 -30.421 -7.270 11.843 1.00 0.00 C ATOM 1628 CZ TYR A 106 -31.577 -7.863 12.401 1.00 0.00 C ATOM 1629 OH TYR A 106 -32.787 -7.705 11.798 1.00 0.00 O ATOM 0 H TYR A 106 -25.911 -10.845 15.341 1.00 0.00 H new ATOM 0 HA TYR A 106 -27.760 -10.548 14.276 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -27.844 -8.313 15.406 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -27.052 -7.597 14.016 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -30.150 -9.367 15.120 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -28.286 -6.998 12.045 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -32.358 -9.075 14.016 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -30.495 -6.685 10.938 1.00 0.00 H new ATOM 0 HH TYR A 106 -32.682 -7.155 10.994 1.00 0.00 H new ATOM 1639 N SER A 107 -25.851 -9.224 11.923 1.00 0.00 N ATOM 1640 CA SER A 107 -25.391 -9.391 10.536 1.00 0.00 C ATOM 1641 C SER A 107 -24.653 -10.732 10.318 1.00 0.00 C ATOM 1642 O SER A 107 -24.185 -11.362 11.273 1.00 0.00 O ATOM 1643 CB SER A 107 -24.451 -8.227 10.160 1.00 0.00 C ATOM 1644 OG SER A 107 -25.021 -6.955 10.449 1.00 0.00 O ATOM 0 H SER A 107 -25.341 -8.498 12.426 1.00 0.00 H new ATOM 0 HA SER A 107 -26.275 -9.392 9.898 1.00 0.00 H new ATOM 0 HB2 SER A 107 -23.511 -8.333 10.702 1.00 0.00 H new ATOM 0 HB3 SER A 107 -24.214 -8.283 9.098 1.00 0.00 H new ATOM 0 HG SER A 107 -24.390 -6.249 10.196 1.00 0.00 H new ATOM 1650 N ILE A 108 -24.496 -11.159 9.054 1.00 0.00 N ATOM 1651 CA ILE A 108 -23.631 -12.303 8.692 1.00 0.00 C ATOM 1652 C ILE A 108 -22.166 -11.984 9.043 1.00 0.00 C ATOM 1653 O ILE A 108 -21.741 -10.841 8.894 1.00 0.00 O ATOM 1654 CB ILE A 108 -23.858 -12.696 7.206 1.00 0.00 C ATOM 1655 CG1 ILE A 108 -23.227 -14.074 6.899 1.00 0.00 C ATOM 1656 CG2 ILE A 108 -23.355 -11.616 6.224 1.00 0.00 C ATOM 1657 CD1 ILE A 108 -23.606 -14.640 5.524 1.00 0.00 C ATOM 0 H ILE A 108 -24.961 -10.726 8.256 1.00 0.00 H new ATOM 0 HA ILE A 108 -23.898 -13.183 9.277 1.00 0.00 H new ATOM 0 HB ILE A 108 -24.935 -12.771 7.057 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -22.142 -13.987 6.959 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -23.533 -14.782 7.669 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -23.538 -11.942 5.200 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -23.885 -10.682 6.408 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -22.286 -11.461 6.370 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -23.124 -15.608 5.384 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -24.688 -14.761 5.466 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -23.275 -13.954 4.744 1.00 0.00 H new ATOM 1669 N VAL A 109 -21.377 -12.967 9.488 1.00 0.00 N ATOM 1670 CA VAL A 109 -20.031 -12.724 10.068 1.00 0.00 C ATOM 1671 C VAL A 109 -19.045 -12.018 9.115 1.00 0.00 C ATOM 1672 O VAL A 109 -18.188 -11.261 9.560 1.00 0.00 O ATOM 1673 CB VAL A 109 -19.440 -14.015 10.684 1.00 0.00 C ATOM 1674 CG1 VAL A 109 -18.798 -14.950 9.643 1.00 0.00 C ATOM 1675 CG2 VAL A 109 -18.455 -13.688 11.816 1.00 0.00 C ATOM 0 H VAL A 109 -21.641 -13.952 9.461 1.00 0.00 H new ATOM 0 HA VAL A 109 -20.184 -12.009 10.876 1.00 0.00 H new ATOM 0 HB VAL A 109 -20.283 -14.563 11.104 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -18.404 -15.835 10.143 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -19.548 -15.250 8.912 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -17.986 -14.428 9.136 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -18.056 -14.614 12.230 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -17.637 -13.084 11.423 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -18.972 -13.134 12.599 1.00 0.00 H new ATOM 1685 N SER A 110 -19.210 -12.186 7.797 1.00 0.00 N ATOM 1686 CA SER A 110 -18.445 -11.426 6.792 1.00 0.00 C ATOM 1687 C SER A 110 -18.767 -9.923 6.869 1.00 0.00 C ATOM 1688 O SER A 110 -17.863 -9.094 7.028 1.00 0.00 O ATOM 1689 CB SER A 110 -18.728 -11.996 5.391 1.00 0.00 C ATOM 1690 OG SER A 110 -17.924 -11.358 4.409 1.00 0.00 O ATOM 0 H SER A 110 -19.873 -12.849 7.395 1.00 0.00 H new ATOM 0 HA SER A 110 -17.380 -11.532 7.001 1.00 0.00 H new ATOM 0 HB2 SER A 110 -18.533 -13.068 5.385 1.00 0.00 H new ATOM 0 HB3 SER A 110 -19.782 -11.862 5.146 1.00 0.00 H new ATOM 0 HG SER A 110 -18.121 -11.738 3.528 1.00 0.00 H new ATOM 1696 N ARG A 111 -20.060 -9.560 6.892 1.00 0.00 N ATOM 1697 CA ARG A 111 -20.486 -8.172 7.104 1.00 0.00 C ATOM 1698 C ARG A 111 -20.196 -7.698 8.523 1.00 0.00 C ATOM 1699 O ARG A 111 -19.896 -6.529 8.690 1.00 0.00 O ATOM 1700 CB ARG A 111 -21.961 -7.967 6.719 1.00 0.00 C ATOM 1701 CG ARG A 111 -22.438 -6.498 6.809 1.00 0.00 C ATOM 1702 CD ARG A 111 -21.661 -5.456 5.980 1.00 0.00 C ATOM 1703 NE ARG A 111 -21.406 -5.853 4.585 1.00 0.00 N ATOM 1704 CZ ARG A 111 -22.254 -5.963 3.575 1.00 0.00 C ATOM 1705 NH1 ARG A 111 -23.559 -5.831 3.703 1.00 0.00 N ATOM 1706 NH2 ARG A 111 -21.743 -6.210 2.392 1.00 0.00 N ATOM 0 H ARG A 111 -20.831 -10.216 6.765 1.00 0.00 H new ATOM 0 HA ARG A 111 -19.891 -7.548 6.437 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -22.113 -8.326 5.701 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -22.584 -8.581 7.370 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -23.484 -6.462 6.503 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -22.401 -6.194 7.855 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -22.219 -4.520 5.982 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -20.707 -5.260 6.469 1.00 0.00 H new ATOM 0 HE ARG A 111 -20.435 -6.075 4.365 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -23.964 -5.633 4.618 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -24.164 -5.927 2.887 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -20.734 -6.308 2.283 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -22.355 -6.304 1.581 1.00 0.00 H new ATOM 1720 N ASN A 112 -20.170 -8.558 9.538 1.00 0.00 N ATOM 1721 CA ASN A 112 -19.725 -8.183 10.891 1.00 0.00 C ATOM 1722 C ASN A 112 -18.283 -7.621 10.870 1.00 0.00 C ATOM 1723 O ASN A 112 -18.012 -6.569 11.441 1.00 0.00 O ATOM 1724 CB ASN A 112 -19.893 -9.404 11.818 1.00 0.00 C ATOM 1725 CG ASN A 112 -19.912 -9.069 13.305 1.00 0.00 C ATOM 1726 OD1 ASN A 112 -19.455 -8.023 13.743 1.00 0.00 O ATOM 1727 ND2 ASN A 112 -20.442 -9.964 14.121 1.00 0.00 N ATOM 0 H ASN A 112 -20.455 -9.534 9.453 1.00 0.00 H new ATOM 0 HA ASN A 112 -20.341 -7.374 11.283 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -20.821 -9.915 11.561 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -19.080 -10.105 11.626 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -20.472 -9.785 15.125 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -20.821 -10.834 13.747 1.00 0.00 H new ATOM 1734 N CYS A 113 -17.385 -8.251 10.100 1.00 0.00 N ATOM 1735 CA CYS A 113 -15.998 -7.809 9.889 1.00 0.00 C ATOM 1736 C CYS A 113 -15.892 -6.570 8.962 1.00 0.00 C ATOM 1737 O CYS A 113 -15.214 -5.595 9.294 1.00 0.00 O ATOM 1738 CB CYS A 113 -15.200 -9.038 9.400 1.00 0.00 C ATOM 1739 SG CYS A 113 -13.621 -9.148 10.301 1.00 0.00 S ATOM 0 H CYS A 113 -17.609 -9.107 9.592 1.00 0.00 H new ATOM 0 HA CYS A 113 -15.565 -7.449 10.822 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -15.782 -9.946 9.556 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -15.013 -8.959 8.329 1.00 0.00 H new ATOM 0 HG CYS A 113 -12.956 -10.185 9.886 1.00 0.00 H new ATOM 1745 N GLU A 114 -16.618 -6.557 7.838 1.00 0.00 N ATOM 1746 CA GLU A 114 -16.652 -5.420 6.897 1.00 0.00 C ATOM 1747 C GLU A 114 -17.304 -4.162 7.507 1.00 0.00 C ATOM 1748 O GLU A 114 -16.789 -3.055 7.367 1.00 0.00 O ATOM 1749 CB GLU A 114 -17.360 -5.872 5.607 1.00 0.00 C ATOM 1750 CG GLU A 114 -17.300 -4.837 4.479 1.00 0.00 C ATOM 1751 CD GLU A 114 -17.833 -5.424 3.159 1.00 0.00 C ATOM 1752 OE1 GLU A 114 -19.002 -5.879 3.125 1.00 0.00 O ATOM 1753 OE2 GLU A 114 -17.089 -5.415 2.150 1.00 0.00 O ATOM 0 H GLU A 114 -17.205 -7.340 7.549 1.00 0.00 H new ATOM 0 HA GLU A 114 -15.629 -5.124 6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -16.907 -6.801 5.261 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -18.404 -6.091 5.833 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -17.887 -3.961 4.754 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -16.272 -4.502 4.343 1.00 0.00 H new ATOM 1760 N HIS A 115 -18.400 -4.312 8.254 1.00 0.00 N ATOM 1761 CA HIS A 115 -19.042 -3.220 8.994 1.00 0.00 C ATOM 1762 C HIS A 115 -18.123 -2.707 10.117 1.00 0.00 C ATOM 1763 O HIS A 115 -18.066 -1.501 10.362 1.00 0.00 O ATOM 1764 CB HIS A 115 -20.393 -3.689 9.557 1.00 0.00 C ATOM 1765 CG HIS A 115 -21.198 -2.608 10.251 1.00 0.00 C ATOM 1766 ND1 HIS A 115 -22.039 -2.797 11.326 1.00 0.00 N ATOM 1767 CD2 HIS A 115 -21.262 -1.275 9.929 1.00 0.00 C ATOM 1768 CE1 HIS A 115 -22.585 -1.611 11.646 1.00 0.00 C ATOM 1769 NE2 HIS A 115 -22.139 -0.645 10.823 1.00 0.00 N ATOM 0 H HIS A 115 -18.874 -5.208 8.364 1.00 0.00 H new ATOM 0 HA HIS A 115 -19.222 -2.391 8.309 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -20.988 -4.100 8.742 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -20.215 -4.501 10.263 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -20.727 -0.793 9.124 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -23.286 -1.455 12.453 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -22.388 0.344 10.845 1.00 0.00 H new ATOM 1777 N PHE A 116 -17.363 -3.596 10.774 1.00 0.00 N ATOM 1778 CA PHE A 116 -16.314 -3.217 11.723 1.00 0.00 C ATOM 1779 C PHE A 116 -15.278 -2.302 11.051 1.00 0.00 C ATOM 1780 O PHE A 116 -15.137 -1.159 11.479 1.00 0.00 O ATOM 1781 CB PHE A 116 -15.698 -4.476 12.354 1.00 0.00 C ATOM 1782 CG PHE A 116 -14.288 -4.295 12.882 1.00 0.00 C ATOM 1783 CD1 PHE A 116 -14.066 -3.498 14.018 1.00 0.00 C ATOM 1784 CD2 PHE A 116 -13.195 -4.879 12.209 1.00 0.00 C ATOM 1785 CE1 PHE A 116 -12.759 -3.293 14.489 1.00 0.00 C ATOM 1786 CE2 PHE A 116 -11.888 -4.682 12.688 1.00 0.00 C ATOM 1787 CZ PHE A 116 -11.672 -3.896 13.834 1.00 0.00 C ATOM 0 H PHE A 116 -17.462 -4.605 10.658 1.00 0.00 H new ATOM 0 HA PHE A 116 -16.746 -2.635 12.537 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -16.338 -4.806 13.172 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -15.694 -5.273 11.611 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -14.901 -3.043 14.529 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -13.362 -5.478 11.326 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -12.589 -2.671 15.356 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -11.051 -5.134 12.177 1.00 0.00 H new ATOM 0 HZ PHE A 116 -10.670 -3.756 14.211 1.00 0.00 H new ATOM 1797 N VAL A 117 -14.616 -2.725 9.965 1.00 0.00 N ATOM 1798 CA VAL A 117 -13.620 -1.830 9.327 1.00 0.00 C ATOM 1799 C VAL A 117 -14.237 -0.574 8.708 1.00 0.00 C ATOM 1800 O VAL A 117 -13.569 0.455 8.699 1.00 0.00 O ATOM 1801 CB VAL A 117 -12.673 -2.502 8.313 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -11.668 -3.387 9.053 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -13.389 -3.271 7.195 1.00 0.00 C ATOM 0 H VAL A 117 -14.737 -3.635 9.521 1.00 0.00 H new ATOM 0 HA VAL A 117 -13.002 -1.537 10.176 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.144 -1.700 7.799 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.001 -3.860 8.333 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.084 -2.777 9.742 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -12.202 -4.155 9.612 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.650 -3.712 6.526 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -14.001 -4.060 7.631 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -14.025 -2.587 6.633 1.00 0.00 H new ATOM 1813 N THR A 118 -15.507 -0.598 8.276 1.00 0.00 N ATOM 1814 CA THR A 118 -16.212 0.622 7.824 1.00 0.00 C ATOM 1815 C THR A 118 -16.484 1.571 8.986 1.00 0.00 C ATOM 1816 O THR A 118 -16.356 2.766 8.783 1.00 0.00 O ATOM 1817 CB THR A 118 -17.489 0.322 7.031 1.00 0.00 C ATOM 1818 OG1 THR A 118 -17.224 -0.705 6.098 1.00 0.00 O ATOM 1819 CG2 THR A 118 -17.953 1.527 6.210 1.00 0.00 C ATOM 0 H THR A 118 -16.071 -1.447 8.228 1.00 0.00 H new ATOM 0 HA THR A 118 -15.537 1.124 7.130 1.00 0.00 H new ATOM 0 HB THR A 118 -18.255 0.048 7.757 1.00 0.00 H new ATOM 0 HG1 THR A 118 -17.115 -1.556 6.571 1.00 0.00 H new ATOM 0 HG21 THR A 118 -18.861 1.268 5.665 1.00 0.00 H new ATOM 0 HG22 THR A 118 -18.157 2.365 6.877 1.00 0.00 H new ATOM 0 HG23 THR A 118 -17.173 1.808 5.503 1.00 0.00 H new ATOM 1827 N GLN A 119 -16.748 1.083 10.202 1.00 0.00 N ATOM 1828 CA GLN A 119 -16.808 1.924 11.411 1.00 0.00 C ATOM 1829 C GLN A 119 -15.436 2.530 11.783 1.00 0.00 C ATOM 1830 O GLN A 119 -15.389 3.592 12.409 1.00 0.00 O ATOM 1831 CB GLN A 119 -17.409 1.138 12.585 1.00 0.00 C ATOM 1832 CG GLN A 119 -18.934 1.013 12.448 1.00 0.00 C ATOM 1833 CD GLN A 119 -19.480 -0.071 13.368 1.00 0.00 C ATOM 1834 OE1 GLN A 119 -20.011 0.178 14.445 1.00 0.00 O ATOM 1835 NE2 GLN A 119 -19.334 -1.319 12.980 1.00 0.00 N ATOM 0 H GLN A 119 -16.927 0.095 10.380 1.00 0.00 H new ATOM 0 HA GLN A 119 -17.463 2.766 11.185 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -16.963 0.145 12.627 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -17.165 1.637 13.523 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -19.403 1.967 12.687 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -19.192 0.781 11.415 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -18.892 -1.526 12.084 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -19.662 -2.080 13.575 1.00 0.00 H new ATOM 1844 N LEU A 120 -14.322 1.924 11.349 1.00 0.00 N ATOM 1845 CA LEU A 120 -12.991 2.536 11.465 1.00 0.00 C ATOM 1846 C LEU A 120 -12.791 3.665 10.439 1.00 0.00 C ATOM 1847 O LEU A 120 -12.631 4.817 10.842 1.00 0.00 O ATOM 1848 CB LEU A 120 -11.890 1.459 11.415 1.00 0.00 C ATOM 1849 CG LEU A 120 -12.051 0.346 12.475 1.00 0.00 C ATOM 1850 CD1 LEU A 120 -10.859 -0.607 12.387 1.00 0.00 C ATOM 1851 CD2 LEU A 120 -12.129 0.918 13.892 1.00 0.00 C ATOM 0 H LEU A 120 -14.317 1.003 10.911 1.00 0.00 H new ATOM 0 HA LEU A 120 -12.914 3.015 12.441 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -11.885 1.005 10.424 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -10.921 1.938 11.551 1.00 0.00 H new ATOM 0 HG LEU A 120 -12.983 -0.181 12.271 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -10.967 -1.395 13.133 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -10.821 -1.052 11.393 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -9.938 -0.055 12.573 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -12.242 0.103 14.607 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -11.215 1.470 14.112 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -12.985 1.588 13.967 1.00 0.00 H new ATOM 1863 N ARG A 121 -12.854 3.369 9.129 1.00 0.00 N ATOM 1864 CA ARG A 121 -12.732 4.367 8.037 1.00 0.00 C ATOM 1865 C ARG A 121 -13.967 5.288 7.877 1.00 0.00 C ATOM 1866 O ARG A 121 -14.006 6.126 6.975 1.00 0.00 O ATOM 1867 CB ARG A 121 -12.326 3.699 6.703 1.00 0.00 C ATOM 1868 CG ARG A 121 -13.399 2.753 6.145 1.00 0.00 C ATOM 1869 CD ARG A 121 -13.000 2.039 4.851 1.00 0.00 C ATOM 1870 NE ARG A 121 -14.019 1.017 4.526 1.00 0.00 N ATOM 1871 CZ ARG A 121 -13.842 -0.281 4.296 1.00 0.00 C ATOM 1872 NH1 ARG A 121 -12.648 -0.807 4.121 1.00 0.00 N ATOM 1873 NH2 ARG A 121 -14.888 -1.077 4.236 1.00 0.00 N ATOM 0 H ARG A 121 -12.993 2.418 8.788 1.00 0.00 H new ATOM 0 HA ARG A 121 -11.925 5.034 8.339 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -12.116 4.474 5.966 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -11.401 3.141 6.851 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -13.635 2.004 6.901 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -14.311 3.323 5.965 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -12.916 2.758 4.036 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -12.022 1.571 4.966 1.00 0.00 H new ATOM 0 HE ARG A 121 -14.981 1.351 4.471 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -11.819 -0.214 4.160 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -12.552 -1.807 3.947 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -15.826 -0.697 4.365 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -14.761 -2.074 4.060 1.00 0.00 H new ATOM 1887 N TYR A 122 -14.948 5.182 8.782 1.00 0.00 N ATOM 1888 CA TYR A 122 -16.221 5.921 8.807 1.00 0.00 C ATOM 1889 C TYR A 122 -16.017 7.451 8.732 1.00 0.00 C ATOM 1890 O TYR A 122 -16.889 8.200 8.290 1.00 0.00 O ATOM 1891 CB TYR A 122 -16.939 5.607 10.127 1.00 0.00 C ATOM 1892 CG TYR A 122 -18.447 5.757 10.091 1.00 0.00 C ATOM 1893 CD1 TYR A 122 -19.253 4.661 9.720 1.00 0.00 C ATOM 1894 CD2 TYR A 122 -19.051 6.975 10.464 1.00 0.00 C ATOM 1895 CE1 TYR A 122 -20.655 4.784 9.705 1.00 0.00 C ATOM 1896 CE2 TYR A 122 -20.453 7.106 10.450 1.00 0.00 C ATOM 1897 CZ TYR A 122 -21.260 6.009 10.067 1.00 0.00 C ATOM 1898 OH TYR A 122 -22.617 6.137 10.058 1.00 0.00 O ATOM 0 H TYR A 122 -14.871 4.537 9.568 1.00 0.00 H new ATOM 0 HA TYR A 122 -16.800 5.611 7.937 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -16.698 4.585 10.419 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -16.543 6.262 10.903 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -18.793 3.723 9.446 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -18.436 7.811 10.762 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -21.268 3.943 9.417 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -20.911 8.043 10.731 1.00 0.00 H new ATOM 0 HH TYR A 122 -22.862 7.045 10.335 1.00 0.00 H new ATOM 1908 N GLY A 123 -14.824 7.896 9.170 1.00 0.00 N ATOM 1909 CA GLY A 123 -14.325 9.275 9.159 1.00 0.00 C ATOM 1910 C GLY A 123 -14.428 9.979 7.805 1.00 0.00 C ATOM 1911 O GLY A 123 -14.511 11.206 7.772 1.00 0.00 O ATOM 0 H GLY A 123 -14.139 7.253 9.568 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -14.879 9.854 9.898 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -13.281 9.272 9.474 1.00 0.00 H new ATOM 1915 N LYS A 124 -14.459 9.220 6.701 1.00 0.00 N ATOM 1916 CA LYS A 124 -14.762 9.763 5.367 1.00 0.00 C ATOM 1917 C LYS A 124 -15.547 8.809 4.433 1.00 0.00 C ATOM 1918 O LYS A 124 -16.201 9.290 3.500 1.00 0.00 O ATOM 1919 CB LYS A 124 -13.435 10.265 4.753 1.00 0.00 C ATOM 1920 CG LYS A 124 -13.582 11.194 3.531 1.00 0.00 C ATOM 1921 CD LYS A 124 -14.405 12.464 3.803 1.00 0.00 C ATOM 1922 CE LYS A 124 -14.338 13.410 2.594 1.00 0.00 C ATOM 1923 NZ LYS A 124 -15.148 14.641 2.805 1.00 0.00 N ATOM 0 H LYS A 124 -14.276 8.217 6.706 1.00 0.00 H new ATOM 0 HA LYS A 124 -15.461 10.591 5.485 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -12.874 10.793 5.524 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -12.839 9.400 4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -12.589 11.484 3.187 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -14.050 10.637 2.719 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -15.442 12.197 4.008 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -14.025 12.969 4.691 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -13.300 13.686 2.407 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -14.695 12.889 1.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -15.076 15.252 1.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -16.143 14.380 2.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -14.792 15.152 3.638 1.00 0.00 H new ATOM 1937 N SER A 125 -15.544 7.492 4.693 1.00 0.00 N ATOM 1938 CA SER A 125 -16.295 6.485 3.907 1.00 0.00 C ATOM 1939 C SER A 125 -17.803 6.504 4.192 1.00 0.00 C ATOM 1940 O SER A 125 -18.590 6.534 3.218 1.00 0.00 O ATOM 1941 CB SER A 125 -15.743 5.085 4.156 1.00 0.00 C ATOM 1942 OG SER A 125 -14.383 5.074 3.775 1.00 0.00 O ATOM 1943 OXT SER A 125 -18.198 6.472 5.381 1.00 0.00 O ATOM 0 H SER A 125 -15.015 7.085 5.464 1.00 0.00 H new ATOM 0 HA SER A 125 -16.159 6.754 2.859 1.00 0.00 H new ATOM 0 HB2 SER A 125 -15.846 4.817 5.208 1.00 0.00 H new ATOM 0 HB3 SER A 125 -16.305 4.347 3.583 1.00 0.00 H new ATOM 0 HG SER A 125 -14.162 5.917 3.327 1.00 0.00 H new TER 1949 SER A 125