USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 766 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 HIS : no HD1:sc= -0.337 K(o=-0.34,f=-1.5) USER MOD Set 1.2: A 65 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 4 THR OG1 : rot 117:sc= 0.5 USER MOD Set 2.2: A 6 SER OG : rot 180:sc= 0.464 USER MOD Single : A 8 HIS : no HD1:sc= -0.0747 X(o=-0.075,f=-0.098) USER MOD Single : A 11 SER OG : rot 80:sc= 0.0168 USER MOD Single : A 12 THR OG1 : rot 90:sc= 1.23 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -171:sc= 0.995 (180deg=0.92) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 30 ASN : amide:sc= 0.0538 X(o=0.054,f=0) USER MOD Single : A 31 THR OG1 : rot 46:sc= 0.505 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.322 X(o=-0.32,f=-0.11) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.19) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -163:sc= -0.679 (180deg=-1.77) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 76:sc= 0.133 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -15:sc= -0.0719 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 70 THR OG1 : rot 85:sc= 0.181 USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 78 ASN : amide:sc=-0.00965 K(o=-0.0097,f=-1) USER MOD Single : A 79 GLN : amide:sc= -0.0461 X(o=-0.046,f=-0.24) USER MOD Single : A 87 HIS : no HD1:sc=-0.000263 X(o=-0.00026,f=-0.24) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 4 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA THR A 4 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C THR A 4 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O THR A 4 1.308 2.368 -0.355 1.00 0.00 O ATOM 5 CB THR A 4 2.023 -0.759 -1.215 1.00 0.00 C ATOM 6 OG1 THR A 4 1.634 -0.090 -2.422 1.00 0.00 O ATOM 7 CG2 THR A 4 1.503 -2.188 -1.241 1.00 0.00 C ATOM 0 HA THR A 4 1.772 -0.508 0.912 1.00 0.00 H new ATOM 0 HB THR A 4 3.110 -0.781 -1.137 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.433 0.229 -2.891 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.913 -2.709 -2.106 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.808 -2.703 -0.330 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.415 -2.178 -1.305 1.00 0.00 H new ATOM 15 N PRO A 5 3.268 1.561 0.401 1.00 0.00 N ATOM 16 CA PRO A 5 3.926 2.862 0.416 1.00 0.00 C ATOM 17 C PRO A 5 3.832 3.543 -0.944 1.00 0.00 C ATOM 18 O PRO A 5 3.706 4.764 -1.029 1.00 0.00 O ATOM 19 CB PRO A 5 5.374 2.545 0.803 1.00 0.00 C ATOM 20 CG PRO A 5 5.281 1.277 1.582 1.00 0.00 C ATOM 21 CD PRO A 5 4.175 0.489 0.932 1.00 0.00 C ATOM 0 HA PRO A 5 3.463 3.561 1.113 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.004 2.424 -0.079 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.810 3.346 1.399 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.223 0.729 1.554 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.058 1.475 2.630 1.00 0.00 H new ATOM 0 HD2 PRO A 5 4.551 -0.154 0.136 1.00 0.00 H new ATOM 0 HD3 PRO A 5 3.664 -0.155 1.647 1.00 0.00 H new ATOM 29 N SER A 6 3.895 2.745 -2.005 1.00 0.00 N ATOM 30 CA SER A 6 3.820 3.270 -3.363 1.00 0.00 C ATOM 31 C SER A 6 2.419 3.777 -3.681 1.00 0.00 C ATOM 32 O SER A 6 2.244 4.660 -4.520 1.00 0.00 O ATOM 33 CB SER A 6 4.235 2.204 -4.358 1.00 0.00 C ATOM 34 OG SER A 6 3.296 1.167 -4.440 1.00 0.00 O ATOM 0 H SER A 6 3.998 1.732 -1.950 1.00 0.00 H new ATOM 0 HA SER A 6 4.506 4.113 -3.440 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.362 2.656 -5.342 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.203 1.795 -4.068 1.00 0.00 H new ATOM 0 HG SER A 6 3.599 0.502 -5.092 1.00 0.00 H new ATOM 40 N ASP A 7 1.424 3.212 -3.006 1.00 0.00 N ATOM 41 CA ASP A 7 0.040 3.638 -3.181 1.00 0.00 C ATOM 42 C ASP A 7 -0.217 4.970 -2.488 1.00 0.00 C ATOM 43 O ASP A 7 -0.993 5.794 -2.974 1.00 0.00 O ATOM 44 CB ASP A 7 -0.921 2.574 -2.647 1.00 0.00 C ATOM 45 CG ASP A 7 -1.010 1.319 -3.506 1.00 0.00 C ATOM 46 OD1 ASP A 7 -0.688 1.395 -4.668 1.00 0.00 O ATOM 47 OD2 ASP A 7 -1.246 0.267 -2.962 1.00 0.00 O ATOM 0 H ASP A 7 1.550 2.457 -2.332 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.136 3.769 -4.249 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.608 2.290 -1.642 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.916 3.011 -2.560 1.00 0.00 H new ATOM 52 N HIS A 8 0.438 5.176 -1.351 1.00 0.00 N ATOM 53 CA HIS A 8 0.340 6.439 -0.628 1.00 0.00 C ATOM 54 C HIS A 8 1.126 7.538 -1.332 1.00 0.00 C ATOM 55 O HIS A 8 0.700 8.692 -1.370 1.00 0.00 O ATOM 56 CB HIS A 8 0.839 6.279 0.811 1.00 0.00 C ATOM 57 CG HIS A 8 -0.048 5.426 1.664 1.00 0.00 C ATOM 58 ND1 HIS A 8 -1.301 5.833 2.073 1.00 0.00 N ATOM 59 CD2 HIS A 8 0.136 4.191 2.185 1.00 0.00 C ATOM 60 CE1 HIS A 8 -1.850 4.882 2.810 1.00 0.00 C ATOM 61 NE2 HIS A 8 -0.998 3.876 2.893 1.00 0.00 N ATOM 0 H HIS A 8 1.043 4.484 -0.909 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.711 6.727 -0.607 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.838 5.844 0.793 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.928 7.265 1.267 1.00 0.00 H new ATOM 0 HD2 HIS A 8 1.011 3.569 2.066 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -2.828 4.921 3.266 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -1.157 3.006 3.401 1.00 0.00 H new ATOM 69 N LEU A 9 2.276 7.172 -1.889 1.00 0.00 N ATOM 70 CA LEU A 9 3.053 8.089 -2.714 1.00 0.00 C ATOM 71 C LEU A 9 2.299 8.460 -3.985 1.00 0.00 C ATOM 72 O LEU A 9 2.339 9.608 -4.429 1.00 0.00 O ATOM 73 CB LEU A 9 4.412 7.468 -3.062 1.00 0.00 C ATOM 74 CG LEU A 9 5.393 7.346 -1.889 1.00 0.00 C ATOM 75 CD1 LEU A 9 6.562 6.451 -2.278 1.00 0.00 C ATOM 76 CD2 LEU A 9 5.883 8.730 -1.490 1.00 0.00 C ATOM 0 H LEU A 9 2.690 6.246 -1.784 1.00 0.00 H new ATOM 0 HA LEU A 9 3.217 9.002 -2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.244 6.475 -3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.878 8.068 -3.844 1.00 0.00 H new ATOM 0 HG LEU A 9 4.886 6.894 -1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.253 6.370 -1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.190 5.460 -2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.080 6.881 -3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.580 8.643 -0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.387 9.196 -2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.034 9.344 -1.190 1.00 0.00 H new ATOM 88 N LEU A 10 1.613 7.483 -4.567 1.00 0.00 N ATOM 89 CA LEU A 10 0.774 7.725 -5.734 1.00 0.00 C ATOM 90 C LEU A 10 -0.290 8.775 -5.440 1.00 0.00 C ATOM 91 O LEU A 10 -0.398 9.778 -6.146 1.00 0.00 O ATOM 92 CB LEU A 10 0.120 6.417 -6.197 1.00 0.00 C ATOM 93 CG LEU A 10 -0.583 6.486 -7.560 1.00 0.00 C ATOM 94 CD1 LEU A 10 -0.794 5.081 -8.109 1.00 0.00 C ATOM 95 CD2 LEU A 10 -1.911 7.212 -7.411 1.00 0.00 C ATOM 0 H LEU A 10 1.622 6.514 -4.249 1.00 0.00 H new ATOM 0 HA LEU A 10 1.409 8.106 -6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.885 5.642 -6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.607 6.107 -5.446 1.00 0.00 H new ATOM 0 HG LEU A 10 0.040 7.037 -8.264 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.293 5.139 -9.076 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.171 4.588 -8.228 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.411 4.509 -7.416 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.410 7.261 -8.379 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.543 6.674 -6.704 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.734 8.223 -7.043 1.00 0.00 H new ATOM 107 N SER A 11 -1.074 8.538 -4.394 1.00 0.00 N ATOM 108 CA SER A 11 -2.161 9.439 -4.032 1.00 0.00 C ATOM 109 C SER A 11 -1.633 10.818 -3.655 1.00 0.00 C ATOM 110 O SER A 11 -2.241 11.837 -3.981 1.00 0.00 O ATOM 111 CB SER A 11 -2.967 8.853 -2.889 1.00 0.00 C ATOM 112 OG SER A 11 -3.635 7.679 -3.264 1.00 0.00 O ATOM 0 H SER A 11 -0.976 7.728 -3.781 1.00 0.00 H new ATOM 0 HA SER A 11 -2.808 9.554 -4.901 1.00 0.00 H new ATOM 0 HB2 SER A 11 -2.304 8.641 -2.050 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.693 9.589 -2.543 1.00 0.00 H new ATOM 0 HG SER A 11 -3.007 6.927 -3.252 1.00 0.00 H new ATOM 118 N THR A 12 -0.497 10.842 -2.967 1.00 0.00 N ATOM 119 CA THR A 12 0.119 12.096 -2.549 1.00 0.00 C ATOM 120 C THR A 12 0.519 12.941 -3.751 1.00 0.00 C ATOM 121 O THR A 12 0.258 14.143 -3.792 1.00 0.00 O ATOM 122 CB THR A 12 1.360 11.851 -1.671 1.00 0.00 C ATOM 123 OG1 THR A 12 0.969 11.189 -0.461 1.00 0.00 O ATOM 124 CG2 THR A 12 2.039 13.168 -1.327 1.00 0.00 C ATOM 0 H THR A 12 0.017 10.006 -2.687 1.00 0.00 H new ATOM 0 HA THR A 12 -0.628 12.633 -1.964 1.00 0.00 H new ATOM 0 HB THR A 12 2.061 11.227 -2.225 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.998 10.219 -0.595 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.914 12.975 -0.706 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.348 13.668 -2.245 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.342 13.806 -0.783 1.00 0.00 H new ATOM 132 N LEU A 13 1.155 12.305 -4.729 1.00 0.00 N ATOM 133 CA LEU A 13 1.633 13.006 -5.915 1.00 0.00 C ATOM 134 C LEU A 13 0.527 13.152 -6.952 1.00 0.00 C ATOM 135 O LEU A 13 0.648 13.931 -7.897 1.00 0.00 O ATOM 136 CB LEU A 13 2.836 12.269 -6.518 1.00 0.00 C ATOM 137 CG LEU A 13 4.082 12.213 -5.625 1.00 0.00 C ATOM 138 CD1 LEU A 13 5.177 11.404 -6.307 1.00 0.00 C ATOM 139 CD2 LEU A 13 4.560 13.626 -5.329 1.00 0.00 C ATOM 0 H LEU A 13 1.352 11.304 -4.724 1.00 0.00 H new ATOM 0 HA LEU A 13 1.945 14.006 -5.614 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.534 11.249 -6.758 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.104 12.752 -7.458 1.00 0.00 H new ATOM 0 HG LEU A 13 3.833 11.723 -4.684 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.057 11.370 -5.665 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.821 10.390 -6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.438 11.872 -7.256 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.445 13.585 -4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.806 14.130 -6.264 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.771 14.177 -4.817 1.00 0.00 H new ATOM 151 N GLU A 14 -0.551 12.398 -6.769 1.00 0.00 N ATOM 152 CA GLU A 14 -1.768 12.599 -7.548 1.00 0.00 C ATOM 153 C GLU A 14 -2.465 13.895 -7.155 1.00 0.00 C ATOM 154 O GLU A 14 -2.929 14.646 -8.013 1.00 0.00 O ATOM 155 CB GLU A 14 -2.721 11.415 -7.369 1.00 0.00 C ATOM 156 CG GLU A 14 -4.009 11.517 -8.173 1.00 0.00 C ATOM 157 CD GLU A 14 -4.896 10.326 -7.937 1.00 0.00 C ATOM 158 OE1 GLU A 14 -4.521 9.473 -7.169 1.00 0.00 O ATOM 159 OE2 GLU A 14 -5.997 10.323 -8.436 1.00 0.00 O ATOM 0 H GLU A 14 -0.607 11.641 -6.087 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.484 12.669 -8.598 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.201 10.500 -7.653 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.973 11.324 -6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.540 12.429 -7.899 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.773 11.593 -9.234 1.00 0.00 H new ATOM 166 N GLU A 15 -2.535 14.153 -5.854 1.00 0.00 N ATOM 167 CA GLU A 15 -3.104 15.396 -5.348 1.00 0.00 C ATOM 168 C GLU A 15 -2.199 16.582 -5.656 1.00 0.00 C ATOM 169 O GLU A 15 -2.668 17.709 -5.813 1.00 0.00 O ATOM 170 CB GLU A 15 -3.349 15.299 -3.841 1.00 0.00 C ATOM 171 CG GLU A 15 -4.491 14.373 -3.447 1.00 0.00 C ATOM 172 CD GLU A 15 -4.650 14.305 -1.954 1.00 0.00 C ATOM 173 OE1 GLU A 15 -3.875 14.923 -1.265 1.00 0.00 O ATOM 174 OE2 GLU A 15 -5.611 13.727 -1.505 1.00 0.00 O ATOM 0 H GLU A 15 -2.204 13.516 -5.129 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.057 15.555 -5.852 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.435 14.954 -3.358 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.557 16.297 -3.454 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.419 14.725 -3.898 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.304 13.374 -3.841 1.00 0.00 H new ATOM 181 N LEU A 16 -0.899 16.320 -5.742 1.00 0.00 N ATOM 182 CA LEU A 16 0.068 17.350 -6.103 1.00 0.00 C ATOM 183 C LEU A 16 -0.299 18.010 -7.426 1.00 0.00 C ATOM 184 O LEU A 16 -0.467 17.335 -8.442 1.00 0.00 O ATOM 185 CB LEU A 16 1.477 16.751 -6.178 1.00 0.00 C ATOM 186 CG LEU A 16 2.590 17.743 -6.541 1.00 0.00 C ATOM 187 CD1 LEU A 16 2.696 18.822 -5.472 1.00 0.00 C ATOM 188 CD2 LEU A 16 3.908 16.998 -6.689 1.00 0.00 C ATOM 0 H LEU A 16 -0.491 15.402 -5.566 1.00 0.00 H new ATOM 0 HA LEU A 16 0.051 18.117 -5.329 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.714 16.300 -5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.474 15.947 -6.914 1.00 0.00 H new ATOM 0 HG LEU A 16 2.352 18.225 -7.489 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.489 19.521 -5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.749 19.357 -5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.926 18.361 -4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.698 17.704 -6.947 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.155 16.505 -5.749 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.817 16.251 -7.478 1.00 0.00 H new ATOM 200 N VAL A 17 -0.423 19.333 -7.407 1.00 0.00 N ATOM 201 CA VAL A 17 -0.761 20.088 -8.608 1.00 0.00 C ATOM 202 C VAL A 17 0.325 19.953 -9.668 1.00 0.00 C ATOM 203 O VAL A 17 1.509 20.135 -9.384 1.00 0.00 O ATOM 204 CB VAL A 17 -0.977 21.581 -8.295 1.00 0.00 C ATOM 205 CG1 VAL A 17 -1.230 22.362 -9.576 1.00 0.00 C ATOM 206 CG2 VAL A 17 -2.134 21.760 -7.325 1.00 0.00 C ATOM 0 H VAL A 17 -0.294 19.905 -6.572 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.691 19.668 -8.991 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.072 21.969 -7.827 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.381 23.415 -9.337 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.372 22.260 -10.240 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.119 21.972 -10.070 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.272 22.821 -7.115 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.045 21.356 -7.767 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.916 21.232 -6.397 1.00 0.00 H new ATOM 216 N PRO A 18 -0.085 19.633 -10.890 1.00 0.00 N ATOM 217 CA PRO A 18 0.858 19.379 -11.973 1.00 0.00 C ATOM 218 C PRO A 18 1.848 20.527 -12.122 1.00 0.00 C ATOM 219 O PRO A 18 3.032 20.309 -12.376 1.00 0.00 O ATOM 220 CB PRO A 18 -0.028 19.217 -13.212 1.00 0.00 C ATOM 221 CG PRO A 18 -1.307 18.662 -12.683 1.00 0.00 C ATOM 222 CD PRO A 18 -1.501 19.316 -11.341 1.00 0.00 C ATOM 0 HA PRO A 18 1.475 18.498 -11.797 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.187 20.171 -13.715 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.426 18.545 -13.940 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -2.138 18.884 -13.352 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.255 17.577 -12.588 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.108 20.218 -11.419 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -2.006 18.651 -10.640 1.00 0.00 H new ATOM 230 N TYR A 19 1.355 21.751 -11.962 1.00 0.00 N ATOM 231 CA TYR A 19 2.199 22.935 -12.060 1.00 0.00 C ATOM 232 C TYR A 19 3.248 22.958 -10.956 1.00 0.00 C ATOM 233 O TYR A 19 4.340 23.495 -11.135 1.00 0.00 O ATOM 234 CB TYR A 19 1.347 24.206 -12.001 1.00 0.00 C ATOM 235 CG TYR A 19 0.504 24.437 -13.235 1.00 0.00 C ATOM 236 CD1 TYR A 19 1.069 24.934 -14.400 1.00 0.00 C ATOM 237 CD2 TYR A 19 -0.855 24.159 -13.232 1.00 0.00 C ATOM 238 CE1 TYR A 19 0.305 25.147 -15.530 1.00 0.00 C ATOM 239 CE2 TYR A 19 -1.630 24.368 -14.356 1.00 0.00 C ATOM 240 CZ TYR A 19 -1.046 24.863 -15.505 1.00 0.00 C ATOM 241 OH TYR A 19 -1.812 25.075 -16.627 1.00 0.00 O ATOM 0 H TYR A 19 0.374 21.948 -11.764 1.00 0.00 H new ATOM 0 HA TYR A 19 2.715 22.897 -13.019 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.693 24.153 -11.131 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.003 25.065 -11.855 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.125 25.158 -14.424 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.315 23.772 -12.335 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.762 25.534 -16.429 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.687 24.146 -14.336 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.741 24.823 -16.441 1.00 0.00 H new ATOM 251 N ASP A 20 2.909 22.370 -9.813 1.00 0.00 N ATOM 252 CA ASP A 20 3.852 22.242 -8.709 1.00 0.00 C ATOM 253 C ASP A 20 4.764 21.037 -8.901 1.00 0.00 C ATOM 254 O ASP A 20 5.916 21.042 -8.466 1.00 0.00 O ATOM 255 CB ASP A 20 3.107 22.129 -7.377 1.00 0.00 C ATOM 256 CG ASP A 20 2.435 23.418 -6.921 1.00 0.00 C ATOM 257 OD1 ASP A 20 2.752 24.452 -7.459 1.00 0.00 O ATOM 258 OD2 ASP A 20 1.504 23.340 -6.156 1.00 0.00 O ATOM 0 H ASP A 20 1.987 21.975 -9.628 1.00 0.00 H new ATOM 0 HA ASP A 20 4.470 23.140 -8.694 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.350 21.350 -7.463 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.809 21.808 -6.608 1.00 0.00 H new ATOM 263 N PHE A 21 4.243 20.005 -9.556 1.00 0.00 N ATOM 264 CA PHE A 21 5.034 18.824 -9.879 1.00 0.00 C ATOM 265 C PHE A 21 6.194 19.173 -10.803 1.00 0.00 C ATOM 266 O PHE A 21 7.267 18.575 -10.721 1.00 0.00 O ATOM 267 CB PHE A 21 4.154 17.750 -10.522 1.00 0.00 C ATOM 268 CG PHE A 21 4.907 16.520 -10.940 1.00 0.00 C ATOM 269 CD1 PHE A 21 5.351 15.606 -9.995 1.00 0.00 C ATOM 270 CD2 PHE A 21 5.174 16.273 -12.278 1.00 0.00 C ATOM 271 CE1 PHE A 21 6.044 14.474 -10.379 1.00 0.00 C ATOM 272 CE2 PHE A 21 5.865 15.141 -12.664 1.00 0.00 C ATOM 273 CZ PHE A 21 6.301 14.241 -11.713 1.00 0.00 C ATOM 0 H PHE A 21 3.275 19.963 -9.874 1.00 0.00 H new ATOM 0 HA PHE A 21 5.446 18.434 -8.948 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.372 17.464 -9.818 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.657 18.175 -11.394 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.153 15.781 -8.948 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.838 16.974 -13.027 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.385 13.771 -9.633 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.064 14.960 -13.710 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.842 13.356 -12.013 1.00 0.00 H new ATOM 283 N GLU A 22 5.971 20.145 -11.681 1.00 0.00 N ATOM 284 CA GLU A 22 7.039 20.680 -12.517 1.00 0.00 C ATOM 285 C GLU A 22 8.275 21.009 -11.689 1.00 0.00 C ATOM 286 O GLU A 22 9.399 20.702 -12.086 1.00 0.00 O ATOM 287 CB GLU A 22 6.560 21.927 -13.264 1.00 0.00 C ATOM 288 CG GLU A 22 7.607 22.558 -14.171 1.00 0.00 C ATOM 289 CD GLU A 22 7.052 23.750 -14.900 1.00 0.00 C ATOM 290 OE1 GLU A 22 5.898 24.053 -14.713 1.00 0.00 O ATOM 291 OE2 GLU A 22 7.809 24.425 -15.557 1.00 0.00 O ATOM 0 H GLU A 22 5.060 20.578 -11.832 1.00 0.00 H new ATOM 0 HA GLU A 22 7.310 19.913 -13.243 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.689 21.664 -13.864 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.233 22.669 -12.535 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.470 22.861 -13.578 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.959 21.820 -14.892 1.00 0.00 H new ATOM 298 N LYS A 23 8.060 21.635 -10.537 1.00 0.00 N ATOM 299 CA LYS A 23 9.153 21.977 -9.636 1.00 0.00 C ATOM 300 C LYS A 23 9.573 20.776 -8.799 1.00 0.00 C ATOM 301 O LYS A 23 10.740 20.642 -8.429 1.00 0.00 O ATOM 302 CB LYS A 23 8.752 23.139 -8.725 1.00 0.00 C ATOM 303 CG LYS A 23 8.573 24.469 -9.443 1.00 0.00 C ATOM 304 CD LYS A 23 8.235 25.585 -8.466 1.00 0.00 C ATOM 305 CE LYS A 23 8.036 26.911 -9.186 1.00 0.00 C ATOM 306 NZ LYS A 23 7.693 28.010 -8.243 1.00 0.00 N ATOM 0 H LYS A 23 7.137 21.916 -10.205 1.00 0.00 H new ATOM 0 HA LYS A 23 10.004 22.282 -10.245 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.820 22.884 -8.221 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.511 23.257 -7.952 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.487 24.719 -9.982 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.780 24.380 -10.185 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.329 25.328 -7.917 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.035 25.684 -7.733 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.945 27.169 -9.729 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.242 26.807 -9.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.566 28.896 -8.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.811 27.776 -7.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.462 28.127 -7.552 1.00 0.00 H new ATOM 320 N PHE A 24 8.616 19.903 -8.503 1.00 0.00 N ATOM 321 CA PHE A 24 8.898 18.678 -7.764 1.00 0.00 C ATOM 322 C PHE A 24 9.999 17.870 -8.438 1.00 0.00 C ATOM 323 O PHE A 24 10.981 17.489 -7.801 1.00 0.00 O ATOM 324 CB PHE A 24 7.630 17.832 -7.630 1.00 0.00 C ATOM 325 CG PHE A 24 7.837 16.545 -6.883 1.00 0.00 C ATOM 326 CD1 PHE A 24 8.258 15.401 -7.544 1.00 0.00 C ATOM 327 CD2 PHE A 24 7.612 16.477 -5.516 1.00 0.00 C ATOM 328 CE1 PHE A 24 8.447 14.217 -6.858 1.00 0.00 C ATOM 329 CE2 PHE A 24 7.802 15.294 -4.827 1.00 0.00 C ATOM 330 CZ PHE A 24 8.219 14.164 -5.498 1.00 0.00 C ATOM 0 H PHE A 24 7.637 20.021 -8.764 1.00 0.00 H new ATOM 0 HA PHE A 24 9.243 18.959 -6.769 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.865 18.418 -7.120 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.248 17.606 -8.626 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.440 15.436 -8.608 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.285 17.358 -4.984 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.773 13.333 -7.386 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.624 15.255 -3.763 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.367 13.239 -4.960 1.00 0.00 H new ATOM 340 N LYS A 25 9.830 17.611 -9.730 1.00 0.00 N ATOM 341 CA LYS A 25 10.765 16.775 -10.473 1.00 0.00 C ATOM 342 C LYS A 25 12.082 17.502 -10.715 1.00 0.00 C ATOM 343 O LYS A 25 13.122 16.873 -10.911 1.00 0.00 O ATOM 344 CB LYS A 25 10.153 16.339 -11.805 1.00 0.00 C ATOM 345 CG LYS A 25 10.000 17.461 -12.824 1.00 0.00 C ATOM 346 CD LYS A 25 9.274 16.980 -14.071 1.00 0.00 C ATOM 347 CE LYS A 25 9.377 17.996 -15.199 1.00 0.00 C ATOM 348 NZ LYS A 25 8.671 17.539 -16.426 1.00 0.00 N ATOM 0 H LYS A 25 9.053 17.969 -10.285 1.00 0.00 H new ATOM 0 HA LYS A 25 10.970 15.889 -9.871 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.774 15.554 -12.237 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.173 15.901 -11.615 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.450 18.289 -12.377 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.983 17.843 -13.098 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.696 16.029 -14.396 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.225 16.799 -13.836 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.956 18.946 -14.871 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.427 18.176 -15.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.891 18.182 -17.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.983 16.577 -16.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.645 17.538 -16.256 1.00 0.00 H new ATOM 362 N PHE A 26 12.031 18.829 -10.699 1.00 0.00 N ATOM 363 CA PHE A 26 13.236 19.644 -10.801 1.00 0.00 C ATOM 364 C PHE A 26 14.080 19.538 -9.537 1.00 0.00 C ATOM 365 O PHE A 26 15.309 19.574 -9.596 1.00 0.00 O ATOM 366 CB PHE A 26 12.872 21.106 -11.069 1.00 0.00 C ATOM 367 CG PHE A 26 12.329 21.351 -12.448 1.00 0.00 C ATOM 368 CD1 PHE A 26 12.387 20.362 -13.418 1.00 0.00 C ATOM 369 CD2 PHE A 26 11.759 22.572 -12.778 1.00 0.00 C ATOM 370 CE1 PHE A 26 11.888 20.587 -14.688 1.00 0.00 C ATOM 371 CE2 PHE A 26 11.258 22.799 -14.045 1.00 0.00 C ATOM 372 CZ PHE A 26 11.323 21.805 -15.001 1.00 0.00 C ATOM 0 H PHE A 26 11.167 19.364 -10.616 1.00 0.00 H new ATOM 0 HA PHE A 26 13.825 19.267 -11.637 1.00 0.00 H new ATOM 0 HB2 PHE A 26 12.133 21.427 -10.335 1.00 0.00 H new ATOM 0 HB3 PHE A 26 13.757 21.724 -10.922 1.00 0.00 H new ATOM 0 HD1 PHE A 26 12.827 19.405 -13.179 1.00 0.00 H new ATOM 0 HD2 PHE A 26 11.706 23.354 -12.035 1.00 0.00 H new ATOM 0 HE1 PHE A 26 11.941 19.808 -15.435 1.00 0.00 H new ATOM 0 HE2 PHE A 26 10.816 23.754 -14.288 1.00 0.00 H new ATOM 0 HZ PHE A 26 10.932 21.981 -15.992 1.00 0.00 H new ATOM 382 N LYS A 27 13.414 19.408 -8.395 1.00 0.00 N ATOM 383 CA LYS A 27 14.102 19.246 -7.121 1.00 0.00 C ATOM 384 C LYS A 27 14.550 17.805 -6.915 1.00 0.00 C ATOM 385 O LYS A 27 15.556 17.546 -6.253 1.00 0.00 O ATOM 386 CB LYS A 27 13.201 19.687 -5.966 1.00 0.00 C ATOM 387 CG LYS A 27 12.968 21.190 -5.887 1.00 0.00 C ATOM 388 CD LYS A 27 14.264 21.936 -5.607 1.00 0.00 C ATOM 389 CE LYS A 27 14.021 23.431 -5.459 1.00 0.00 C ATOM 390 NZ LYS A 27 15.278 24.173 -5.169 1.00 0.00 N ATOM 0 H LYS A 27 12.396 19.412 -8.326 1.00 0.00 H new ATOM 0 HA LYS A 27 14.990 19.879 -7.139 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.237 19.187 -6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.643 19.350 -5.028 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.538 21.543 -6.824 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.244 21.407 -5.102 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.720 21.548 -4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.971 21.759 -6.418 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.574 23.818 -6.375 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.304 23.604 -4.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.069 25.187 -5.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.692 23.822 -4.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.953 24.029 -5.947 1.00 0.00 H new ATOM 404 N LEU A 28 13.799 16.870 -7.486 1.00 0.00 N ATOM 405 CA LEU A 28 14.149 15.456 -7.415 1.00 0.00 C ATOM 406 C LEU A 28 15.455 15.175 -8.147 1.00 0.00 C ATOM 407 O LEU A 28 16.248 14.335 -7.722 1.00 0.00 O ATOM 408 CB LEU A 28 13.017 14.600 -7.995 1.00 0.00 C ATOM 409 CG LEU A 28 13.193 13.085 -7.829 1.00 0.00 C ATOM 410 CD1 LEU A 28 13.290 12.730 -6.351 1.00 0.00 C ATOM 411 CD2 LEU A 28 12.024 12.362 -8.482 1.00 0.00 C ATOM 0 H LEU A 28 12.943 17.066 -8.004 1.00 0.00 H new ATOM 0 HA LEU A 28 14.289 15.194 -6.366 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.081 14.895 -7.521 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.921 14.824 -9.057 1.00 0.00 H new ATOM 0 HG LEU A 28 14.116 12.770 -8.317 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.415 11.653 -6.243 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.146 13.240 -5.910 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.379 13.043 -5.841 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.150 11.286 -8.364 1.00 0.00 H new ATOM 0 HD22 LEU A 28 11.093 12.673 -8.008 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.990 12.609 -9.543 1.00 0.00 H new ATOM 423 N GLN A 29 15.673 15.883 -9.251 1.00 0.00 N ATOM 424 CA GLN A 29 16.922 15.776 -9.995 1.00 0.00 C ATOM 425 C GLN A 29 18.104 16.252 -9.159 1.00 0.00 C ATOM 426 O GLN A 29 19.234 15.803 -9.352 1.00 0.00 O ATOM 427 CB GLN A 29 16.845 16.588 -11.291 1.00 0.00 C ATOM 428 CG GLN A 29 15.957 15.973 -12.358 1.00 0.00 C ATOM 429 CD GLN A 29 15.822 16.861 -13.581 1.00 0.00 C ATOM 430 OE1 GLN A 29 16.396 17.952 -13.639 1.00 0.00 O ATOM 431 NE2 GLN A 29 15.058 16.400 -14.565 1.00 0.00 N ATOM 0 H GLN A 29 15.000 16.537 -9.650 1.00 0.00 H new ATOM 0 HA GLN A 29 17.073 14.724 -10.239 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.477 17.587 -11.059 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.851 16.705 -11.694 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.367 15.008 -12.656 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.969 15.783 -11.939 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.602 15.492 -14.474 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.927 16.954 -15.411 1.00 0.00 H new ATOM 440 N ASN A 30 17.836 17.163 -8.231 1.00 0.00 N ATOM 441 CA ASN A 30 18.885 17.737 -7.396 1.00 0.00 C ATOM 442 C ASN A 30 18.913 17.084 -6.020 1.00 0.00 C ATOM 443 O ASN A 30 19.549 17.589 -5.095 1.00 0.00 O ATOM 444 CB ASN A 30 18.725 19.241 -7.260 1.00 0.00 C ATOM 445 CG ASN A 30 18.971 19.994 -8.537 1.00 0.00 C ATOM 446 OD1 ASN A 30 20.099 20.051 -9.041 1.00 0.00 O ATOM 447 ND2 ASN A 30 17.940 20.639 -9.020 1.00 0.00 N ATOM 0 H ASN A 30 16.901 17.521 -8.037 1.00 0.00 H new ATOM 0 HA ASN A 30 19.835 17.539 -7.891 1.00 0.00 H new ATOM 0 HB2 ASN A 30 17.717 19.460 -6.908 1.00 0.00 H new ATOM 0 HB3 ASN A 30 19.414 19.603 -6.497 1.00 0.00 H new ATOM 0 HD21 ASN A 30 18.046 21.222 -9.850 1.00 0.00 H new ATOM 0 HD22 ASN A 30 17.030 20.558 -8.567 1.00 0.00 H new ATOM 454 N THR A 31 18.220 15.958 -5.891 1.00 0.00 N ATOM 455 CA THR A 31 18.158 15.237 -4.626 1.00 0.00 C ATOM 456 C THR A 31 19.324 14.265 -4.488 1.00 0.00 C ATOM 457 O THR A 31 19.627 13.510 -5.412 1.00 0.00 O ATOM 458 CB THR A 31 16.837 14.460 -4.481 1.00 0.00 C ATOM 459 OG1 THR A 31 15.735 15.378 -4.504 1.00 0.00 O ATOM 460 CG2 THR A 31 16.815 13.682 -3.174 1.00 0.00 C ATOM 0 H THR A 31 17.693 15.525 -6.649 1.00 0.00 H new ATOM 0 HA THR A 31 18.217 15.986 -3.836 1.00 0.00 H new ATOM 0 HB THR A 31 16.753 13.758 -5.311 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.857 16.018 -5.236 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.874 13.139 -3.089 1.00 0.00 H new ATOM 0 HG22 THR A 31 17.644 12.975 -3.158 1.00 0.00 H new ATOM 0 HG23 THR A 31 16.911 14.374 -2.337 1.00 0.00 H new ATOM 468 N SER A 32 19.974 14.289 -3.330 1.00 0.00 N ATOM 469 CA SER A 32 21.139 13.446 -3.088 1.00 0.00 C ATOM 470 C SER A 32 20.772 11.969 -3.154 1.00 0.00 C ATOM 471 O SER A 32 19.712 11.560 -2.680 1.00 0.00 O ATOM 472 CB SER A 32 21.752 13.777 -1.741 1.00 0.00 C ATOM 473 OG SER A 32 22.831 12.938 -1.434 1.00 0.00 O ATOM 0 H SER A 32 19.714 14.884 -2.543 1.00 0.00 H new ATOM 0 HA SER A 32 21.871 13.646 -3.870 1.00 0.00 H new ATOM 0 HB2 SER A 32 22.088 14.814 -1.741 1.00 0.00 H new ATOM 0 HB3 SER A 32 20.992 13.688 -0.965 1.00 0.00 H new ATOM 0 HG SER A 32 23.199 13.185 -0.560 1.00 0.00 H new ATOM 479 N VAL A 33 21.655 11.171 -3.746 1.00 0.00 N ATOM 480 CA VAL A 33 21.435 9.734 -3.858 1.00 0.00 C ATOM 481 C VAL A 33 21.684 9.034 -2.528 1.00 0.00 C ATOM 482 O VAL A 33 22.675 9.303 -1.850 1.00 0.00 O ATOM 483 CB VAL A 33 22.339 9.106 -4.935 1.00 0.00 C ATOM 484 CG1 VAL A 33 22.167 7.595 -4.959 1.00 0.00 C ATOM 485 CG2 VAL A 33 22.030 9.698 -6.302 1.00 0.00 C ATOM 0 H VAL A 33 22.531 11.496 -4.156 1.00 0.00 H new ATOM 0 HA VAL A 33 20.393 9.597 -4.148 1.00 0.00 H new ATOM 0 HB VAL A 33 23.376 9.332 -4.688 1.00 0.00 H new ATOM 0 HG11 VAL A 33 22.813 7.167 -5.726 1.00 0.00 H new ATOM 0 HG12 VAL A 33 22.436 7.183 -3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 33 21.128 7.351 -5.182 1.00 0.00 H new ATOM 0 HG21 VAL A 33 22.678 9.243 -7.051 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.988 9.502 -6.556 1.00 0.00 H new ATOM 0 HG23 VAL A 33 22.202 10.774 -6.280 1.00 0.00 H new ATOM 495 N GLN A 34 20.778 8.133 -2.161 1.00 0.00 N ATOM 496 CA GLN A 34 20.872 7.428 -0.888 1.00 0.00 C ATOM 497 C GLN A 34 22.022 6.430 -0.895 1.00 0.00 C ATOM 498 O GLN A 34 22.367 5.872 -1.937 1.00 0.00 O ATOM 499 CB GLN A 34 19.559 6.702 -0.581 1.00 0.00 C ATOM 500 CG GLN A 34 18.370 7.625 -0.376 1.00 0.00 C ATOM 501 CD GLN A 34 18.556 8.554 0.808 1.00 0.00 C ATOM 502 OE1 GLN A 34 18.799 8.108 1.933 1.00 0.00 O ATOM 503 NE2 GLN A 34 18.438 9.854 0.564 1.00 0.00 N ATOM 0 H GLN A 34 19.970 7.874 -2.728 1.00 0.00 H new ATOM 0 HA GLN A 34 21.063 8.169 -0.112 1.00 0.00 H new ATOM 0 HB2 GLN A 34 19.336 6.017 -1.399 1.00 0.00 H new ATOM 0 HB3 GLN A 34 19.693 6.096 0.315 1.00 0.00 H new ATOM 0 HG2 GLN A 34 18.214 8.217 -1.278 1.00 0.00 H new ATOM 0 HG3 GLN A 34 17.471 7.027 -0.227 1.00 0.00 H new ATOM 0 HE21 GLN A 34 18.236 10.179 -0.382 1.00 0.00 H new ATOM 0 HE22 GLN A 34 18.549 10.527 1.322 1.00 0.00 H new ATOM 512 N LYS A 35 22.613 6.208 0.274 1.00 0.00 N ATOM 513 CA LYS A 35 23.819 5.395 0.381 1.00 0.00 C ATOM 514 C LYS A 35 23.573 3.978 -0.120 1.00 0.00 C ATOM 515 O LYS A 35 22.680 3.284 0.366 1.00 0.00 O ATOM 516 CB LYS A 35 24.317 5.363 1.827 1.00 0.00 C ATOM 517 CG LYS A 35 25.608 4.582 2.031 1.00 0.00 C ATOM 518 CD LYS A 35 26.089 4.673 3.471 1.00 0.00 C ATOM 519 CE LYS A 35 27.340 3.836 3.692 1.00 0.00 C ATOM 520 NZ LYS A 35 27.852 3.957 5.084 1.00 0.00 N ATOM 0 H LYS A 35 22.276 6.580 1.162 1.00 0.00 H new ATOM 0 HA LYS A 35 24.585 5.850 -0.247 1.00 0.00 H new ATOM 0 HB2 LYS A 35 24.468 6.387 2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 35 23.540 4.928 2.456 1.00 0.00 H new ATOM 0 HG2 LYS A 35 25.449 3.537 1.764 1.00 0.00 H new ATOM 0 HG3 LYS A 35 26.378 4.968 1.363 1.00 0.00 H new ATOM 0 HD2 LYS A 35 26.296 5.713 3.722 1.00 0.00 H new ATOM 0 HD3 LYS A 35 25.300 4.334 4.142 1.00 0.00 H new ATOM 0 HE2 LYS A 35 27.120 2.791 3.476 1.00 0.00 H new ATOM 0 HE3 LYS A 35 28.115 4.150 2.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 28.705 3.371 5.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 28.087 4.951 5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 27.123 3.634 5.751 1.00 0.00 H new ATOM 534 N GLU A 36 24.371 3.553 -1.093 1.00 0.00 N ATOM 535 CA GLU A 36 24.273 2.201 -1.629 1.00 0.00 C ATOM 536 C GLU A 36 22.884 1.931 -2.192 1.00 0.00 C ATOM 537 O GLU A 36 22.336 0.841 -2.024 1.00 0.00 O ATOM 538 CB GLU A 36 24.612 1.170 -0.549 1.00 0.00 C ATOM 539 CG GLU A 36 26.036 1.260 -0.020 1.00 0.00 C ATOM 540 CD GLU A 36 26.296 0.213 1.027 1.00 0.00 C ATOM 541 OE1 GLU A 36 25.384 -0.503 1.364 1.00 0.00 O ATOM 542 OE2 GLU A 36 27.432 0.054 1.410 1.00 0.00 O ATOM 0 H GLU A 36 25.094 4.127 -1.527 1.00 0.00 H new ATOM 0 HA GLU A 36 24.994 2.112 -2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 36 23.919 1.293 0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 36 24.450 0.171 -0.954 1.00 0.00 H new ATOM 0 HG2 GLU A 36 26.740 1.138 -0.843 1.00 0.00 H new ATOM 0 HG3 GLU A 36 26.208 2.250 0.402 1.00 0.00 H new ATOM 549 N HIS A 37 22.318 2.929 -2.862 1.00 0.00 N ATOM 550 CA HIS A 37 21.055 2.759 -3.569 1.00 0.00 C ATOM 551 C HIS A 37 21.137 3.311 -4.986 1.00 0.00 C ATOM 552 O HIS A 37 21.997 4.138 -5.291 1.00 0.00 O ATOM 553 CB HIS A 37 19.913 3.439 -2.808 1.00 0.00 C ATOM 554 CG HIS A 37 19.601 2.798 -1.491 1.00 0.00 C ATOM 555 ND1 HIS A 37 18.983 1.569 -1.391 1.00 0.00 N ATOM 556 CD2 HIS A 37 19.820 3.214 -0.222 1.00 0.00 C ATOM 557 CE1 HIS A 37 18.837 1.257 -0.115 1.00 0.00 C ATOM 558 NE2 HIS A 37 19.336 2.238 0.614 1.00 0.00 N ATOM 0 H HIS A 37 22.715 3.866 -2.930 1.00 0.00 H new ATOM 0 HA HIS A 37 20.852 1.690 -3.629 1.00 0.00 H new ATOM 0 HB2 HIS A 37 20.172 4.485 -2.641 1.00 0.00 H new ATOM 0 HB3 HIS A 37 19.017 3.428 -3.429 1.00 0.00 H new ATOM 0 HD2 HIS A 37 20.288 4.140 0.077 1.00 0.00 H new ATOM 0 HE1 HIS A 37 18.386 0.353 0.267 1.00 0.00 H new ATOM 0 HE2 HIS A 37 19.358 2.266 1.633 1.00 0.00 H new ATOM 566 N SER A 38 20.238 2.850 -5.849 1.00 0.00 N ATOM 567 CA SER A 38 20.334 3.128 -7.277 1.00 0.00 C ATOM 568 C SER A 38 19.784 4.509 -7.607 1.00 0.00 C ATOM 569 O SER A 38 18.767 4.931 -7.056 1.00 0.00 O ATOM 570 CB SER A 38 19.597 2.063 -8.066 1.00 0.00 C ATOM 571 OG SER A 38 20.189 0.801 -7.928 1.00 0.00 O ATOM 0 H SER A 38 19.434 2.281 -5.584 1.00 0.00 H new ATOM 0 HA SER A 38 21.387 3.112 -7.557 1.00 0.00 H new ATOM 0 HB2 SER A 38 18.561 2.016 -7.730 1.00 0.00 H new ATOM 0 HB3 SER A 38 19.578 2.341 -9.120 1.00 0.00 H new ATOM 0 HG SER A 38 19.683 0.144 -8.450 1.00 0.00 H new ATOM 577 N ARG A 39 20.462 5.210 -8.510 1.00 0.00 N ATOM 578 CA ARG A 39 20.061 6.560 -8.891 1.00 0.00 C ATOM 579 C ARG A 39 19.096 6.536 -10.069 1.00 0.00 C ATOM 580 O ARG A 39 19.324 5.837 -11.056 1.00 0.00 O ATOM 581 CB ARG A 39 21.258 7.457 -9.169 1.00 0.00 C ATOM 582 CG ARG A 39 20.910 8.864 -9.627 1.00 0.00 C ATOM 583 CD ARG A 39 22.085 9.707 -9.963 1.00 0.00 C ATOM 584 NE ARG A 39 21.755 11.050 -10.412 1.00 0.00 N ATOM 585 CZ ARG A 39 22.653 11.950 -10.859 1.00 0.00 C ATOM 586 NH1 ARG A 39 23.937 11.671 -10.882 1.00 0.00 N ATOM 587 NH2 ARG A 39 22.210 13.132 -11.250 1.00 0.00 N ATOM 0 H ARG A 39 21.292 4.865 -8.992 1.00 0.00 H new ATOM 0 HA ARG A 39 19.536 6.991 -8.039 1.00 0.00 H new ATOM 0 HB2 ARG A 39 21.862 7.524 -8.264 1.00 0.00 H new ATOM 0 HB3 ARG A 39 21.878 6.985 -9.931 1.00 0.00 H new ATOM 0 HG2 ARG A 39 20.263 8.799 -10.502 1.00 0.00 H new ATOM 0 HG3 ARG A 39 20.337 9.357 -8.842 1.00 0.00 H new ATOM 0 HD2 ARG A 39 22.728 9.779 -9.086 1.00 0.00 H new ATOM 0 HD3 ARG A 39 22.663 9.209 -10.742 1.00 0.00 H new ATOM 0 HE ARG A 39 20.775 11.331 -10.387 1.00 0.00 H new ATOM 0 HH11 ARG A 39 24.267 10.762 -10.558 1.00 0.00 H new ATOM 0 HH12 ARG A 39 24.603 12.364 -11.223 1.00 0.00 H new ATOM 0 HH21 ARG A 39 21.213 13.342 -11.208 1.00 0.00 H new ATOM 0 HH22 ARG A 39 22.865 13.834 -11.593 1.00 0.00 H new ATOM 601 N ILE A 40 18.017 7.303 -9.959 1.00 0.00 N ATOM 602 CA ILE A 40 17.108 7.511 -11.080 1.00 0.00 C ATOM 603 C ILE A 40 17.657 8.550 -12.049 1.00 0.00 C ATOM 604 O ILE A 40 17.928 9.688 -11.667 1.00 0.00 O ATOM 605 CB ILE A 40 15.714 7.957 -10.601 1.00 0.00 C ATOM 606 CG1 ILE A 40 15.084 6.879 -9.714 1.00 0.00 C ATOM 607 CG2 ILE A 40 14.816 8.264 -11.790 1.00 0.00 C ATOM 608 CD1 ILE A 40 13.792 7.308 -9.056 1.00 0.00 C ATOM 0 H ILE A 40 17.750 7.791 -9.104 1.00 0.00 H new ATOM 0 HA ILE A 40 17.017 6.553 -11.592 1.00 0.00 H new ATOM 0 HB ILE A 40 15.825 8.867 -10.011 1.00 0.00 H new ATOM 0 HG12 ILE A 40 14.896 5.990 -10.316 1.00 0.00 H new ATOM 0 HG13 ILE A 40 15.798 6.595 -8.941 1.00 0.00 H new ATOM 0 HG21 ILE A 40 13.835 8.578 -11.434 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.259 9.064 -12.384 1.00 0.00 H new ATOM 0 HG23 ILE A 40 14.710 7.371 -12.406 1.00 0.00 H new ATOM 0 HD11 ILE A 40 13.407 6.492 -8.445 1.00 0.00 H new ATOM 0 HD12 ILE A 40 13.976 8.178 -8.426 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.061 7.564 -9.823 1.00 0.00 H new ATOM 620 N PRO A 41 17.820 8.150 -13.306 1.00 0.00 N ATOM 621 CA PRO A 41 18.321 9.051 -14.338 1.00 0.00 C ATOM 622 C PRO A 41 17.474 10.315 -14.423 1.00 0.00 C ATOM 623 O PRO A 41 16.250 10.263 -14.302 1.00 0.00 O ATOM 624 CB PRO A 41 18.251 8.223 -15.624 1.00 0.00 C ATOM 625 CG PRO A 41 18.336 6.808 -15.161 1.00 0.00 C ATOM 626 CD PRO A 41 17.597 6.773 -13.850 1.00 0.00 C ATOM 0 HA PRO A 41 19.333 9.403 -14.137 1.00 0.00 H new ATOM 0 HB2 PRO A 41 17.324 8.409 -16.166 1.00 0.00 H new ATOM 0 HB3 PRO A 41 19.070 8.469 -16.300 1.00 0.00 H new ATOM 0 HG2 PRO A 41 17.885 6.130 -15.885 1.00 0.00 H new ATOM 0 HG3 PRO A 41 19.373 6.497 -15.036 1.00 0.00 H new ATOM 0 HD2 PRO A 41 16.537 6.560 -13.989 1.00 0.00 H new ATOM 0 HD3 PRO A 41 17.992 6.006 -13.184 1.00 0.00 H new ATOM 634 N ARG A 42 18.134 11.449 -14.631 1.00 0.00 N ATOM 635 CA ARG A 42 17.443 12.729 -14.734 1.00 0.00 C ATOM 636 C ARG A 42 16.540 12.770 -15.960 1.00 0.00 C ATOM 637 O ARG A 42 15.498 13.426 -15.954 1.00 0.00 O ATOM 638 CB ARG A 42 18.408 13.906 -14.713 1.00 0.00 C ATOM 639 CG ARG A 42 19.024 14.203 -13.355 1.00 0.00 C ATOM 640 CD ARG A 42 19.965 15.352 -13.348 1.00 0.00 C ATOM 641 NE ARG A 42 20.292 15.856 -12.024 1.00 0.00 N ATOM 642 CZ ARG A 42 21.266 16.749 -11.764 1.00 0.00 C ATOM 643 NH1 ARG A 42 22.035 17.211 -12.724 1.00 0.00 N ATOM 644 NH2 ARG A 42 21.445 17.131 -10.511 1.00 0.00 N ATOM 0 H ARG A 42 19.147 11.508 -14.732 1.00 0.00 H new ATOM 0 HA ARG A 42 16.812 12.824 -13.851 1.00 0.00 H new ATOM 0 HB2 ARG A 42 19.210 13.713 -15.425 1.00 0.00 H new ATOM 0 HB3 ARG A 42 17.882 14.795 -15.060 1.00 0.00 H new ATOM 0 HG2 ARG A 42 18.224 14.400 -12.641 1.00 0.00 H new ATOM 0 HG3 ARG A 42 19.551 13.315 -13.006 1.00 0.00 H new ATOM 0 HD2 ARG A 42 20.887 15.053 -13.847 1.00 0.00 H new ATOM 0 HD3 ARG A 42 19.533 16.163 -13.935 1.00 0.00 H new ATOM 0 HE ARG A 42 19.745 15.509 -11.236 1.00 0.00 H new ATOM 0 HH11 ARG A 42 21.899 16.894 -13.684 1.00 0.00 H new ATOM 0 HH12 ARG A 42 22.768 17.887 -12.509 1.00 0.00 H new ATOM 0 HH21 ARG A 42 20.853 16.751 -9.772 1.00 0.00 H new ATOM 0 HH22 ARG A 42 22.175 17.806 -10.283 1.00 0.00 H new ATOM 658 N SER A 43 16.946 12.066 -17.011 1.00 0.00 N ATOM 659 CA SER A 43 16.135 11.955 -18.218 1.00 0.00 C ATOM 660 C SER A 43 14.839 11.204 -17.943 1.00 0.00 C ATOM 661 O SER A 43 13.832 11.414 -18.620 1.00 0.00 O ATOM 662 CB SER A 43 16.923 11.265 -19.314 1.00 0.00 C ATOM 663 OG SER A 43 17.214 9.932 -18.994 1.00 0.00 O ATOM 0 H SER A 43 17.833 11.563 -17.051 1.00 0.00 H new ATOM 0 HA SER A 43 15.876 12.961 -18.547 1.00 0.00 H new ATOM 0 HB2 SER A 43 16.356 11.299 -20.244 1.00 0.00 H new ATOM 0 HB3 SER A 43 17.853 11.807 -19.488 1.00 0.00 H new ATOM 0 HG SER A 43 17.721 9.523 -19.726 1.00 0.00 H new ATOM 669 N GLN A 44 14.869 10.327 -16.945 1.00 0.00 N ATOM 670 CA GLN A 44 13.675 9.604 -16.524 1.00 0.00 C ATOM 671 C GLN A 44 12.823 10.447 -15.583 1.00 0.00 C ATOM 672 O GLN A 44 11.595 10.424 -15.654 1.00 0.00 O ATOM 673 CB GLN A 44 14.058 8.291 -15.836 1.00 0.00 C ATOM 674 CG GLN A 44 14.742 7.287 -16.749 1.00 0.00 C ATOM 675 CD GLN A 44 13.880 6.904 -17.937 1.00 0.00 C ATOM 676 OE1 GLN A 44 12.693 6.600 -17.789 1.00 0.00 O ATOM 677 NE2 GLN A 44 14.474 6.913 -19.125 1.00 0.00 N ATOM 0 H GLN A 44 15.709 10.100 -16.412 1.00 0.00 H new ATOM 0 HA GLN A 44 13.090 9.384 -17.417 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.719 8.512 -14.998 1.00 0.00 H new ATOM 0 HB3 GLN A 44 13.159 7.835 -15.422 1.00 0.00 H new ATOM 0 HG2 GLN A 44 15.682 7.707 -17.106 1.00 0.00 H new ATOM 0 HG3 GLN A 44 14.989 6.391 -16.179 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.458 7.171 -19.201 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.946 6.662 -19.961 1.00 0.00 H new ATOM 686 N ILE A 45 13.484 11.192 -14.703 1.00 0.00 N ATOM 687 CA ILE A 45 12.789 12.061 -13.761 1.00 0.00 C ATOM 688 C ILE A 45 11.940 13.095 -14.489 1.00 0.00 C ATOM 689 O ILE A 45 10.789 13.336 -14.124 1.00 0.00 O ATOM 690 CB ILE A 45 13.776 12.786 -12.827 1.00 0.00 C ATOM 691 CG1 ILE A 45 14.446 11.787 -11.880 1.00 0.00 C ATOM 692 CG2 ILE A 45 13.063 13.875 -12.041 1.00 0.00 C ATOM 693 CD1 ILE A 45 15.606 12.366 -11.103 1.00 0.00 C ATOM 0 H ILE A 45 14.501 11.211 -14.623 1.00 0.00 H new ATOM 0 HA ILE A 45 12.141 11.421 -13.162 1.00 0.00 H new ATOM 0 HB ILE A 45 14.549 13.254 -13.436 1.00 0.00 H new ATOM 0 HG12 ILE A 45 13.702 11.411 -11.178 1.00 0.00 H new ATOM 0 HG13 ILE A 45 14.798 10.933 -12.458 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.775 14.377 -11.386 1.00 0.00 H new ATOM 0 HG22 ILE A 45 12.632 14.600 -12.732 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.269 13.430 -11.441 1.00 0.00 H new ATOM 0 HD11 ILE A 45 16.029 11.599 -10.454 1.00 0.00 H new ATOM 0 HD12 ILE A 45 16.370 12.716 -11.797 1.00 0.00 H new ATOM 0 HD13 ILE A 45 15.257 13.202 -10.497 1.00 0.00 H new ATOM 705 N GLN A 46 12.515 13.705 -15.520 1.00 0.00 N ATOM 706 CA GLN A 46 11.816 14.724 -16.295 1.00 0.00 C ATOM 707 C GLN A 46 10.552 14.160 -16.932 1.00 0.00 C ATOM 708 O GLN A 46 9.541 14.853 -17.048 1.00 0.00 O ATOM 709 CB GLN A 46 12.732 15.294 -17.381 1.00 0.00 C ATOM 710 CG GLN A 46 12.103 16.404 -18.205 1.00 0.00 C ATOM 711 CD GLN A 46 13.068 16.989 -19.219 1.00 0.00 C ATOM 712 OE1 GLN A 46 14.215 16.549 -19.331 1.00 0.00 O ATOM 713 NE2 GLN A 46 12.609 17.990 -19.962 1.00 0.00 N ATOM 0 H GLN A 46 13.464 13.511 -15.839 1.00 0.00 H new ATOM 0 HA GLN A 46 11.531 15.523 -15.611 1.00 0.00 H new ATOM 0 HB2 GLN A 46 13.640 15.674 -16.912 1.00 0.00 H new ATOM 0 HB3 GLN A 46 13.032 14.486 -18.049 1.00 0.00 H new ATOM 0 HG2 GLN A 46 11.226 16.016 -18.724 1.00 0.00 H new ATOM 0 HG3 GLN A 46 11.756 17.195 -17.540 1.00 0.00 H new ATOM 0 HE21 GLN A 46 11.653 18.322 -19.836 1.00 0.00 H new ATOM 0 HE22 GLN A 46 13.213 18.426 -20.659 1.00 0.00 H new ATOM 722 N ARG A 47 10.615 12.898 -17.343 1.00 0.00 N ATOM 723 CA ARG A 47 9.539 12.289 -18.116 1.00 0.00 C ATOM 724 C ARG A 47 8.625 11.456 -17.226 1.00 0.00 C ATOM 725 O ARG A 47 7.558 11.017 -17.654 1.00 0.00 O ATOM 726 CB ARG A 47 10.064 11.478 -19.291 1.00 0.00 C ATOM 727 CG ARG A 47 10.780 12.289 -20.359 1.00 0.00 C ATOM 728 CD ARG A 47 11.307 11.482 -21.489 1.00 0.00 C ATOM 729 NE ARG A 47 12.023 12.250 -22.495 1.00 0.00 N ATOM 730 CZ ARG A 47 12.714 11.713 -23.520 1.00 0.00 C ATOM 731 NH1 ARG A 47 12.817 10.409 -23.657 1.00 0.00 N ATOM 732 NH2 ARG A 47 13.307 12.532 -24.371 1.00 0.00 N ATOM 0 H ARG A 47 11.401 12.276 -17.153 1.00 0.00 H new ATOM 0 HA ARG A 47 8.946 13.102 -18.536 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.748 10.718 -18.913 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.228 10.953 -19.753 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.092 13.037 -20.752 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.607 12.828 -19.896 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.973 10.716 -21.092 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.476 10.965 -21.968 1.00 0.00 H new ATOM 0 HE ARG A 47 12.001 13.267 -22.420 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.370 9.788 -22.982 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.344 10.018 -24.438 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.235 13.541 -24.242 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.837 12.155 -25.157 1.00 0.00 H new ATOM 746 N ALA A 48 9.051 11.242 -15.986 1.00 0.00 N ATOM 747 CA ALA A 48 8.299 10.414 -15.050 1.00 0.00 C ATOM 748 C ALA A 48 7.013 11.105 -14.613 1.00 0.00 C ATOM 749 O ALA A 48 6.995 12.313 -14.381 1.00 0.00 O ATOM 750 CB ALA A 48 9.156 10.068 -13.841 1.00 0.00 C ATOM 0 H ALA A 48 9.914 11.631 -15.605 1.00 0.00 H new ATOM 0 HA ALA A 48 8.026 9.491 -15.561 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.580 9.450 -13.152 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.041 9.521 -14.167 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.461 10.985 -13.337 1.00 0.00 H new ATOM 756 N ARG A 49 5.939 10.330 -14.503 1.00 0.00 N ATOM 757 CA ARG A 49 4.664 10.853 -14.029 1.00 0.00 C ATOM 758 C ARG A 49 4.632 10.932 -12.508 1.00 0.00 C ATOM 759 O ARG A 49 5.384 10.236 -11.825 1.00 0.00 O ATOM 760 CB ARG A 49 3.482 10.061 -14.569 1.00 0.00 C ATOM 761 CG ARG A 49 3.274 10.169 -16.072 1.00 0.00 C ATOM 762 CD ARG A 49 2.088 9.433 -16.580 1.00 0.00 C ATOM 763 NE ARG A 49 2.172 7.988 -16.444 1.00 0.00 N ATOM 764 CZ ARG A 49 1.194 7.129 -16.791 1.00 0.00 C ATOM 765 NH1 ARG A 49 0.045 7.563 -17.259 1.00 0.00 N ATOM 766 NH2 ARG A 49 1.412 5.835 -16.626 1.00 0.00 N ATOM 0 H ARG A 49 5.927 9.337 -14.736 1.00 0.00 H new ATOM 0 HA ARG A 49 4.569 11.866 -14.419 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.618 9.011 -14.310 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.576 10.399 -14.066 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.175 11.221 -16.339 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.164 9.794 -16.578 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.203 9.784 -16.049 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.947 9.679 -17.633 1.00 0.00 H new ATOM 0 HE ARG A 49 3.032 7.597 -16.059 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.117 8.564 -17.364 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.684 6.898 -17.517 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.301 5.512 -16.245 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.691 5.160 -16.879 1.00 0.00 H new ATOM 780 N PRO A 50 3.758 11.783 -11.982 1.00 0.00 N ATOM 781 CA PRO A 50 3.583 11.909 -10.540 1.00 0.00 C ATOM 782 C PRO A 50 3.278 10.560 -9.903 1.00 0.00 C ATOM 783 O PRO A 50 3.710 10.279 -8.784 1.00 0.00 O ATOM 784 CB PRO A 50 2.419 12.894 -10.389 1.00 0.00 C ATOM 785 CG PRO A 50 2.442 13.692 -11.648 1.00 0.00 C ATOM 786 CD PRO A 50 2.868 12.729 -12.723 1.00 0.00 C ATOM 0 HA PRO A 50 4.482 12.262 -10.035 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.470 12.372 -10.267 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.548 13.530 -9.513 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.460 14.113 -11.864 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.137 14.528 -11.571 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.015 12.217 -13.170 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.397 13.233 -13.532 1.00 0.00 H new ATOM 794 N VAL A 51 2.533 9.726 -10.620 1.00 0.00 N ATOM 795 CA VAL A 51 2.133 8.421 -10.108 1.00 0.00 C ATOM 796 C VAL A 51 3.172 7.358 -10.438 1.00 0.00 C ATOM 797 O VAL A 51 3.166 6.270 -9.861 1.00 0.00 O ATOM 798 CB VAL A 51 0.769 7.985 -10.675 1.00 0.00 C ATOM 799 CG1 VAL A 51 -0.306 9.002 -10.319 1.00 0.00 C ATOM 800 CG2 VAL A 51 0.852 7.806 -12.183 1.00 0.00 C ATOM 0 H VAL A 51 2.193 9.931 -11.560 1.00 0.00 H new ATOM 0 HA VAL A 51 2.051 8.520 -9.026 1.00 0.00 H new ATOM 0 HB VAL A 51 0.500 7.028 -10.228 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.263 8.678 -10.728 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.384 9.085 -9.235 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.042 9.973 -10.739 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.121 7.498 -12.567 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.143 8.749 -12.646 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.594 7.043 -12.419 1.00 0.00 H new ATOM 810 N LYS A 52 4.065 7.678 -11.368 1.00 0.00 N ATOM 811 CA LYS A 52 5.117 6.753 -11.772 1.00 0.00 C ATOM 812 C LYS A 52 6.291 6.797 -10.802 1.00 0.00 C ATOM 813 O LYS A 52 6.914 5.774 -10.520 1.00 0.00 O ATOM 814 CB LYS A 52 5.595 7.071 -13.190 1.00 0.00 C ATOM 815 CG LYS A 52 6.614 6.085 -13.746 1.00 0.00 C ATOM 816 CD LYS A 52 6.894 6.350 -15.217 1.00 0.00 C ATOM 817 CE LYS A 52 7.905 5.360 -15.776 1.00 0.00 C ATOM 818 NZ LYS A 52 8.111 5.540 -17.239 1.00 0.00 N ATOM 0 H LYS A 52 4.081 8.573 -11.857 1.00 0.00 H new ATOM 0 HA LYS A 52 4.699 5.746 -11.757 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.731 7.096 -13.855 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.032 8.070 -13.198 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.542 6.158 -13.178 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.244 5.067 -13.622 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.965 6.283 -15.784 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.270 7.366 -15.340 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.856 5.482 -15.258 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.564 4.344 -15.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.807 4.846 -17.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.209 5.398 -17.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.462 6.501 -17.425 1.00 0.00 H new ATOM 832 N MET A 53 6.588 7.988 -10.294 1.00 0.00 N ATOM 833 CA MET A 53 7.707 8.173 -9.378 1.00 0.00 C ATOM 834 C MET A 53 7.500 7.388 -8.089 1.00 0.00 C ATOM 835 O MET A 53 8.462 6.989 -7.433 1.00 0.00 O ATOM 836 CB MET A 53 7.897 9.657 -9.069 1.00 0.00 C ATOM 837 CG MET A 53 8.492 10.468 -10.212 1.00 0.00 C ATOM 838 SD MET A 53 8.718 12.206 -9.787 1.00 0.00 S ATOM 839 CE MET A 53 9.558 12.805 -11.250 1.00 0.00 C ATOM 0 H MET A 53 6.068 8.841 -10.502 1.00 0.00 H new ATOM 0 HA MET A 53 8.606 7.793 -9.863 1.00 0.00 H new ATOM 0 HB2 MET A 53 6.932 10.086 -8.800 1.00 0.00 H new ATOM 0 HB3 MET A 53 8.543 9.754 -8.197 1.00 0.00 H new ATOM 0 HG2 MET A 53 9.453 10.039 -10.495 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.841 10.393 -11.083 1.00 0.00 H new ATOM 0 HE1 MET A 53 10.031 13.763 -11.032 1.00 0.00 H new ATOM 0 HE2 MET A 53 10.319 12.086 -11.553 1.00 0.00 H new ATOM 0 HE3 MET A 53 8.837 12.932 -12.057 1.00 0.00 H new ATOM 849 N ALA A 54 6.240 7.170 -7.732 1.00 0.00 N ATOM 850 CA ALA A 54 5.903 6.348 -6.575 1.00 0.00 C ATOM 851 C ALA A 54 6.520 4.960 -6.687 1.00 0.00 C ATOM 852 O ALA A 54 7.038 4.420 -5.710 1.00 0.00 O ATOM 853 CB ALA A 54 4.392 6.249 -6.418 1.00 0.00 C ATOM 0 H ALA A 54 5.434 7.551 -8.227 1.00 0.00 H new ATOM 0 HA ALA A 54 6.317 6.828 -5.688 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.156 5.633 -5.551 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.975 7.246 -6.279 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.962 5.797 -7.312 1.00 0.00 H new ATOM 859 N THR A 55 6.462 4.387 -7.884 1.00 0.00 N ATOM 860 CA THR A 55 7.046 3.075 -8.135 1.00 0.00 C ATOM 861 C THR A 55 8.560 3.164 -8.276 1.00 0.00 C ATOM 862 O THR A 55 9.293 2.327 -7.750 1.00 0.00 O ATOM 863 CB THR A 55 6.460 2.427 -9.403 1.00 0.00 C ATOM 864 OG1 THR A 55 5.047 2.247 -9.241 1.00 0.00 O ATOM 865 CG2 THR A 55 7.112 1.079 -9.664 1.00 0.00 C ATOM 0 H THR A 55 6.016 4.812 -8.697 1.00 0.00 H new ATOM 0 HA THR A 55 6.800 2.453 -7.274 1.00 0.00 H new ATOM 0 HB THR A 55 6.655 3.083 -10.251 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.675 1.836 -10.049 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.685 0.636 -10.564 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.185 1.214 -9.800 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.934 0.418 -8.815 1.00 0.00 H new ATOM 873 N LEU A 56 9.024 4.184 -8.991 1.00 0.00 N ATOM 874 CA LEU A 56 10.442 4.322 -9.299 1.00 0.00 C ATOM 875 C LEU A 56 11.274 4.435 -8.028 1.00 0.00 C ATOM 876 O LEU A 56 12.276 3.739 -7.865 1.00 0.00 O ATOM 877 CB LEU A 56 10.673 5.542 -10.199 1.00 0.00 C ATOM 878 CG LEU A 56 10.125 5.414 -11.626 1.00 0.00 C ATOM 879 CD1 LEU A 56 10.244 6.747 -12.352 1.00 0.00 C ATOM 880 CD2 LEU A 56 10.886 4.326 -12.367 1.00 0.00 C ATOM 0 H LEU A 56 8.437 4.928 -9.368 1.00 0.00 H new ATOM 0 HA LEU A 56 10.761 3.425 -9.830 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.216 6.412 -9.728 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.744 5.735 -10.254 1.00 0.00 H new ATOM 0 HG LEU A 56 9.071 5.140 -11.588 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.852 6.646 -13.364 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.673 7.505 -11.816 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.292 7.045 -12.396 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.496 4.235 -13.381 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.944 4.585 -12.407 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.764 3.377 -11.845 1.00 0.00 H new ATOM 892 N LEU A 57 10.852 5.317 -7.128 1.00 0.00 N ATOM 893 CA LEU A 57 11.602 5.584 -5.906 1.00 0.00 C ATOM 894 C LEU A 57 11.703 4.336 -5.039 1.00 0.00 C ATOM 895 O LEU A 57 12.721 4.103 -4.386 1.00 0.00 O ATOM 896 CB LEU A 57 10.947 6.728 -5.121 1.00 0.00 C ATOM 897 CG LEU A 57 11.034 8.108 -5.785 1.00 0.00 C ATOM 898 CD1 LEU A 57 10.171 9.107 -5.026 1.00 0.00 C ATOM 899 CD2 LEU A 57 12.485 8.566 -5.819 1.00 0.00 C ATOM 0 H LEU A 57 9.993 5.860 -7.222 1.00 0.00 H new ATOM 0 HA LEU A 57 12.613 5.881 -6.187 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.897 6.484 -4.963 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.413 6.786 -4.137 1.00 0.00 H new ATOM 0 HG LEU A 57 10.663 8.044 -6.808 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.239 10.084 -5.505 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.134 8.771 -5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.521 9.182 -3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.546 9.547 -6.291 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.871 8.628 -4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 57 13.079 7.851 -6.389 1.00 0.00 H new ATOM 911 N VAL A 58 10.643 3.536 -5.036 1.00 0.00 N ATOM 912 CA VAL A 58 10.623 2.293 -4.274 1.00 0.00 C ATOM 913 C VAL A 58 11.578 1.266 -4.869 1.00 0.00 C ATOM 914 O VAL A 58 12.286 0.569 -4.142 1.00 0.00 O ATOM 915 CB VAL A 58 9.207 1.688 -4.216 1.00 0.00 C ATOM 916 CG1 VAL A 58 9.248 0.296 -3.604 1.00 0.00 C ATOM 917 CG2 VAL A 58 8.275 2.591 -3.422 1.00 0.00 C ATOM 0 H VAL A 58 9.785 3.726 -5.554 1.00 0.00 H new ATOM 0 HA VAL A 58 10.945 2.541 -3.262 1.00 0.00 H new ATOM 0 HB VAL A 58 8.825 1.606 -5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.240 -0.117 -3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.884 -0.349 -4.210 1.00 0.00 H new ATOM 0 HG13 VAL A 58 9.650 0.355 -2.592 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.279 2.149 -3.391 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.654 2.702 -2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.223 3.570 -3.899 1.00 0.00 H new ATOM 927 N THR A 59 11.595 1.179 -6.195 1.00 0.00 N ATOM 928 CA THR A 59 12.452 0.226 -6.889 1.00 0.00 C ATOM 929 C THR A 59 13.922 0.600 -6.743 1.00 0.00 C ATOM 930 O THR A 59 14.765 -0.254 -6.469 1.00 0.00 O ATOM 931 CB THR A 59 12.102 0.138 -8.386 1.00 0.00 C ATOM 932 OG1 THR A 59 10.761 -0.345 -8.538 1.00 0.00 O ATOM 933 CG2 THR A 59 13.060 -0.802 -9.103 1.00 0.00 C ATOM 0 H THR A 59 11.024 1.758 -6.811 1.00 0.00 H new ATOM 0 HA THR A 59 12.280 -0.746 -6.427 1.00 0.00 H new ATOM 0 HB THR A 59 12.189 1.133 -8.824 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.129 0.373 -8.326 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.798 -0.852 -10.160 1.00 0.00 H new ATOM 0 HG22 THR A 59 14.080 -0.431 -8.999 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.990 -1.797 -8.664 1.00 0.00 H new ATOM 941 N TYR A 60 14.223 1.881 -6.929 1.00 0.00 N ATOM 942 CA TYR A 60 15.604 2.339 -7.013 1.00 0.00 C ATOM 943 C TYR A 60 16.223 2.479 -5.628 1.00 0.00 C ATOM 944 O TYR A 60 17.389 2.143 -5.421 1.00 0.00 O ATOM 945 CB TYR A 60 15.682 3.672 -7.760 1.00 0.00 C ATOM 946 CG TYR A 60 15.755 3.529 -9.264 1.00 0.00 C ATOM 947 CD1 TYR A 60 14.606 3.348 -10.020 1.00 0.00 C ATOM 948 CD2 TYR A 60 16.974 3.576 -9.924 1.00 0.00 C ATOM 949 CE1 TYR A 60 14.668 3.216 -11.393 1.00 0.00 C ATOM 950 CE2 TYR A 60 17.048 3.446 -11.297 1.00 0.00 C ATOM 951 CZ TYR A 60 15.892 3.266 -12.029 1.00 0.00 C ATOM 952 OH TYR A 60 15.959 3.136 -13.397 1.00 0.00 O ATOM 0 H TYR A 60 13.527 2.621 -7.024 1.00 0.00 H new ATOM 0 HA TYR A 60 16.170 1.589 -7.566 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.809 4.272 -7.504 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.558 4.220 -7.414 1.00 0.00 H new ATOM 0 HD1 TYR A 60 13.646 3.310 -9.526 1.00 0.00 H new ATOM 0 HD2 TYR A 60 17.881 3.717 -9.355 1.00 0.00 H new ATOM 0 HE1 TYR A 60 13.764 3.074 -11.966 1.00 0.00 H new ATOM 0 HE2 TYR A 60 18.005 3.485 -11.795 1.00 0.00 H new ATOM 0 HH TYR A 60 16.894 3.195 -13.686 1.00 0.00 H new ATOM 962 N TYR A 61 15.436 2.979 -4.681 1.00 0.00 N ATOM 963 CA TYR A 61 15.957 3.361 -3.374 1.00 0.00 C ATOM 964 C TYR A 61 15.354 2.504 -2.269 1.00 0.00 C ATOM 965 O TYR A 61 16.066 2.014 -1.392 1.00 0.00 O ATOM 966 CB TYR A 61 15.681 4.842 -3.100 1.00 0.00 C ATOM 967 CG TYR A 61 16.255 5.775 -4.143 1.00 0.00 C ATOM 968 CD1 TYR A 61 17.570 6.209 -4.062 1.00 0.00 C ATOM 969 CD2 TYR A 61 15.480 6.222 -5.203 1.00 0.00 C ATOM 970 CE1 TYR A 61 18.100 7.062 -5.010 1.00 0.00 C ATOM 971 CE2 TYR A 61 16.000 7.075 -6.158 1.00 0.00 C ATOM 972 CZ TYR A 61 17.311 7.493 -6.058 1.00 0.00 C ATOM 973 OH TYR A 61 17.834 8.343 -7.005 1.00 0.00 O ATOM 0 H TYR A 61 14.434 3.129 -4.795 1.00 0.00 H new ATOM 0 HA TYR A 61 17.034 3.197 -3.383 1.00 0.00 H new ATOM 0 HB2 TYR A 61 14.604 4.996 -3.042 1.00 0.00 H new ATOM 0 HB3 TYR A 61 16.093 5.104 -2.126 1.00 0.00 H new ATOM 0 HD1 TYR A 61 18.190 5.874 -3.244 1.00 0.00 H new ATOM 0 HD2 TYR A 61 14.453 5.898 -5.283 1.00 0.00 H new ATOM 0 HE1 TYR A 61 19.126 7.390 -4.932 1.00 0.00 H new ATOM 0 HE2 TYR A 61 15.384 7.412 -6.978 1.00 0.00 H new ATOM 0 HH TYR A 61 18.671 8.729 -6.671 1.00 0.00 H new ATOM 983 N GLY A 62 14.038 2.327 -2.316 1.00 0.00 N ATOM 984 CA GLY A 62 13.344 1.480 -1.352 1.00 0.00 C ATOM 985 C GLY A 62 12.051 2.131 -0.879 1.00 0.00 C ATOM 986 O GLY A 62 11.800 3.305 -1.150 1.00 0.00 O ATOM 0 H GLY A 62 13.430 2.759 -3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 62 13.123 0.514 -1.805 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.993 1.290 -0.497 1.00 0.00 H new ATOM 990 N GLU A 63 11.232 1.360 -0.171 1.00 0.00 N ATOM 991 CA GLU A 63 9.940 1.845 0.300 1.00 0.00 C ATOM 992 C GLU A 63 10.110 2.971 1.312 1.00 0.00 C ATOM 993 O GLU A 63 9.510 4.037 1.175 1.00 0.00 O ATOM 994 CB GLU A 63 9.131 0.702 0.917 1.00 0.00 C ATOM 995 CG GLU A 63 8.610 -0.314 -0.090 1.00 0.00 C ATOM 996 CD GLU A 63 7.917 -1.458 0.596 1.00 0.00 C ATOM 997 OE1 GLU A 63 7.899 -1.479 1.804 1.00 0.00 O ATOM 998 OE2 GLU A 63 7.309 -2.252 -0.082 1.00 0.00 O ATOM 0 H GLU A 63 11.440 0.396 0.089 1.00 0.00 H new ATOM 0 HA GLU A 63 9.398 2.238 -0.560 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.754 0.185 1.647 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.285 1.124 1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.918 0.174 -0.777 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.438 -0.694 -0.688 1.00 0.00 H new ATOM 1005 N GLU A 64 10.930 2.727 2.329 1.00 0.00 N ATOM 1006 CA GLU A 64 11.169 3.715 3.375 1.00 0.00 C ATOM 1007 C GLU A 64 11.908 4.929 2.828 1.00 0.00 C ATOM 1008 O GLU A 64 11.697 6.053 3.283 1.00 0.00 O ATOM 1009 CB GLU A 64 11.960 3.093 4.528 1.00 0.00 C ATOM 1010 CG GLU A 64 11.179 2.078 5.351 1.00 0.00 C ATOM 1011 CD GLU A 64 12.050 1.434 6.393 1.00 0.00 C ATOM 1012 OE1 GLU A 64 13.222 1.723 6.422 1.00 0.00 O ATOM 1013 OE2 GLU A 64 11.525 0.739 7.231 1.00 0.00 O ATOM 0 H GLU A 64 11.441 1.853 2.451 1.00 0.00 H new ATOM 0 HA GLU A 64 10.200 4.046 3.748 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.848 2.608 4.123 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.304 3.890 5.188 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.335 2.570 5.833 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.768 1.312 4.693 1.00 0.00 H new ATOM 1020 N TYR A 65 12.775 4.696 1.849 1.00 0.00 N ATOM 1021 CA TYR A 65 13.555 5.769 1.245 1.00 0.00 C ATOM 1022 C TYR A 65 12.711 6.586 0.274 1.00 0.00 C ATOM 1023 O TYR A 65 12.932 7.784 0.101 1.00 0.00 O ATOM 1024 CB TYR A 65 14.780 5.201 0.525 1.00 0.00 C ATOM 1025 CG TYR A 65 15.793 4.562 1.449 1.00 0.00 C ATOM 1026 CD1 TYR A 65 16.736 5.332 2.112 1.00 0.00 C ATOM 1027 CD2 TYR A 65 15.804 3.190 1.655 1.00 0.00 C ATOM 1028 CE1 TYR A 65 17.664 4.754 2.957 1.00 0.00 C ATOM 1029 CE2 TYR A 65 16.726 2.601 2.498 1.00 0.00 C ATOM 1030 CZ TYR A 65 17.655 3.388 3.148 1.00 0.00 C ATOM 1031 OH TYR A 65 18.577 2.807 3.988 1.00 0.00 O ATOM 0 H TYR A 65 12.955 3.772 1.456 1.00 0.00 H new ATOM 0 HA TYR A 65 13.888 6.429 2.046 1.00 0.00 H new ATOM 0 HB2 TYR A 65 14.450 4.461 -0.204 1.00 0.00 H new ATOM 0 HB3 TYR A 65 15.266 6.002 -0.032 1.00 0.00 H new ATOM 0 HD1 TYR A 65 16.746 6.402 1.966 1.00 0.00 H new ATOM 0 HD2 TYR A 65 15.079 2.572 1.147 1.00 0.00 H new ATOM 0 HE1 TYR A 65 18.392 5.368 3.465 1.00 0.00 H new ATOM 0 HE2 TYR A 65 16.720 1.531 2.648 1.00 0.00 H new ATOM 0 HH TYR A 65 18.433 1.838 4.012 1.00 0.00 H new ATOM 1041 N ALA A 66 11.743 5.929 -0.356 1.00 0.00 N ATOM 1042 CA ALA A 66 10.832 6.603 -1.274 1.00 0.00 C ATOM 1043 C ALA A 66 9.969 7.623 -0.542 1.00 0.00 C ATOM 1044 O ALA A 66 9.716 8.715 -1.051 1.00 0.00 O ATOM 1045 CB ALA A 66 9.960 5.587 -1.997 1.00 0.00 C ATOM 0 H ALA A 66 11.569 4.930 -0.248 1.00 0.00 H new ATOM 0 HA ALA A 66 11.430 7.138 -2.012 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.286 6.106 -2.678 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.592 4.903 -2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.377 5.024 -1.268 1.00 0.00 H new ATOM 1051 N VAL A 67 9.519 7.261 0.654 1.00 0.00 N ATOM 1052 CA VAL A 67 8.722 8.162 1.478 1.00 0.00 C ATOM 1053 C VAL A 67 9.536 9.375 1.911 1.00 0.00 C ATOM 1054 O VAL A 67 9.060 10.509 1.844 1.00 0.00 O ATOM 1055 CB VAL A 67 8.176 7.449 2.730 1.00 0.00 C ATOM 1056 CG1 VAL A 67 7.533 8.452 3.676 1.00 0.00 C ATOM 1057 CG2 VAL A 67 7.176 6.373 2.336 1.00 0.00 C ATOM 0 H VAL A 67 9.693 6.348 1.075 1.00 0.00 H new ATOM 0 HA VAL A 67 7.883 8.491 0.864 1.00 0.00 H new ATOM 0 HB VAL A 67 9.009 6.973 3.247 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.153 7.931 4.555 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.275 9.189 3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.710 8.955 3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.800 5.880 3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.345 6.828 1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.665 5.639 1.696 1.00 0.00 H new ATOM 1067 N GLN A 68 10.764 9.130 2.355 1.00 0.00 N ATOM 1068 CA GLN A 68 11.639 10.201 2.816 1.00 0.00 C ATOM 1069 C GLN A 68 12.028 11.127 1.671 1.00 0.00 C ATOM 1070 O GLN A 68 12.042 12.348 1.824 1.00 0.00 O ATOM 1071 CB GLN A 68 12.900 9.621 3.463 1.00 0.00 C ATOM 1072 CG GLN A 68 12.663 8.967 4.813 1.00 0.00 C ATOM 1073 CD GLN A 68 13.912 8.303 5.361 1.00 0.00 C ATOM 1074 OE1 GLN A 68 14.950 8.255 4.696 1.00 0.00 O ATOM 1075 NE2 GLN A 68 13.817 7.782 6.579 1.00 0.00 N ATOM 0 H GLN A 68 11.176 8.198 2.405 1.00 0.00 H new ATOM 0 HA GLN A 68 11.089 10.781 3.557 1.00 0.00 H new ATOM 0 HB2 GLN A 68 13.336 8.885 2.787 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.633 10.419 3.582 1.00 0.00 H new ATOM 0 HG2 GLN A 68 12.314 9.718 5.521 1.00 0.00 H new ATOM 0 HG3 GLN A 68 11.871 8.224 4.720 1.00 0.00 H new ATOM 0 HE21 GLN A 68 12.938 7.845 7.093 1.00 0.00 H new ATOM 0 HE22 GLN A 68 14.623 7.319 7.000 1.00 0.00 H new ATOM 1084 N LEU A 69 12.343 10.538 0.522 1.00 0.00 N ATOM 1085 CA LEU A 69 12.754 11.308 -0.646 1.00 0.00 C ATOM 1086 C LEU A 69 11.641 12.238 -1.112 1.00 0.00 C ATOM 1087 O LEU A 69 11.863 13.431 -1.323 1.00 0.00 O ATOM 1088 CB LEU A 69 13.172 10.366 -1.782 1.00 0.00 C ATOM 1089 CG LEU A 69 14.515 9.653 -1.577 1.00 0.00 C ATOM 1090 CD1 LEU A 69 14.681 8.547 -2.610 1.00 0.00 C ATOM 1091 CD2 LEU A 69 15.648 10.662 -1.680 1.00 0.00 C ATOM 0 H LEU A 69 12.321 9.529 0.375 1.00 0.00 H new ATOM 0 HA LEU A 69 13.609 11.922 -0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.395 9.613 -1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.220 10.938 -2.708 1.00 0.00 H new ATOM 0 HG LEU A 69 14.539 9.200 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 69 15.637 8.047 -2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.872 7.825 -2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.653 8.977 -3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.602 10.154 -1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.632 11.128 -2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 69 15.524 11.428 -0.914 1.00 0.00 H new ATOM 1103 N THR A 70 10.443 11.686 -1.270 1.00 0.00 N ATOM 1104 CA THR A 70 9.295 12.463 -1.721 1.00 0.00 C ATOM 1105 C THR A 70 8.944 13.558 -0.721 1.00 0.00 C ATOM 1106 O THR A 70 8.678 14.698 -1.102 1.00 0.00 O ATOM 1107 CB THR A 70 8.060 11.571 -1.944 1.00 0.00 C ATOM 1108 OG1 THR A 70 8.331 10.628 -2.989 1.00 0.00 O ATOM 1109 CG2 THR A 70 6.854 12.414 -2.327 1.00 0.00 C ATOM 0 H THR A 70 10.242 10.702 -1.092 1.00 0.00 H new ATOM 0 HA THR A 70 9.578 12.918 -2.670 1.00 0.00 H new ATOM 0 HB THR A 70 7.840 11.043 -1.016 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.793 9.849 -2.615 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.991 11.766 -2.480 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.638 13.123 -1.528 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.068 12.958 -3.247 1.00 0.00 H new ATOM 1117 N LEU A 71 8.944 13.204 0.560 1.00 0.00 N ATOM 1118 CA LEU A 71 8.626 14.156 1.617 1.00 0.00 C ATOM 1119 C LEU A 71 9.528 15.381 1.547 1.00 0.00 C ATOM 1120 O LEU A 71 9.055 16.516 1.590 1.00 0.00 O ATOM 1121 CB LEU A 71 8.746 13.483 2.990 1.00 0.00 C ATOM 1122 CG LEU A 71 8.151 14.276 4.161 1.00 0.00 C ATOM 1123 CD1 LEU A 71 7.901 13.351 5.344 1.00 0.00 C ATOM 1124 CD2 LEU A 71 9.100 15.401 4.547 1.00 0.00 C ATOM 0 H LEU A 71 9.161 12.264 0.891 1.00 0.00 H new ATOM 0 HA LEU A 71 7.598 14.489 1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.256 12.511 2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.800 13.299 3.196 1.00 0.00 H new ATOM 0 HG LEU A 71 7.197 14.709 3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.479 13.923 6.170 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.203 12.567 5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.842 12.900 5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.677 15.964 5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.061 14.981 4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.243 16.065 3.695 1.00 0.00 H new ATOM 1136 N GLN A 72 10.831 15.144 1.438 1.00 0.00 N ATOM 1137 CA GLN A 72 11.809 16.226 1.434 1.00 0.00 C ATOM 1138 C GLN A 72 11.655 17.103 0.198 1.00 0.00 C ATOM 1139 O GLN A 72 11.764 18.326 0.276 1.00 0.00 O ATOM 1140 CB GLN A 72 13.231 15.662 1.494 1.00 0.00 C ATOM 1141 CG GLN A 72 13.616 15.087 2.846 1.00 0.00 C ATOM 1142 CD GLN A 72 14.974 14.410 2.822 1.00 0.00 C ATOM 1143 OE1 GLN A 72 15.607 14.296 1.769 1.00 0.00 O ATOM 1144 NE2 GLN A 72 15.426 13.953 3.984 1.00 0.00 N ATOM 0 H GLN A 72 11.235 14.211 1.351 1.00 0.00 H new ATOM 0 HA GLN A 72 11.629 16.839 2.317 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.333 14.883 0.738 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.935 16.453 1.234 1.00 0.00 H new ATOM 0 HG2 GLN A 72 13.624 15.885 3.588 1.00 0.00 H new ATOM 0 HG3 GLN A 72 12.860 14.367 3.160 1.00 0.00 H new ATOM 0 HE21 GLN A 72 14.868 14.070 4.830 1.00 0.00 H new ATOM 0 HE22 GLN A 72 16.331 13.485 4.031 1.00 0.00 H new ATOM 1153 N VAL A 73 11.401 16.470 -0.942 1.00 0.00 N ATOM 1154 CA VAL A 73 11.227 17.192 -2.197 1.00 0.00 C ATOM 1155 C VAL A 73 9.949 18.021 -2.182 1.00 0.00 C ATOM 1156 O VAL A 73 9.899 19.113 -2.749 1.00 0.00 O ATOM 1157 CB VAL A 73 11.191 16.233 -3.401 1.00 0.00 C ATOM 1158 CG1 VAL A 73 10.819 16.985 -4.670 1.00 0.00 C ATOM 1159 CG2 VAL A 73 12.534 15.538 -3.569 1.00 0.00 C ATOM 0 H VAL A 73 11.311 15.457 -1.023 1.00 0.00 H new ATOM 0 HA VAL A 73 12.086 17.855 -2.299 1.00 0.00 H new ATOM 0 HB VAL A 73 10.431 15.474 -3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.798 16.292 -5.511 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.835 17.438 -4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 73 11.557 17.765 -4.860 1.00 0.00 H new ATOM 0 HG21 VAL A 73 12.490 14.864 -4.425 1.00 0.00 H new ATOM 0 HG22 VAL A 73 13.312 16.284 -3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.764 14.967 -2.669 1.00 0.00 H new ATOM 1169 N LEU A 74 8.916 17.495 -1.532 1.00 0.00 N ATOM 1170 CA LEU A 74 7.678 18.238 -1.333 1.00 0.00 C ATOM 1171 C LEU A 74 7.919 19.504 -0.521 1.00 0.00 C ATOM 1172 O LEU A 74 7.407 20.573 -0.853 1.00 0.00 O ATOM 1173 CB LEU A 74 6.633 17.352 -0.643 1.00 0.00 C ATOM 1174 CG LEU A 74 6.005 16.270 -1.531 1.00 0.00 C ATOM 1175 CD1 LEU A 74 5.166 15.322 -0.685 1.00 0.00 C ATOM 1176 CD2 LEU A 74 5.156 16.927 -2.609 1.00 0.00 C ATOM 0 H LEU A 74 8.912 16.556 -1.134 1.00 0.00 H new ATOM 0 HA LEU A 74 7.301 18.534 -2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.100 16.869 0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.838 17.989 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 74 6.793 15.690 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.725 14.558 -1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.799 14.847 0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.373 15.882 -0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.710 16.158 -3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.367 17.516 -2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.782 17.578 -3.219 1.00 0.00 H new ATOM 1188 N ARG A 75 8.701 19.376 0.546 1.00 0.00 N ATOM 1189 CA ARG A 75 9.061 20.522 1.373 1.00 0.00 C ATOM 1190 C ARG A 75 9.899 21.525 0.591 1.00 0.00 C ATOM 1191 O ARG A 75 9.838 22.728 0.841 1.00 0.00 O ATOM 1192 CB ARG A 75 9.752 20.104 2.663 1.00 0.00 C ATOM 1193 CG ARG A 75 8.852 19.417 3.677 1.00 0.00 C ATOM 1194 CD ARG A 75 9.560 18.915 4.883 1.00 0.00 C ATOM 1195 NE ARG A 75 10.159 19.954 5.706 1.00 0.00 N ATOM 1196 CZ ARG A 75 11.014 19.727 6.721 1.00 0.00 C ATOM 1197 NH1 ARG A 75 11.345 18.503 7.068 1.00 0.00 N ATOM 1198 NH2 ARG A 75 11.495 20.769 7.377 1.00 0.00 N ATOM 0 H ARG A 75 9.098 18.490 0.858 1.00 0.00 H new ATOM 0 HA ARG A 75 8.132 21.015 1.659 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.575 19.433 2.416 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.189 20.988 3.127 1.00 0.00 H new ATOM 0 HG2 ARG A 75 8.077 20.117 3.990 1.00 0.00 H new ATOM 0 HG3 ARG A 75 8.349 18.581 3.191 1.00 0.00 H new ATOM 0 HD2 ARG A 75 8.857 18.347 5.492 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.341 18.223 4.569 1.00 0.00 H new ATOM 0 HE ARG A 75 9.914 20.922 5.500 1.00 0.00 H new ATOM 0 HH11 ARG A 75 10.953 17.707 6.566 1.00 0.00 H new ATOM 0 HH12 ARG A 75 11.994 18.350 7.840 1.00 0.00 H new ATOM 0 HH21 ARG A 75 11.216 21.713 7.109 1.00 0.00 H new ATOM 0 HH22 ARG A 75 12.145 20.629 8.151 1.00 0.00 H new ATOM 1212 N ALA A 76 10.682 21.021 -0.357 1.00 0.00 N ATOM 1213 CA ALA A 76 11.519 21.874 -1.192 1.00 0.00 C ATOM 1214 C ALA A 76 10.672 22.762 -2.096 1.00 0.00 C ATOM 1215 O ALA A 76 11.117 23.824 -2.532 1.00 0.00 O ATOM 1216 CB ALA A 76 12.477 21.030 -2.020 1.00 0.00 C ATOM 0 H ALA A 76 10.754 20.025 -0.566 1.00 0.00 H new ATOM 0 HA ALA A 76 12.101 22.522 -0.536 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.095 21.682 -2.638 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.115 20.447 -1.356 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.908 20.356 -2.660 1.00 0.00 H new ATOM 1222 N ILE A 77 9.450 22.320 -2.373 1.00 0.00 N ATOM 1223 CA ILE A 77 8.553 23.055 -3.257 1.00 0.00 C ATOM 1224 C ILE A 77 7.370 23.629 -2.488 1.00 0.00 C ATOM 1225 O ILE A 77 6.333 23.947 -3.071 1.00 0.00 O ATOM 1226 CB ILE A 77 8.028 22.162 -4.397 1.00 0.00 C ATOM 1227 CG1 ILE A 77 7.243 20.977 -3.829 1.00 0.00 C ATOM 1228 CG2 ILE A 77 9.179 21.676 -5.264 1.00 0.00 C ATOM 1229 CD1 ILE A 77 6.456 20.212 -4.868 1.00 0.00 C ATOM 0 H ILE A 77 9.058 21.456 -1.998 1.00 0.00 H new ATOM 0 HA ILE A 77 9.133 23.872 -3.686 1.00 0.00 H new ATOM 0 HB ILE A 77 7.356 22.753 -5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.937 20.295 -3.338 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.558 21.341 -3.063 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.791 21.046 -6.065 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.697 22.533 -5.695 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.875 21.100 -4.655 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.927 19.388 -4.390 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.736 20.879 -5.343 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.137 19.817 -5.622 1.00 0.00 H new ATOM 1241 N ASN A 78 7.531 23.759 -1.175 1.00 0.00 N ATOM 1242 CA ASN A 78 6.547 24.446 -0.347 1.00 0.00 C ATOM 1243 C ASN A 78 5.227 23.688 -0.317 1.00 0.00 C ATOM 1244 O ASN A 78 4.156 24.290 -0.237 1.00 0.00 O ATOM 1245 CB ASN A 78 6.323 25.871 -0.819 1.00 0.00 C ATOM 1246 CG ASN A 78 7.511 26.771 -0.614 1.00 0.00 C ATOM 1247 OD1 ASN A 78 8.342 26.543 0.273 1.00 0.00 O ATOM 1248 ND2 ASN A 78 7.552 27.834 -1.375 1.00 0.00 N ATOM 0 H ASN A 78 8.335 23.397 -0.661 1.00 0.00 H new ATOM 0 HA ASN A 78 6.948 24.482 0.666 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.068 25.857 -1.879 1.00 0.00 H new ATOM 0 HB3 ASN A 78 5.466 26.289 -0.290 1.00 0.00 H new ATOM 0 HD21 ASN A 78 8.295 28.522 -1.250 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.841 27.975 -2.093 1.00 0.00 H new ATOM 1255 N GLN A 79 5.309 22.363 -0.381 1.00 0.00 N ATOM 1256 CA GLN A 79 4.143 21.512 -0.177 1.00 0.00 C ATOM 1257 C GLN A 79 4.211 20.798 1.166 1.00 0.00 C ATOM 1258 O GLN A 79 4.412 19.585 1.225 1.00 0.00 O ATOM 1259 CB GLN A 79 4.027 20.483 -1.305 1.00 0.00 C ATOM 1260 CG GLN A 79 3.772 21.086 -2.675 1.00 0.00 C ATOM 1261 CD GLN A 79 2.432 21.792 -2.757 1.00 0.00 C ATOM 1262 OE1 GLN A 79 1.412 21.272 -2.296 1.00 0.00 O ATOM 1263 NE2 GLN A 79 2.425 22.981 -3.348 1.00 0.00 N ATOM 0 H GLN A 79 6.172 21.855 -0.573 1.00 0.00 H new ATOM 0 HA GLN A 79 3.260 22.152 -0.183 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.946 19.898 -1.343 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.218 19.791 -1.069 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.567 21.793 -2.911 1.00 0.00 H new ATOM 0 HG3 GLN A 79 3.811 20.299 -3.428 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.292 23.373 -3.715 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.553 23.502 -3.435 1.00 0.00 H new ATOM 1272 N ARG A 80 4.042 21.557 2.243 1.00 0.00 N ATOM 1273 CA ARG A 80 4.152 21.010 3.591 1.00 0.00 C ATOM 1274 C ARG A 80 2.935 20.164 3.942 1.00 0.00 C ATOM 1275 O ARG A 80 3.018 19.252 4.765 1.00 0.00 O ATOM 1276 CB ARG A 80 4.397 22.093 4.631 1.00 0.00 C ATOM 1277 CG ARG A 80 5.769 22.745 4.565 1.00 0.00 C ATOM 1278 CD ARG A 80 5.974 23.839 5.548 1.00 0.00 C ATOM 1279 NE ARG A 80 7.278 24.479 5.474 1.00 0.00 N ATOM 1280 CZ ARG A 80 7.621 25.597 6.142 1.00 0.00 C ATOM 1281 NH1 ARG A 80 6.752 26.224 6.904 1.00 0.00 N ATOM 1282 NH2 ARG A 80 8.849 26.063 5.992 1.00 0.00 N ATOM 0 H ARG A 80 3.828 22.554 2.209 1.00 0.00 H new ATOM 0 HA ARG A 80 5.026 20.359 3.603 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.637 22.866 4.515 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.263 21.661 5.623 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.530 21.981 4.726 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.922 23.141 3.561 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.203 24.595 5.398 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.836 23.439 6.552 1.00 0.00 H new ATOM 0 HE ARG A 80 7.983 24.051 4.874 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.802 25.865 6.996 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.028 27.070 7.403 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.508 25.578 5.383 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.138 26.908 6.485 1.00 0.00 H new ATOM 1296 N LEU A 81 1.805 20.471 3.314 1.00 0.00 N ATOM 1297 CA LEU A 81 0.586 19.694 3.505 1.00 0.00 C ATOM 1298 C LEU A 81 0.773 18.255 3.042 1.00 0.00 C ATOM 1299 O LEU A 81 0.519 17.314 3.794 1.00 0.00 O ATOM 1300 CB LEU A 81 -0.582 20.349 2.757 1.00 0.00 C ATOM 1301 CG LEU A 81 -1.903 19.571 2.803 1.00 0.00 C ATOM 1302 CD1 LEU A 81 -2.382 19.438 4.242 1.00 0.00 C ATOM 1303 CD2 LEU A 81 -2.944 20.285 1.953 1.00 0.00 C ATOM 0 H LEU A 81 1.708 21.254 2.667 1.00 0.00 H new ATOM 0 HA LEU A 81 0.358 19.676 4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.749 21.342 3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.295 20.485 1.714 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.748 18.570 2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.321 18.884 4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.633 18.905 4.827 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.536 20.430 4.667 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.882 19.732 1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.102 21.291 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.594 20.344 0.922 1.00 0.00 H new ATOM 1315 N LEU A 82 1.217 18.091 1.801 1.00 0.00 N ATOM 1316 CA LEU A 82 1.434 16.765 1.234 1.00 0.00 C ATOM 1317 C LEU A 82 2.563 16.038 1.952 1.00 0.00 C ATOM 1318 O LEU A 82 2.520 14.819 2.122 1.00 0.00 O ATOM 1319 CB LEU A 82 1.738 16.874 -0.266 1.00 0.00 C ATOM 1320 CG LEU A 82 0.558 17.319 -1.140 1.00 0.00 C ATOM 1321 CD1 LEU A 82 1.025 17.540 -2.573 1.00 0.00 C ATOM 1322 CD2 LEU A 82 -0.540 16.268 -1.087 1.00 0.00 C ATOM 0 H LEU A 82 1.434 18.861 1.168 1.00 0.00 H new ATOM 0 HA LEU A 82 0.521 16.185 1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.558 17.579 -0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.087 15.905 -0.621 1.00 0.00 H new ATOM 0 HG LEU A 82 0.160 18.260 -0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.181 17.856 -3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.795 18.312 -2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.434 16.611 -2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.378 16.585 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.153 15.319 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.877 16.146 -0.058 1.00 0.00 H new ATOM 1334 N ALA A 83 3.574 16.792 2.372 1.00 0.00 N ATOM 1335 CA ALA A 83 4.690 16.228 3.122 1.00 0.00 C ATOM 1336 C ALA A 83 4.230 15.686 4.469 1.00 0.00 C ATOM 1337 O ALA A 83 4.650 14.608 4.891 1.00 0.00 O ATOM 1338 CB ALA A 83 5.781 17.272 3.312 1.00 0.00 C ATOM 0 H ALA A 83 3.643 17.796 2.205 1.00 0.00 H new ATOM 0 HA ALA A 83 5.097 15.396 2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.608 16.837 3.874 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.140 17.605 2.338 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.378 18.123 3.861 1.00 0.00 H new ATOM 1344 N GLU A 84 3.366 16.439 5.141 1.00 0.00 N ATOM 1345 CA GLU A 84 2.795 16.004 6.410 1.00 0.00 C ATOM 1346 C GLU A 84 1.894 14.790 6.222 1.00 0.00 C ATOM 1347 O GLU A 84 1.959 13.831 6.992 1.00 0.00 O ATOM 1348 CB GLU A 84 2.012 17.144 7.065 1.00 0.00 C ATOM 1349 CG GLU A 84 1.342 16.773 8.380 1.00 0.00 C ATOM 1350 CD GLU A 84 0.549 17.924 8.933 1.00 0.00 C ATOM 1351 OE1 GLU A 84 0.641 18.999 8.390 1.00 0.00 O ATOM 1352 OE2 GLU A 84 -0.234 17.704 9.827 1.00 0.00 O ATOM 0 H GLU A 84 3.045 17.355 4.827 1.00 0.00 H new ATOM 0 HA GLU A 84 3.618 15.719 7.065 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.689 17.980 7.240 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.249 17.492 6.368 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.685 15.916 8.227 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.099 16.469 9.103 1.00 0.00 H new ATOM 1359 N GLU A 85 1.054 14.837 5.194 1.00 0.00 N ATOM 1360 CA GLU A 85 0.118 13.753 4.919 1.00 0.00 C ATOM 1361 C GLU A 85 0.854 12.473 4.543 1.00 0.00 C ATOM 1362 O GLU A 85 0.409 11.372 4.868 1.00 0.00 O ATOM 1363 CB GLU A 85 -0.849 14.151 3.801 1.00 0.00 C ATOM 1364 CG GLU A 85 -1.888 15.186 4.208 1.00 0.00 C ATOM 1365 CD GLU A 85 -2.735 14.691 5.347 1.00 0.00 C ATOM 1366 OE1 GLU A 85 -3.271 13.614 5.240 1.00 0.00 O ATOM 1367 OE2 GLU A 85 -2.758 15.336 6.369 1.00 0.00 O ATOM 0 H GLU A 85 1.002 15.615 4.537 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.451 13.565 5.829 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.274 14.542 2.962 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.363 13.258 3.447 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.389 16.111 4.498 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.524 15.421 3.355 1.00 0.00 H new ATOM 1374 N LEU A 86 1.981 12.624 3.857 1.00 0.00 N ATOM 1375 CA LEU A 86 2.839 11.491 3.534 1.00 0.00 C ATOM 1376 C LEU A 86 3.465 10.898 4.790 1.00 0.00 C ATOM 1377 O LEU A 86 3.517 9.679 4.954 1.00 0.00 O ATOM 1378 CB LEU A 86 3.931 11.917 2.544 1.00 0.00 C ATOM 1379 CG LEU A 86 4.912 10.810 2.138 1.00 0.00 C ATOM 1380 CD1 LEU A 86 4.158 9.648 1.507 1.00 0.00 C ATOM 1381 CD2 LEU A 86 5.942 11.374 1.170 1.00 0.00 C ATOM 0 H LEU A 86 2.322 13.522 3.513 1.00 0.00 H new ATOM 0 HA LEU A 86 2.222 10.721 3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.453 12.304 1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.497 12.739 2.983 1.00 0.00 H new ATOM 0 HG LEU A 86 5.428 10.439 3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.864 8.868 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.443 9.246 2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.627 9.997 0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.639 10.587 0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.437 11.755 0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.489 12.184 1.652 1.00 0.00 H new ATOM 1393 N HIS A 87 3.940 11.768 5.675 1.00 0.00 N ATOM 1394 CA HIS A 87 4.440 11.342 6.976 1.00 0.00 C ATOM 1395 C HIS A 87 3.360 10.620 7.772 1.00 0.00 C ATOM 1396 O HIS A 87 3.614 9.583 8.384 1.00 0.00 O ATOM 1397 CB HIS A 87 4.965 12.540 7.774 1.00 0.00 C ATOM 1398 CG HIS A 87 5.465 12.181 9.139 1.00 0.00 C ATOM 1399 ND1 HIS A 87 6.642 11.492 9.343 1.00 0.00 N ATOM 1400 CD2 HIS A 87 4.948 12.415 10.368 1.00 0.00 C ATOM 1401 CE1 HIS A 87 6.828 11.319 10.640 1.00 0.00 C ATOM 1402 NE2 HIS A 87 5.814 11.868 11.283 1.00 0.00 N ATOM 0 H HIS A 87 3.989 12.774 5.514 1.00 0.00 H new ATOM 0 HA HIS A 87 5.261 10.647 6.802 1.00 0.00 H new ATOM 0 HB2 HIS A 87 5.772 13.013 7.214 1.00 0.00 H new ATOM 0 HB3 HIS A 87 4.169 13.278 7.871 1.00 0.00 H new ATOM 0 HD2 HIS A 87 4.027 12.935 10.588 1.00 0.00 H new ATOM 0 HE1 HIS A 87 7.667 10.814 11.096 1.00 0.00 H new ATOM 0 HE2 HIS A 87 5.693 11.883 12.296 1.00 0.00 H new ATOM 1410 N ARG A 88 2.153 11.175 7.759 1.00 0.00 N ATOM 1411 CA ARG A 88 1.024 10.570 8.456 1.00 0.00 C ATOM 1412 C ARG A 88 0.655 9.225 7.843 1.00 0.00 C ATOM 1413 O ARG A 88 0.242 8.304 8.548 1.00 0.00 O ATOM 1414 CB ARG A 88 -0.178 11.501 8.519 1.00 0.00 C ATOM 1415 CG ARG A 88 0.000 12.714 9.419 1.00 0.00 C ATOM 1416 CD ARG A 88 -1.170 13.629 9.450 1.00 0.00 C ATOM 1417 NE ARG A 88 -0.959 14.850 10.212 1.00 0.00 N ATOM 1418 CZ ARG A 88 -1.065 14.944 11.551 1.00 0.00 C ATOM 1419 NH1 ARG A 88 -1.414 13.906 12.278 1.00 0.00 N ATOM 1420 NH2 ARG A 88 -0.831 16.117 12.115 1.00 0.00 N ATOM 0 H ARG A 88 1.931 12.044 7.273 1.00 0.00 H new ATOM 0 HA ARG A 88 1.340 10.394 9.484 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.406 11.845 7.510 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.042 10.933 8.865 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.206 12.372 10.433 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.875 13.273 9.087 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.435 13.895 8.427 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.022 13.095 9.871 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.713 15.695 9.696 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.609 13.011 11.829 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.489 13.995 13.291 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.578 16.919 11.538 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.903 16.220 13.127 1.00 0.00 H new ATOM 1434 N ALA A 89 0.808 9.118 6.528 1.00 0.00 N ATOM 1435 CA ALA A 89 0.603 7.853 5.833 1.00 0.00 C ATOM 1436 C ALA A 89 1.635 6.817 6.258 1.00 0.00 C ATOM 1437 O ALA A 89 1.316 5.640 6.425 1.00 0.00 O ATOM 1438 CB ALA A 89 0.647 8.062 4.327 1.00 0.00 C ATOM 0 H ALA A 89 1.074 9.894 5.921 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.382 7.475 6.105 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.492 7.108 3.823 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.138 8.759 4.033 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.618 8.469 4.044 1.00 0.00 H new ATOM 1444 N ALA A 90 2.875 7.262 6.433 1.00 0.00 N ATOM 1445 CA ALA A 90 3.944 6.389 6.904 1.00 0.00 C ATOM 1446 C ALA A 90 3.677 5.909 8.325 1.00 0.00 C ATOM 1447 O ALA A 90 4.023 4.784 8.685 1.00 0.00 O ATOM 1448 CB ALA A 90 5.285 7.103 6.824 1.00 0.00 C ATOM 0 H ALA A 90 3.165 8.224 6.255 1.00 0.00 H new ATOM 0 HA ALA A 90 3.975 5.513 6.256 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.073 6.439 7.179 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.486 7.385 5.790 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.258 7.998 7.445 1.00 0.00 H new ATOM 1454 N ILE A 91 3.061 6.769 9.128 1.00 0.00 N ATOM 1455 CA ILE A 91 2.648 6.397 10.476 1.00 0.00 C ATOM 1456 C ILE A 91 1.578 5.314 10.446 1.00 0.00 C ATOM 1457 O ILE A 91 1.625 4.360 11.223 1.00 0.00 O ATOM 1458 CB ILE A 91 2.115 7.611 11.259 1.00 0.00 C ATOM 1459 CG1 ILE A 91 3.249 8.597 11.553 1.00 0.00 C ATOM 1460 CG2 ILE A 91 1.449 7.161 12.550 1.00 0.00 C ATOM 1461 CD1 ILE A 91 2.776 9.932 12.082 1.00 0.00 C ATOM 0 H ILE A 91 2.836 7.730 8.869 1.00 0.00 H new ATOM 0 HA ILE A 91 3.534 6.012 10.980 1.00 0.00 H new ATOM 0 HB ILE A 91 1.369 8.117 10.647 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.928 8.149 12.279 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.821 8.761 10.640 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.078 8.032 13.091 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.617 6.497 12.318 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.174 6.632 13.168 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.636 10.576 12.266 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.121 10.403 11.349 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.229 9.782 13.013 1.00 0.00 H new ATOM 1473 N GLN A 92 0.614 5.467 9.545 1.00 0.00 N ATOM 1474 CA GLN A 92 -0.448 4.481 9.385 1.00 0.00 C ATOM 1475 C GLN A 92 0.106 3.149 8.894 1.00 0.00 C ATOM 1476 O GLN A 92 -0.379 2.085 9.279 1.00 0.00 O ATOM 1477 CB GLN A 92 -1.510 4.991 8.406 1.00 0.00 C ATOM 1478 CG GLN A 92 -2.363 6.125 8.948 1.00 0.00 C ATOM 1479 CD GLN A 92 -3.309 6.687 7.904 1.00 0.00 C ATOM 1480 OE1 GLN A 92 -3.296 6.268 6.744 1.00 0.00 O ATOM 1481 NE2 GLN A 92 -4.134 7.645 8.310 1.00 0.00 N ATOM 0 H GLN A 92 0.546 6.265 8.914 1.00 0.00 H new ATOM 0 HA GLN A 92 -0.905 4.326 10.362 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -1.016 5.327 7.494 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.161 4.162 8.129 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.939 5.767 9.801 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -1.714 6.921 9.313 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -4.111 7.961 9.279 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -4.791 8.065 7.652 1.00 0.00 H new ATOM 1490 N LEU A 93 1.124 3.215 8.043 1.00 0.00 N ATOM 1491 CA LEU A 93 1.804 2.017 7.568 1.00 0.00 C ATOM 1492 C LEU A 93 2.511 1.296 8.709 1.00 0.00 C ATOM 1493 O LEU A 93 1.886 0.589 9.451 1.00 0.00 O ATOM 1494 CB LEU A 93 2.806 2.378 6.464 1.00 0.00 C ATOM 1495 CG LEU A 93 2.181 2.770 5.119 1.00 0.00 C ATOM 1496 CD1 LEU A 93 3.250 3.328 4.189 1.00 0.00 C ATOM 1497 CD2 LEU A 93 1.507 1.555 4.498 1.00 0.00 C ATOM 0 H LEU A 93 1.496 4.087 7.668 1.00 0.00 H new ATOM 0 HA LEU A 93 1.053 1.342 7.158 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.425 3.204 6.813 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.469 1.528 6.305 1.00 0.00 H new ATOM 0 HG LEU A 93 1.430 3.544 5.279 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.796 3.603 3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.703 4.209 4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.016 2.572 4.020 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.063 1.834 3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.247 0.770 4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.728 1.189 5.167 1.00 0.00 H new