USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 882 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 Single : A 1 GLY N :NH3+ -130:sc= 0.0869 (180deg=0) USER MOD Single : A 2 SER OG : rot 36:sc= 0.018 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -90:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.28 K(o=-2.3,f=-4.6!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 139:sc= 1.27 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 0.677 (180deg=0.675) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.368 K(o=-0.37,f=-1.1) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0654 K(o=-0.065,f=-1.6) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 1.12 (180deg=1.12) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0821 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 152:sc= -3.8 (180deg=-8.05!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.272 K(o=-0.27,f=-7.4!) USER MOD Single : A 76 CYS SG : rot 32:sc= 0.12 USER MOD Single : A 80 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.04) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 82 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.12) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 63:sc= 0.338 USER MOD Single : A 96 GLN : amide:sc= -1.91 X(o=-1.9,f=-1.5) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc=-0.000971 K(o=-0.00097,f=-3.7!) USER MOD Single : A 103 CYS SG : rot 109:sc= 1.04 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN :FLIP amide:sc= -0.231 F(o=-0.87!,f=-0.23) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot -85:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.620 -26.135 13.618 1.00 0.00 N ATOM 2 CA GLY A 1 10.411 -25.314 13.471 1.00 0.00 C ATOM 3 C GLY A 1 10.056 -25.104 12.008 1.00 0.00 C ATOM 4 O GLY A 1 10.603 -25.772 11.128 1.00 0.00 O ATOM 0 H1 GLY A 1 11.437 -26.905 14.293 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.880 -26.538 12.695 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.400 -25.544 13.970 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.578 -25.796 13.983 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.565 -24.348 13.952 1.00 0.00 H new ATOM 8 N SER A 2 9.136 -24.178 11.732 1.00 0.00 N ATOM 9 CA SER A 2 8.658 -23.843 10.392 1.00 0.00 C ATOM 10 C SER A 2 9.273 -22.520 9.924 1.00 0.00 C ATOM 11 O SER A 2 9.357 -21.582 10.724 1.00 0.00 O ATOM 12 CB SER A 2 7.128 -23.757 10.440 1.00 0.00 C ATOM 13 OG SER A 2 6.683 -23.012 11.567 1.00 0.00 O ATOM 0 H SER A 2 8.689 -23.622 12.461 1.00 0.00 H new ATOM 0 HA SER A 2 8.957 -24.610 9.678 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.760 -23.291 9.526 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.707 -24.762 10.477 1.00 0.00 H new ATOM 0 HG SER A 2 7.310 -22.280 11.744 1.00 0.00 H new ATOM 19 N SER A 3 9.647 -22.416 8.646 1.00 0.00 N ATOM 20 CA SER A 3 10.339 -21.250 8.107 1.00 0.00 C ATOM 21 C SER A 3 9.560 -19.943 8.272 1.00 0.00 C ATOM 22 O SER A 3 10.131 -18.954 8.739 1.00 0.00 O ATOM 23 CB SER A 3 10.710 -21.470 6.638 1.00 0.00 C ATOM 24 OG SER A 3 11.775 -22.399 6.561 1.00 0.00 O ATOM 0 H SER A 3 9.475 -23.146 7.954 1.00 0.00 H new ATOM 0 HA SER A 3 11.248 -21.141 8.699 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.847 -21.841 6.084 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.002 -20.525 6.179 1.00 0.00 H new ATOM 0 HG SER A 3 12.015 -22.544 5.622 1.00 0.00 H new ATOM 30 N GLY A 4 8.285 -19.907 7.879 1.00 0.00 N ATOM 31 CA GLY A 4 7.570 -18.657 7.675 1.00 0.00 C ATOM 32 C GLY A 4 7.688 -18.299 6.203 1.00 0.00 C ATOM 33 O GLY A 4 6.793 -18.633 5.426 1.00 0.00 O ATOM 0 H GLY A 4 7.727 -20.741 7.696 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.524 -18.763 7.961 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.992 -17.868 8.297 1.00 0.00 H new ATOM 37 N SER A 5 8.812 -17.691 5.812 1.00 0.00 N ATOM 38 CA SER A 5 9.071 -17.344 4.420 1.00 0.00 C ATOM 39 C SER A 5 9.069 -18.593 3.524 1.00 0.00 C ATOM 40 O SER A 5 9.301 -19.714 3.988 1.00 0.00 O ATOM 41 CB SER A 5 10.402 -16.587 4.315 1.00 0.00 C ATOM 42 OG SER A 5 10.454 -15.839 3.112 1.00 0.00 O ATOM 0 H SER A 5 9.562 -17.428 6.452 1.00 0.00 H new ATOM 0 HA SER A 5 8.270 -16.695 4.067 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.516 -15.920 5.170 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.232 -17.293 4.348 1.00 0.00 H new ATOM 0 HG SER A 5 11.308 -15.361 3.061 1.00 0.00 H new ATOM 48 N SER A 6 8.841 -18.381 2.226 1.00 0.00 N ATOM 49 CA SER A 6 8.999 -19.379 1.171 1.00 0.00 C ATOM 50 C SER A 6 10.346 -19.181 0.472 1.00 0.00 C ATOM 51 O SER A 6 11.005 -20.155 0.109 1.00 0.00 O ATOM 52 CB SER A 6 7.829 -19.240 0.184 1.00 0.00 C ATOM 53 OG SER A 6 7.614 -20.393 -0.602 1.00 0.00 O ATOM 0 H SER A 6 8.530 -17.477 1.870 1.00 0.00 H new ATOM 0 HA SER A 6 8.987 -20.385 1.591 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.919 -19.015 0.741 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.018 -18.392 -0.474 1.00 0.00 H new ATOM 0 HG SER A 6 6.857 -20.241 -1.206 1.00 0.00 H new ATOM 59 N GLY A 7 10.760 -17.921 0.300 1.00 0.00 N ATOM 60 CA GLY A 7 11.729 -17.538 -0.711 1.00 0.00 C ATOM 61 C GLY A 7 11.045 -17.481 -2.074 1.00 0.00 C ATOM 62 O GLY A 7 9.975 -18.062 -2.262 1.00 0.00 O ATOM 0 H GLY A 7 10.426 -17.141 0.865 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.160 -16.567 -0.468 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.550 -18.255 -0.734 1.00 0.00 H new ATOM 66 N LEU A 8 11.687 -16.798 -3.026 1.00 0.00 N ATOM 67 CA LEU A 8 11.114 -16.310 -4.274 1.00 0.00 C ATOM 68 C LEU A 8 9.697 -15.773 -4.062 1.00 0.00 C ATOM 69 O LEU A 8 8.715 -16.487 -4.270 1.00 0.00 O ATOM 70 CB LEU A 8 11.186 -17.368 -5.383 1.00 0.00 C ATOM 71 CG LEU A 8 12.571 -17.481 -6.045 1.00 0.00 C ATOM 72 CD1 LEU A 8 13.439 -18.544 -5.361 1.00 0.00 C ATOM 73 CD2 LEU A 8 12.426 -17.805 -7.535 1.00 0.00 C ATOM 0 H LEU A 8 12.675 -16.560 -2.937 1.00 0.00 H new ATOM 0 HA LEU A 8 11.720 -15.470 -4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.913 -18.337 -4.966 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.446 -17.130 -6.148 1.00 0.00 H new ATOM 0 HG LEU A 8 13.068 -16.517 -5.933 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.409 -18.595 -5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.580 -18.280 -4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 8 12.946 -19.514 -5.427 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.414 -17.882 -7.989 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.899 -18.752 -7.652 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.862 -17.012 -8.026 1.00 0.00 H new ATOM 85 N PHE A 9 9.602 -14.488 -3.715 1.00 0.00 N ATOM 86 CA PHE A 9 8.355 -13.773 -3.513 1.00 0.00 C ATOM 87 C PHE A 9 7.538 -14.491 -2.419 1.00 0.00 C ATOM 88 O PHE A 9 8.090 -14.954 -1.417 1.00 0.00 O ATOM 89 CB PHE A 9 7.752 -13.528 -4.917 1.00 0.00 C ATOM 90 CG PHE A 9 6.315 -13.061 -5.040 1.00 0.00 C ATOM 91 CD1 PHE A 9 5.276 -14.012 -5.097 1.00 0.00 C ATOM 92 CD2 PHE A 9 6.010 -11.687 -5.105 1.00 0.00 C ATOM 93 CE1 PHE A 9 3.952 -13.581 -5.224 1.00 0.00 C ATOM 94 CE2 PHE A 9 4.671 -11.264 -5.170 1.00 0.00 C ATOM 95 CZ PHE A 9 3.650 -12.226 -5.231 1.00 0.00 C ATOM 0 H PHE A 9 10.423 -13.903 -3.563 1.00 0.00 H new ATOM 0 HA PHE A 9 8.430 -12.771 -3.090 1.00 0.00 H new ATOM 0 HB2 PHE A 9 8.379 -12.791 -5.418 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.843 -14.458 -5.478 1.00 0.00 H new ATOM 0 HD1 PHE A 9 5.501 -15.067 -5.043 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.806 -10.957 -5.105 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.158 -14.308 -5.317 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.430 -10.211 -5.173 1.00 0.00 H new ATOM 0 HZ PHE A 9 2.619 -11.909 -5.284 1.00 0.00 H new ATOM 105 N THR A 10 6.213 -14.457 -2.490 1.00 0.00 N ATOM 106 CA THR A 10 5.288 -14.951 -1.504 1.00 0.00 C ATOM 107 C THR A 10 4.281 -15.898 -2.161 1.00 0.00 C ATOM 108 O THR A 10 4.614 -17.064 -2.359 1.00 0.00 O ATOM 109 CB THR A 10 4.742 -13.713 -0.771 1.00 0.00 C ATOM 110 OG1 THR A 10 5.804 -12.892 -0.326 1.00 0.00 O ATOM 111 CG2 THR A 10 3.880 -14.026 0.442 1.00 0.00 C ATOM 0 H THR A 10 5.735 -14.055 -3.296 1.00 0.00 H new ATOM 0 HA THR A 10 5.733 -15.586 -0.738 1.00 0.00 H new ATOM 0 HB THR A 10 4.116 -13.214 -1.510 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.072 -13.164 0.577 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.539 -13.096 0.896 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.017 -14.616 0.133 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.465 -14.591 1.168 1.00 0.00 H new ATOM 119 N ARG A 11 3.088 -15.387 -2.481 1.00 0.00 N ATOM 120 CA ARG A 11 1.920 -15.863 -3.234 1.00 0.00 C ATOM 121 C ARG A 11 0.692 -15.853 -2.339 1.00 0.00 C ATOM 122 O ARG A 11 -0.352 -15.369 -2.761 1.00 0.00 O ATOM 123 CB ARG A 11 2.100 -17.241 -3.879 1.00 0.00 C ATOM 124 CG ARG A 11 3.016 -17.159 -5.116 1.00 0.00 C ATOM 125 CD ARG A 11 4.067 -18.278 -5.182 1.00 0.00 C ATOM 126 NE ARG A 11 3.637 -19.427 -5.986 1.00 0.00 N ATOM 127 CZ ARG A 11 4.387 -20.501 -6.257 1.00 0.00 C ATOM 128 NH1 ARG A 11 5.596 -20.650 -5.728 1.00 0.00 N ATOM 129 NH2 ARG A 11 3.926 -21.430 -7.085 1.00 0.00 N ATOM 0 H ARG A 11 2.885 -14.444 -2.150 1.00 0.00 H new ATOM 0 HA ARG A 11 1.792 -15.169 -4.065 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.526 -17.933 -3.153 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.128 -17.640 -4.168 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.401 -17.197 -6.015 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.524 -16.195 -5.117 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.991 -17.876 -5.599 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.294 -18.615 -4.170 1.00 0.00 H new ATOM 0 HE ARG A 11 2.692 -19.405 -6.369 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.970 -19.937 -5.101 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.151 -21.477 -5.948 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.005 -21.323 -7.510 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.493 -22.251 -7.296 1.00 0.00 H new ATOM 143 N ASP A 12 0.823 -16.315 -1.096 1.00 0.00 N ATOM 144 CA ASP A 12 -0.339 -16.576 -0.241 1.00 0.00 C ATOM 145 C ASP A 12 -0.519 -15.539 0.866 1.00 0.00 C ATOM 146 O ASP A 12 -1.386 -15.676 1.722 1.00 0.00 O ATOM 147 CB ASP A 12 -0.203 -17.966 0.379 1.00 0.00 C ATOM 148 CG ASP A 12 -1.554 -18.674 0.355 1.00 0.00 C ATOM 149 OD1 ASP A 12 -1.959 -19.070 -0.758 1.00 0.00 O ATOM 150 OD2 ASP A 12 -2.155 -18.835 1.444 1.00 0.00 O ATOM 0 H ASP A 12 1.721 -16.517 -0.657 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.224 -16.515 -0.875 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.534 -18.550 -0.172 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.157 -17.884 1.404 1.00 0.00 H new ATOM 155 N ALA A 13 0.373 -14.545 0.913 1.00 0.00 N ATOM 156 CA ALA A 13 0.575 -13.542 1.959 1.00 0.00 C ATOM 157 C ALA A 13 0.994 -14.124 3.315 1.00 0.00 C ATOM 158 O ALA A 13 1.676 -13.441 4.074 1.00 0.00 O ATOM 159 CB ALA A 13 -0.646 -12.630 2.091 1.00 0.00 C ATOM 0 H ALA A 13 1.033 -14.411 0.147 1.00 0.00 H new ATOM 0 HA ALA A 13 1.424 -12.942 1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.468 -11.895 2.876 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.821 -12.117 1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.521 -13.228 2.346 1.00 0.00 H new ATOM 165 N SER A 14 0.676 -15.381 3.610 1.00 0.00 N ATOM 166 CA SER A 14 1.010 -16.043 4.858 1.00 0.00 C ATOM 167 C SER A 14 2.527 -16.027 5.093 1.00 0.00 C ATOM 168 O SER A 14 2.991 -15.866 6.222 1.00 0.00 O ATOM 169 CB SER A 14 0.410 -17.455 4.792 1.00 0.00 C ATOM 170 OG SER A 14 0.731 -18.213 5.931 1.00 0.00 O ATOM 0 H SER A 14 0.163 -15.982 2.965 1.00 0.00 H new ATOM 0 HA SER A 14 0.588 -15.523 5.718 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.673 -17.385 4.696 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.777 -17.965 3.901 1.00 0.00 H new ATOM 0 HG SER A 14 0.331 -19.104 5.854 1.00 0.00 H new ATOM 176 N GLN A 15 3.309 -16.121 4.014 1.00 0.00 N ATOM 177 CA GLN A 15 4.760 -16.229 4.092 1.00 0.00 C ATOM 178 C GLN A 15 5.441 -14.860 4.307 1.00 0.00 C ATOM 179 O GLN A 15 6.665 -14.757 4.206 1.00 0.00 O ATOM 180 CB GLN A 15 5.285 -16.976 2.849 1.00 0.00 C ATOM 181 CG GLN A 15 4.577 -18.324 2.598 1.00 0.00 C ATOM 182 CD GLN A 15 3.244 -18.227 1.845 1.00 0.00 C ATOM 183 OE1 GLN A 15 2.984 -17.295 1.084 1.00 0.00 O ATOM 184 NE2 GLN A 15 2.357 -19.184 2.046 1.00 0.00 N ATOM 0 H GLN A 15 2.948 -16.124 3.060 1.00 0.00 H new ATOM 0 HA GLN A 15 5.023 -16.813 4.974 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.160 -16.340 1.973 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.354 -17.152 2.965 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.249 -18.971 2.034 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.400 -18.808 3.558 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.574 -19.956 2.677 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.455 -19.152 1.570 1.00 0.00 H new ATOM 193 N LEU A 16 4.686 -13.781 4.548 1.00 0.00 N ATOM 194 CA LEU A 16 5.237 -12.479 4.933 1.00 0.00 C ATOM 195 C LEU A 16 5.644 -12.490 6.412 1.00 0.00 C ATOM 196 O LEU A 16 5.326 -13.419 7.161 1.00 0.00 O ATOM 197 CB LEU A 16 4.206 -11.365 4.673 1.00 0.00 C ATOM 198 CG LEU A 16 3.865 -11.092 3.197 1.00 0.00 C ATOM 199 CD1 LEU A 16 3.034 -9.808 3.107 1.00 0.00 C ATOM 200 CD2 LEU A 16 5.088 -10.926 2.286 1.00 0.00 C ATOM 0 H LEU A 16 3.668 -13.789 4.480 1.00 0.00 H new ATOM 0 HA LEU A 16 6.123 -12.283 4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.285 -11.620 5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.579 -10.442 5.116 1.00 0.00 H new ATOM 0 HG LEU A 16 3.321 -11.970 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.788 -9.606 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.115 -9.929 3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.608 -8.974 3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.758 -10.737 1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.690 -10.086 2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.687 -11.837 2.311 1.00 0.00 H new ATOM 212 N LYS A 17 6.339 -11.435 6.852 1.00 0.00 N ATOM 213 CA LYS A 17 6.895 -11.298 8.185 1.00 0.00 C ATOM 214 C LYS A 17 6.533 -9.927 8.742 1.00 0.00 C ATOM 215 O LYS A 17 7.122 -8.920 8.336 1.00 0.00 O ATOM 216 CB LYS A 17 8.411 -11.456 8.082 1.00 0.00 C ATOM 217 CG LYS A 17 8.902 -12.899 7.878 1.00 0.00 C ATOM 218 CD LYS A 17 8.758 -13.763 9.137 1.00 0.00 C ATOM 219 CE LYS A 17 9.777 -13.347 10.208 1.00 0.00 C ATOM 220 NZ LYS A 17 9.523 -14.049 11.478 1.00 0.00 N ATOM 0 H LYS A 17 6.532 -10.627 6.260 1.00 0.00 H new ATOM 0 HA LYS A 17 6.493 -12.057 8.856 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.769 -10.846 7.253 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.865 -11.059 8.990 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.340 -13.357 7.063 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.948 -12.882 7.573 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.748 -13.668 9.534 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.902 -14.813 8.881 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.786 -13.569 9.861 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.724 -12.270 10.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.224 -13.751 12.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.568 -13.817 11.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.597 -15.075 11.328 1.00 0.00 H new ATOM 234 N GLY A 18 5.582 -9.899 9.665 1.00 0.00 N ATOM 235 CA GLY A 18 5.056 -8.697 10.291 1.00 0.00 C ATOM 236 C GLY A 18 3.582 -8.856 10.662 1.00 0.00 C ATOM 237 O GLY A 18 3.009 -9.935 10.485 1.00 0.00 O ATOM 0 H GLY A 18 5.138 -10.749 10.012 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.635 -8.469 11.186 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.172 -7.852 9.612 1.00 0.00 H new ATOM 241 N THR A 19 2.975 -7.812 11.232 1.00 0.00 N ATOM 242 CA THR A 19 1.589 -7.837 11.688 1.00 0.00 C ATOM 243 C THR A 19 0.657 -7.687 10.483 1.00 0.00 C ATOM 244 O THR A 19 0.884 -6.804 9.662 1.00 0.00 O ATOM 245 CB THR A 19 1.366 -6.669 12.661 1.00 0.00 C ATOM 246 OG1 THR A 19 2.438 -6.528 13.579 1.00 0.00 O ATOM 247 CG2 THR A 19 0.091 -6.829 13.481 1.00 0.00 C ATOM 0 H THR A 19 3.440 -6.918 11.390 1.00 0.00 H new ATOM 0 HA THR A 19 1.378 -8.781 12.191 1.00 0.00 H new ATOM 0 HB THR A 19 1.292 -5.787 12.025 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.258 -5.774 14.178 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.019 -5.977 14.152 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.768 -6.877 12.812 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.147 -7.747 14.066 1.00 0.00 H new ATOM 255 N PHE A 20 -0.402 -8.491 10.385 1.00 0.00 N ATOM 256 CA PHE A 20 -1.480 -8.304 9.420 1.00 0.00 C ATOM 257 C PHE A 20 -2.606 -7.534 10.092 1.00 0.00 C ATOM 258 O PHE A 20 -2.938 -7.796 11.252 1.00 0.00 O ATOM 259 CB PHE A 20 -2.005 -9.654 8.922 1.00 0.00 C ATOM 260 CG PHE A 20 -1.262 -10.178 7.715 1.00 0.00 C ATOM 261 CD1 PHE A 20 0.121 -10.418 7.787 1.00 0.00 C ATOM 262 CD2 PHE A 20 -1.945 -10.370 6.500 1.00 0.00 C ATOM 263 CE1 PHE A 20 0.821 -10.824 6.645 1.00 0.00 C ATOM 264 CE2 PHE A 20 -1.243 -10.790 5.359 1.00 0.00 C ATOM 265 CZ PHE A 20 0.143 -11.000 5.429 1.00 0.00 C ATOM 0 H PHE A 20 -0.535 -9.304 10.986 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.100 -7.749 8.562 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.933 -10.383 9.729 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.062 -9.556 8.674 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.643 -10.289 8.723 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.009 -10.194 6.445 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.885 -11.002 6.700 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.768 -10.951 4.429 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.689 -11.297 4.546 1.00 0.00 H new ATOM 275 N LEU A 21 -3.193 -6.587 9.364 1.00 0.00 N ATOM 276 CA LEU A 21 -4.236 -5.702 9.844 1.00 0.00 C ATOM 277 C LEU A 21 -5.177 -5.350 8.700 1.00 0.00 C ATOM 278 O LEU A 21 -4.875 -5.639 7.543 1.00 0.00 O ATOM 279 CB LEU A 21 -3.659 -4.393 10.406 1.00 0.00 C ATOM 280 CG LEU A 21 -2.307 -4.447 11.132 1.00 0.00 C ATOM 281 CD1 LEU A 21 -1.108 -4.342 10.178 1.00 0.00 C ATOM 282 CD2 LEU A 21 -2.215 -3.265 12.081 1.00 0.00 C ATOM 0 H LEU A 21 -2.942 -6.414 8.391 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.765 -6.226 10.640 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.565 -3.689 9.579 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.391 -3.976 11.097 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.264 -5.409 11.643 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.182 -4.386 10.751 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.135 -5.168 9.468 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.155 -3.397 9.637 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.259 -3.291 12.603 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.294 -2.337 11.515 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.027 -3.317 12.807 1.00 0.00 H new ATOM 294 N SER A 22 -6.272 -4.651 8.988 1.00 0.00 N ATOM 295 CA SER A 22 -7.167 -4.137 7.962 1.00 0.00 C ATOM 296 C SER A 22 -7.783 -2.794 8.341 1.00 0.00 C ATOM 297 O SER A 22 -7.629 -2.335 9.479 1.00 0.00 O ATOM 298 CB SER A 22 -8.227 -5.202 7.658 1.00 0.00 C ATOM 299 OG SER A 22 -8.883 -5.665 8.829 1.00 0.00 O ATOM 0 H SER A 22 -6.561 -4.426 9.940 1.00 0.00 H new ATOM 0 HA SER A 22 -6.592 -3.937 7.058 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.965 -4.789 6.971 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.756 -6.045 7.152 1.00 0.00 H new ATOM 0 HG SER A 22 -9.550 -6.340 8.585 1.00 0.00 H new ATOM 305 N THR A 23 -8.458 -2.151 7.383 1.00 0.00 N ATOM 306 CA THR A 23 -9.454 -1.120 7.631 1.00 0.00 C ATOM 307 C THR A 23 -10.423 -1.030 6.443 1.00 0.00 C ATOM 308 O THR A 23 -10.036 -1.298 5.300 1.00 0.00 O ATOM 309 CB THR A 23 -8.759 0.219 7.937 1.00 0.00 C ATOM 310 OG1 THR A 23 -9.730 1.213 8.161 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.797 0.700 6.844 1.00 0.00 C ATOM 0 H THR A 23 -8.319 -2.343 6.391 1.00 0.00 H new ATOM 0 HA THR A 23 -10.048 -1.378 8.508 1.00 0.00 H new ATOM 0 HB THR A 23 -8.152 0.042 8.825 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.456 1.773 8.917 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.353 1.649 7.143 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.010 -0.040 6.701 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.344 0.833 5.911 1.00 0.00 H new ATOM 319 N THR A 24 -11.637 -0.534 6.693 1.00 0.00 N ATOM 320 CA THR A 24 -12.565 -0.061 5.678 1.00 0.00 C ATOM 321 C THR A 24 -12.535 1.471 5.667 1.00 0.00 C ATOM 322 O THR A 24 -12.953 2.093 6.647 1.00 0.00 O ATOM 323 CB THR A 24 -13.980 -0.574 5.982 1.00 0.00 C ATOM 324 OG1 THR A 24 -14.026 -1.990 5.986 1.00 0.00 O ATOM 325 CG2 THR A 24 -15.013 -0.022 4.992 1.00 0.00 C ATOM 0 H THR A 24 -12.008 -0.450 7.640 1.00 0.00 H new ATOM 0 HA THR A 24 -12.274 -0.437 4.697 1.00 0.00 H new ATOM 0 HB THR A 24 -14.235 -0.212 6.978 1.00 0.00 H new ATOM 0 HG1 THR A 24 -14.939 -2.287 6.184 1.00 0.00 H new ATOM 0 HG21 THR A 24 -16.000 -0.409 5.243 1.00 0.00 H new ATOM 0 HG22 THR A 24 -15.025 1.066 5.048 1.00 0.00 H new ATOM 0 HG23 THR A 24 -14.748 -0.330 3.980 1.00 0.00 H new ATOM 333 N LEU A 25 -12.084 2.095 4.577 1.00 0.00 N ATOM 334 CA LEU A 25 -12.179 3.540 4.394 1.00 0.00 C ATOM 335 C LEU A 25 -13.344 3.842 3.467 1.00 0.00 C ATOM 336 O LEU A 25 -13.466 3.230 2.401 1.00 0.00 O ATOM 337 CB LEU A 25 -10.915 4.140 3.756 1.00 0.00 C ATOM 338 CG LEU A 25 -9.590 4.061 4.539 1.00 0.00 C ATOM 339 CD1 LEU A 25 -8.785 5.323 4.247 1.00 0.00 C ATOM 340 CD2 LEU A 25 -9.724 3.963 6.063 1.00 0.00 C ATOM 0 H LEU A 25 -11.642 1.609 3.796 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.311 3.980 5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.763 3.648 2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.115 5.191 3.548 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.115 3.138 4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.842 5.287 4.792 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.584 5.387 3.178 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.353 6.198 4.562 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.732 3.913 6.513 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.249 4.841 6.439 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.286 3.065 6.322 1.00 0.00 H new ATOM 352 N LYS A 26 -14.134 4.864 3.796 1.00 0.00 N ATOM 353 CA LYS A 26 -15.095 5.448 2.869 1.00 0.00 C ATOM 354 C LYS A 26 -14.323 6.414 1.978 1.00 0.00 C ATOM 355 O LYS A 26 -13.486 7.186 2.458 1.00 0.00 O ATOM 356 CB LYS A 26 -16.194 6.189 3.652 1.00 0.00 C ATOM 357 CG LYS A 26 -17.522 6.216 2.876 1.00 0.00 C ATOM 358 CD LYS A 26 -18.400 7.412 3.266 1.00 0.00 C ATOM 359 CE LYS A 26 -17.992 8.635 2.438 1.00 0.00 C ATOM 360 NZ LYS A 26 -18.847 9.805 2.698 1.00 0.00 N ATOM 0 H LYS A 26 -14.123 5.308 4.714 1.00 0.00 H new ATOM 0 HA LYS A 26 -15.581 4.680 2.267 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -16.345 5.703 4.616 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.871 7.210 3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -17.315 6.254 1.807 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -18.068 5.291 3.062 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -19.450 7.177 3.095 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -18.291 7.626 4.329 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -16.956 8.890 2.660 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -18.038 8.384 1.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -18.529 10.604 2.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -19.833 9.574 2.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -18.784 10.065 3.703 1.00 0.00 H new ATOM 374 N LYS A 27 -14.599 6.409 0.674 1.00 0.00 N ATOM 375 CA LYS A 27 -14.160 7.479 -0.208 1.00 0.00 C ATOM 376 C LYS A 27 -14.892 8.728 0.263 1.00 0.00 C ATOM 377 O LYS A 27 -16.113 8.822 0.119 1.00 0.00 O ATOM 378 CB LYS A 27 -14.488 7.159 -1.670 1.00 0.00 C ATOM 379 CG LYS A 27 -13.910 8.223 -2.622 1.00 0.00 C ATOM 380 CD LYS A 27 -12.776 7.704 -3.507 1.00 0.00 C ATOM 381 CE LYS A 27 -12.582 8.695 -4.662 1.00 0.00 C ATOM 382 NZ LYS A 27 -11.918 8.083 -5.828 1.00 0.00 N ATOM 0 H LYS A 27 -15.127 5.671 0.208 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.079 7.614 -0.166 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -14.085 6.180 -1.929 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -15.569 7.103 -1.798 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.710 8.603 -3.257 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.544 9.064 -2.033 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.856 7.607 -2.930 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.017 6.713 -3.892 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.552 9.088 -4.966 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.990 9.542 -4.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.780 8.802 -6.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.994 7.701 -5.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.510 7.314 -6.200 1.00 0.00 H new ATOM 396 N SER A 28 -14.154 9.643 0.871 1.00 0.00 N ATOM 397 CA SER A 28 -14.661 10.830 1.515 1.00 0.00 C ATOM 398 C SER A 28 -13.736 11.976 1.124 1.00 0.00 C ATOM 399 O SER A 28 -12.583 11.755 0.741 1.00 0.00 O ATOM 400 CB SER A 28 -14.667 10.567 3.029 1.00 0.00 C ATOM 401 OG SER A 28 -15.362 11.571 3.738 1.00 0.00 O ATOM 0 H SER A 28 -13.138 9.569 0.928 1.00 0.00 H new ATOM 0 HA SER A 28 -15.677 11.087 1.215 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.127 9.599 3.227 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.640 10.512 3.391 1.00 0.00 H new ATOM 0 HG SER A 28 -15.344 11.366 4.696 1.00 0.00 H new ATOM 407 N ASN A 29 -14.222 13.201 1.298 1.00 0.00 N ATOM 408 CA ASN A 29 -13.552 14.451 0.982 1.00 0.00 C ATOM 409 C ASN A 29 -13.113 14.531 -0.485 1.00 0.00 C ATOM 410 O ASN A 29 -13.908 14.966 -1.321 1.00 0.00 O ATOM 411 CB ASN A 29 -12.431 14.711 1.998 1.00 0.00 C ATOM 412 CG ASN A 29 -11.771 16.061 1.774 1.00 0.00 C ATOM 413 OD1 ASN A 29 -12.379 16.978 1.235 1.00 0.00 O ATOM 414 ND2 ASN A 29 -10.521 16.198 2.171 1.00 0.00 N ATOM 0 H ASN A 29 -15.152 13.353 1.688 1.00 0.00 H new ATOM 0 HA ASN A 29 -14.264 15.270 1.081 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.838 14.668 3.008 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -11.682 13.923 1.923 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -10.036 17.084 2.032 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -10.039 15.417 2.617 1.00 0.00 H new ATOM 421 N MET A 30 -11.893 14.102 -0.809 1.00 0.00 N ATOM 422 CA MET A 30 -11.285 14.184 -2.137 1.00 0.00 C ATOM 423 C MET A 30 -10.526 12.888 -2.469 1.00 0.00 C ATOM 424 O MET A 30 -9.511 12.911 -3.176 1.00 0.00 O ATOM 425 CB MET A 30 -10.419 15.456 -2.255 1.00 0.00 C ATOM 426 CG MET A 30 -9.367 15.602 -1.152 1.00 0.00 C ATOM 427 SD MET A 30 -7.945 16.643 -1.567 1.00 0.00 S ATOM 428 CE MET A 30 -6.858 15.392 -2.300 1.00 0.00 C ATOM 0 H MET A 30 -11.275 13.669 -0.123 1.00 0.00 H new ATOM 0 HA MET A 30 -12.067 14.275 -2.891 1.00 0.00 H new ATOM 0 HB2 MET A 30 -9.917 15.452 -3.223 1.00 0.00 H new ATOM 0 HB3 MET A 30 -11.071 16.329 -2.238 1.00 0.00 H new ATOM 0 HG2 MET A 30 -9.850 16.013 -0.265 1.00 0.00 H new ATOM 0 HG3 MET A 30 -9.004 14.609 -0.886 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.926 15.860 -2.616 1.00 0.00 H new ATOM 0 HE2 MET A 30 -6.644 14.619 -1.562 1.00 0.00 H new ATOM 0 HE3 MET A 30 -7.350 14.944 -3.164 1.00 0.00 H new ATOM 438 N GLY A 31 -10.984 11.754 -1.929 1.00 0.00 N ATOM 439 CA GLY A 31 -10.339 10.453 -2.037 1.00 0.00 C ATOM 440 C GLY A 31 -9.747 10.032 -0.696 1.00 0.00 C ATOM 441 O GLY A 31 -9.806 10.769 0.295 1.00 0.00 O ATOM 0 H GLY A 31 -11.847 11.722 -1.386 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.063 9.709 -2.370 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.553 10.493 -2.791 1.00 0.00 H new ATOM 445 N PHE A 32 -9.191 8.822 -0.648 1.00 0.00 N ATOM 446 CA PHE A 32 -8.674 8.269 0.594 1.00 0.00 C ATOM 447 C PHE A 32 -7.496 9.104 1.083 1.00 0.00 C ATOM 448 O PHE A 32 -6.717 9.614 0.285 1.00 0.00 O ATOM 449 CB PHE A 32 -8.253 6.810 0.400 1.00 0.00 C ATOM 450 CG PHE A 32 -9.274 5.968 -0.331 1.00 0.00 C ATOM 451 CD1 PHE A 32 -10.493 5.642 0.293 1.00 0.00 C ATOM 452 CD2 PHE A 32 -9.022 5.550 -1.652 1.00 0.00 C ATOM 453 CE1 PHE A 32 -11.452 4.886 -0.398 1.00 0.00 C ATOM 454 CE2 PHE A 32 -9.985 4.800 -2.344 1.00 0.00 C ATOM 455 CZ PHE A 32 -11.192 4.468 -1.713 1.00 0.00 C ATOM 0 H PHE A 32 -9.089 8.209 -1.457 1.00 0.00 H new ATOM 0 HA PHE A 32 -9.463 8.298 1.346 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.313 6.784 -0.152 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -8.062 6.365 1.376 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.690 5.973 1.302 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.089 5.806 -2.132 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -12.386 4.627 0.079 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.797 4.480 -3.358 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.930 3.885 -2.244 1.00 0.00 H new ATOM 465 N GLY A 33 -7.324 9.197 2.402 1.00 0.00 N ATOM 466 CA GLY A 33 -6.246 9.969 3.010 1.00 0.00 C ATOM 467 C GLY A 33 -4.911 9.237 2.969 1.00 0.00 C ATOM 468 O GLY A 33 -4.141 9.349 3.911 1.00 0.00 O ATOM 0 H GLY A 33 -7.932 8.736 3.079 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.150 10.923 2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.503 10.193 4.045 1.00 0.00 H new ATOM 472 N PHE A 34 -4.627 8.442 1.944 1.00 0.00 N ATOM 473 CA PHE A 34 -3.336 7.796 1.797 1.00 0.00 C ATOM 474 C PHE A 34 -3.052 7.621 0.317 1.00 0.00 C ATOM 475 O PHE A 34 -3.954 7.711 -0.523 1.00 0.00 O ATOM 476 CB PHE A 34 -3.291 6.465 2.561 1.00 0.00 C ATOM 477 CG PHE A 34 -4.094 5.348 1.925 1.00 0.00 C ATOM 478 CD1 PHE A 34 -5.482 5.286 2.126 1.00 0.00 C ATOM 479 CD2 PHE A 34 -3.460 4.361 1.148 1.00 0.00 C ATOM 480 CE1 PHE A 34 -6.245 4.255 1.555 1.00 0.00 C ATOM 481 CE2 PHE A 34 -4.218 3.320 0.584 1.00 0.00 C ATOM 482 CZ PHE A 34 -5.610 3.270 0.771 1.00 0.00 C ATOM 0 H PHE A 34 -5.286 8.230 1.195 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.555 8.419 2.234 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.253 6.145 2.647 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.659 6.629 3.574 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.969 6.040 2.727 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.393 4.403 0.985 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.312 4.217 1.715 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.727 2.553 0.003 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.191 2.481 0.316 1.00 0.00 H new ATOM 492 N THR A 35 -1.795 7.349 0.004 1.00 0.00 N ATOM 493 CA THR A 35 -1.311 7.150 -1.349 1.00 0.00 C ATOM 494 C THR A 35 -0.449 5.896 -1.361 1.00 0.00 C ATOM 495 O THR A 35 0.106 5.517 -0.329 1.00 0.00 O ATOM 496 CB THR A 35 -0.548 8.402 -1.810 1.00 0.00 C ATOM 497 OG1 THR A 35 0.304 8.878 -0.777 1.00 0.00 O ATOM 498 CG2 THR A 35 -1.522 9.515 -2.217 1.00 0.00 C ATOM 0 H THR A 35 -1.062 7.258 0.708 1.00 0.00 H new ATOM 0 HA THR A 35 -2.132 7.006 -2.052 1.00 0.00 H new ATOM 0 HB THR A 35 0.055 8.123 -2.674 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.783 9.674 -1.089 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.959 10.391 -2.540 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.151 9.166 -3.036 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.148 9.780 -1.365 1.00 0.00 H new ATOM 506 N ILE A 36 -0.330 5.248 -2.514 1.00 0.00 N ATOM 507 CA ILE A 36 0.350 3.977 -2.685 1.00 0.00 C ATOM 508 C ILE A 36 1.540 4.182 -3.639 1.00 0.00 C ATOM 509 O ILE A 36 1.602 5.178 -4.375 1.00 0.00 O ATOM 510 CB ILE A 36 -0.697 2.923 -3.135 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.968 2.912 -2.245 1.00 0.00 C ATOM 512 CG2 ILE A 36 -0.107 1.513 -3.043 1.00 0.00 C ATOM 513 CD1 ILE A 36 -3.117 3.824 -2.689 1.00 0.00 C ATOM 0 H ILE A 36 -0.720 5.609 -3.385 1.00 0.00 H new ATOM 0 HA ILE A 36 0.781 3.592 -1.761 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.963 3.198 -4.156 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.342 1.889 -2.196 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.679 3.194 -1.233 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.853 0.785 -3.362 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.768 1.442 -3.689 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.184 1.307 -2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.948 3.730 -1.989 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.774 4.858 -2.708 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.448 3.533 -3.686 1.00 0.00 H new ATOM 525 N ILE A 37 2.513 3.277 -3.590 1.00 0.00 N ATOM 526 CA ILE A 37 3.651 3.163 -4.497 1.00 0.00 C ATOM 527 C ILE A 37 3.603 1.763 -5.127 1.00 0.00 C ATOM 528 O ILE A 37 2.881 0.886 -4.647 1.00 0.00 O ATOM 529 CB ILE A 37 4.967 3.496 -3.741 1.00 0.00 C ATOM 530 CG1 ILE A 37 6.214 3.436 -4.650 1.00 0.00 C ATOM 531 CG2 ILE A 37 5.141 2.642 -2.475 1.00 0.00 C ATOM 532 CD1 ILE A 37 7.434 4.147 -4.054 1.00 0.00 C ATOM 0 H ILE A 37 2.529 2.556 -2.868 1.00 0.00 H new ATOM 0 HA ILE A 37 3.609 3.886 -5.312 1.00 0.00 H new ATOM 0 HB ILE A 37 4.872 4.533 -3.419 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.467 2.393 -4.840 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.975 3.886 -5.613 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.075 2.910 -1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.307 2.822 -1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.165 1.587 -2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 37 8.275 4.067 -4.743 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.198 5.198 -3.890 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.698 3.682 -3.104 1.00 0.00 H new ATOM 544 N GLY A 38 4.348 1.570 -6.212 1.00 0.00 N ATOM 545 CA GLY A 38 4.486 0.308 -6.904 1.00 0.00 C ATOM 546 C GLY A 38 5.950 -0.056 -7.015 1.00 0.00 C ATOM 547 O GLY A 38 6.806 0.830 -7.126 1.00 0.00 O ATOM 0 H GLY A 38 4.889 2.320 -6.643 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.947 -0.473 -6.367 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.042 0.377 -7.897 1.00 0.00 H new ATOM 551 N GLY A 39 6.230 -1.356 -7.074 1.00 0.00 N ATOM 552 CA GLY A 39 7.548 -1.863 -7.415 1.00 0.00 C ATOM 553 C GLY A 39 7.984 -1.520 -8.833 1.00 0.00 C ATOM 554 O GLY A 39 9.163 -1.667 -9.142 1.00 0.00 O ATOM 0 H GLY A 39 5.543 -2.086 -6.885 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.277 -1.459 -6.712 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.554 -2.946 -7.294 1.00 0.00 H new ATOM 558 N ASP A 40 7.049 -1.075 -9.680 1.00 0.00 N ATOM 559 CA ASP A 40 7.191 -0.719 -11.095 1.00 0.00 C ATOM 560 C ASP A 40 7.168 -1.981 -11.954 1.00 0.00 C ATOM 561 O ASP A 40 6.495 -2.011 -12.981 1.00 0.00 O ATOM 562 CB ASP A 40 8.424 0.160 -11.367 1.00 0.00 C ATOM 563 CG ASP A 40 8.380 0.833 -12.737 1.00 0.00 C ATOM 564 OD1 ASP A 40 7.317 1.368 -13.129 1.00 0.00 O ATOM 565 OD2 ASP A 40 9.443 0.907 -13.396 1.00 0.00 O ATOM 0 H ASP A 40 6.088 -0.943 -9.364 1.00 0.00 H new ATOM 0 HA ASP A 40 6.337 -0.102 -11.375 1.00 0.00 H new ATOM 0 HB2 ASP A 40 8.497 0.925 -10.594 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.323 -0.452 -11.296 1.00 0.00 H new ATOM 570 N GLU A 41 7.764 -3.067 -11.463 1.00 0.00 N ATOM 571 CA GLU A 41 7.626 -4.424 -11.984 1.00 0.00 C ATOM 572 C GLU A 41 6.227 -5.012 -11.657 1.00 0.00 C ATOM 573 O GLU A 41 5.468 -4.419 -10.876 1.00 0.00 O ATOM 574 CB GLU A 41 8.760 -5.277 -11.394 1.00 0.00 C ATOM 575 CG GLU A 41 10.140 -4.816 -11.893 1.00 0.00 C ATOM 576 CD GLU A 41 11.278 -5.734 -11.442 1.00 0.00 C ATOM 577 OE1 GLU A 41 11.081 -6.547 -10.508 1.00 0.00 O ATOM 578 OE2 GLU A 41 12.371 -5.622 -12.044 1.00 0.00 O ATOM 0 H GLU A 41 8.384 -3.021 -10.654 1.00 0.00 H new ATOM 0 HA GLU A 41 7.705 -4.419 -13.071 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.729 -5.220 -10.306 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.607 -6.322 -11.663 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.129 -4.769 -12.982 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.331 -3.805 -11.532 1.00 0.00 H new ATOM 585 N PRO A 42 5.821 -6.146 -12.265 1.00 0.00 N ATOM 586 CA PRO A 42 4.478 -6.720 -12.135 1.00 0.00 C ATOM 587 C PRO A 42 4.412 -7.899 -11.137 1.00 0.00 C ATOM 588 O PRO A 42 3.669 -8.861 -11.359 1.00 0.00 O ATOM 589 CB PRO A 42 4.157 -7.147 -13.568 1.00 0.00 C ATOM 590 CG PRO A 42 5.489 -7.726 -14.039 1.00 0.00 C ATOM 591 CD PRO A 42 6.501 -6.779 -13.396 1.00 0.00 C ATOM 0 HA PRO A 42 3.758 -6.014 -11.722 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.357 -7.886 -13.603 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.839 -6.304 -14.182 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.626 -8.755 -13.706 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.569 -7.730 -15.126 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.384 -7.324 -13.062 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.841 -6.031 -14.112 1.00 0.00 H new ATOM 599 N ASP A 43 5.231 -7.884 -10.084 1.00 0.00 N ATOM 600 CA ASP A 43 5.384 -9.002 -9.141 1.00 0.00 C ATOM 601 C ASP A 43 5.945 -8.490 -7.809 1.00 0.00 C ATOM 602 O ASP A 43 6.838 -9.090 -7.204 1.00 0.00 O ATOM 603 CB ASP A 43 6.320 -10.033 -9.777 1.00 0.00 C ATOM 604 CG ASP A 43 6.426 -11.355 -9.024 1.00 0.00 C ATOM 605 OD1 ASP A 43 5.380 -11.933 -8.655 1.00 0.00 O ATOM 606 OD2 ASP A 43 7.569 -11.881 -8.980 1.00 0.00 O ATOM 0 H ASP A 43 5.819 -7.082 -9.855 1.00 0.00 H new ATOM 0 HA ASP A 43 4.420 -9.466 -8.933 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.977 -10.236 -10.792 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.316 -9.597 -9.858 1.00 0.00 H new ATOM 611 N GLU A 44 5.509 -7.302 -7.393 1.00 0.00 N ATOM 612 CA GLU A 44 6.144 -6.528 -6.340 1.00 0.00 C ATOM 613 C GLU A 44 5.154 -6.045 -5.295 1.00 0.00 C ATOM 614 O GLU A 44 3.975 -5.812 -5.563 1.00 0.00 O ATOM 615 CB GLU A 44 6.858 -5.314 -6.942 1.00 0.00 C ATOM 616 CG GLU A 44 8.301 -5.596 -7.343 1.00 0.00 C ATOM 617 CD GLU A 44 9.218 -5.572 -6.121 1.00 0.00 C ATOM 618 OE1 GLU A 44 9.097 -6.476 -5.260 1.00 0.00 O ATOM 619 OE2 GLU A 44 10.076 -4.665 -6.071 1.00 0.00 O ATOM 0 H GLU A 44 4.688 -6.846 -7.790 1.00 0.00 H new ATOM 0 HA GLU A 44 6.857 -7.190 -5.848 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.305 -4.975 -7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.843 -4.498 -6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.364 -6.568 -7.832 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.634 -4.853 -8.068 1.00 0.00 H new ATOM 626 N PHE A 45 5.694 -5.839 -4.100 1.00 0.00 N ATOM 627 CA PHE A 45 4.952 -5.449 -2.923 1.00 0.00 C ATOM 628 C PHE A 45 4.571 -3.979 -3.034 1.00 0.00 C ATOM 629 O PHE A 45 5.428 -3.099 -3.119 1.00 0.00 O ATOM 630 CB PHE A 45 5.785 -5.761 -1.676 1.00 0.00 C ATOM 631 CG PHE A 45 6.321 -7.180 -1.696 1.00 0.00 C ATOM 632 CD1 PHE A 45 5.459 -8.266 -1.450 1.00 0.00 C ATOM 633 CD2 PHE A 45 7.652 -7.420 -2.088 1.00 0.00 C ATOM 634 CE1 PHE A 45 5.927 -9.586 -1.588 1.00 0.00 C ATOM 635 CE2 PHE A 45 8.115 -8.737 -2.226 1.00 0.00 C ATOM 636 CZ PHE A 45 7.255 -9.822 -1.984 1.00 0.00 C ATOM 0 H PHE A 45 6.693 -5.944 -3.925 1.00 0.00 H new ATOM 0 HA PHE A 45 4.024 -6.015 -2.839 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.617 -5.059 -1.610 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.174 -5.616 -0.785 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.436 -8.085 -1.155 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.316 -6.591 -2.282 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.266 -10.417 -1.390 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.138 -8.918 -2.520 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.613 -10.834 -2.102 1.00 0.00 H new ATOM 646 N LEU A 46 3.270 -3.721 -3.080 1.00 0.00 N ATOM 647 CA LEU A 46 2.682 -2.391 -3.154 1.00 0.00 C ATOM 648 C LEU A 46 2.663 -1.857 -1.729 1.00 0.00 C ATOM 649 O LEU A 46 2.088 -2.509 -0.856 1.00 0.00 O ATOM 650 CB LEU A 46 1.244 -2.515 -3.685 1.00 0.00 C ATOM 651 CG LEU A 46 1.166 -3.022 -5.139 1.00 0.00 C ATOM 652 CD1 LEU A 46 -0.098 -3.856 -5.319 1.00 0.00 C ATOM 653 CD2 LEU A 46 1.139 -1.867 -6.146 1.00 0.00 C ATOM 0 H LEU A 46 2.569 -4.462 -3.066 1.00 0.00 H new ATOM 0 HA LEU A 46 3.242 -1.729 -3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.685 -3.194 -3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.757 -1.542 -3.621 1.00 0.00 H new ATOM 0 HG LEU A 46 2.057 -3.621 -5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.154 -4.215 -6.347 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.072 -4.707 -4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.972 -3.243 -5.101 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.084 -2.268 -7.158 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.268 -1.239 -5.956 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.046 -1.271 -6.041 1.00 0.00 H new ATOM 665 N GLN A 47 3.256 -0.697 -1.460 1.00 0.00 N ATOM 666 CA GLN A 47 3.349 -0.157 -0.101 1.00 0.00 C ATOM 667 C GLN A 47 2.550 1.141 -0.004 1.00 0.00 C ATOM 668 O GLN A 47 2.426 1.863 -0.996 1.00 0.00 O ATOM 669 CB GLN A 47 4.814 0.103 0.273 1.00 0.00 C ATOM 670 CG GLN A 47 5.786 -1.058 -0.008 1.00 0.00 C ATOM 671 CD GLN A 47 7.237 -0.663 0.253 1.00 0.00 C ATOM 672 OE1 GLN A 47 7.954 -0.270 -0.654 1.00 0.00 O ATOM 673 NE2 GLN A 47 7.688 -0.695 1.495 1.00 0.00 N ATOM 0 H GLN A 47 3.684 -0.105 -2.172 1.00 0.00 H new ATOM 0 HA GLN A 47 2.936 -0.887 0.595 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.159 0.982 -0.271 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.862 0.345 1.335 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.524 -1.910 0.619 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.678 -1.379 -1.044 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.084 -1.024 2.248 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.640 -0.390 1.700 1.00 0.00 H new ATOM 682 N VAL A 48 2.024 1.501 1.174 1.00 0.00 N ATOM 683 CA VAL A 48 1.540 2.859 1.376 1.00 0.00 C ATOM 684 C VAL A 48 2.743 3.812 1.248 1.00 0.00 C ATOM 685 O VAL A 48 3.716 3.702 1.999 1.00 0.00 O ATOM 686 CB VAL A 48 0.832 2.962 2.742 1.00 0.00 C ATOM 687 CG1 VAL A 48 0.466 4.408 3.087 1.00 0.00 C ATOM 688 CG2 VAL A 48 -0.461 2.135 2.743 1.00 0.00 C ATOM 0 H VAL A 48 1.927 0.883 1.980 1.00 0.00 H new ATOM 0 HA VAL A 48 0.800 3.138 0.626 1.00 0.00 H new ATOM 0 HB VAL A 48 1.533 2.581 3.485 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.031 4.436 4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.372 5.013 3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.204 4.806 2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.947 2.220 3.715 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.132 2.507 1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.224 1.089 2.546 1.00 0.00 H new ATOM 698 N LYS A 49 2.687 4.725 0.273 1.00 0.00 N ATOM 699 CA LYS A 49 3.663 5.780 0.009 1.00 0.00 C ATOM 700 C LYS A 49 3.644 6.796 1.148 1.00 0.00 C ATOM 701 O LYS A 49 4.696 7.124 1.698 1.00 0.00 O ATOM 702 CB LYS A 49 3.329 6.443 -1.343 1.00 0.00 C ATOM 703 CG LYS A 49 4.345 7.517 -1.761 1.00 0.00 C ATOM 704 CD LYS A 49 4.018 8.159 -3.121 1.00 0.00 C ATOM 705 CE LYS A 49 4.629 7.384 -4.300 1.00 0.00 C ATOM 706 NZ LYS A 49 3.629 6.940 -5.297 1.00 0.00 N ATOM 0 H LYS A 49 1.912 4.746 -0.390 1.00 0.00 H new ATOM 0 HA LYS A 49 4.668 5.362 -0.047 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.284 5.675 -2.115 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.338 6.894 -1.284 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.378 8.294 -0.997 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.339 7.071 -1.806 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.936 8.209 -3.245 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.388 9.184 -3.134 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.368 8.014 -4.795 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.159 6.512 -3.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.108 6.425 -6.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.936 6.314 -4.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.139 7.769 -5.690 1.00 0.00 H new ATOM 720 N SER A 50 2.465 7.317 1.495 1.00 0.00 N ATOM 721 CA SER A 50 2.256 8.214 2.623 1.00 0.00 C ATOM 722 C SER A 50 0.790 8.167 3.052 1.00 0.00 C ATOM 723 O SER A 50 -0.089 7.974 2.204 1.00 0.00 O ATOM 724 CB SER A 50 2.571 9.656 2.212 1.00 0.00 C ATOM 725 OG SER A 50 3.772 9.789 1.473 1.00 0.00 O ATOM 0 H SER A 50 1.607 7.118 0.981 1.00 0.00 H new ATOM 0 HA SER A 50 2.908 7.899 3.438 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.744 10.043 1.617 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.636 10.274 3.108 1.00 0.00 H new ATOM 0 HG SER A 50 3.912 10.731 1.242 1.00 0.00 H new ATOM 731 N VAL A 51 0.528 8.461 4.325 1.00 0.00 N ATOM 732 CA VAL A 51 -0.792 8.777 4.860 1.00 0.00 C ATOM 733 C VAL A 51 -0.901 10.308 4.906 1.00 0.00 C ATOM 734 O VAL A 51 -0.138 10.978 5.609 1.00 0.00 O ATOM 735 CB VAL A 51 -1.002 8.104 6.233 1.00 0.00 C ATOM 736 CG1 VAL A 51 -2.409 8.391 6.775 1.00 0.00 C ATOM 737 CG2 VAL A 51 -0.868 6.577 6.127 1.00 0.00 C ATOM 0 H VAL A 51 1.258 8.486 5.037 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.589 8.384 4.229 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.240 8.511 6.898 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.532 7.906 7.743 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.543 9.467 6.889 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.153 8.004 6.079 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.021 6.129 7.109 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.616 6.193 5.433 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.128 6.324 5.764 1.00 0.00 H new ATOM 747 N ILE A 52 -1.800 10.852 4.089 1.00 0.00 N ATOM 748 CA ILE A 52 -2.117 12.260 3.972 1.00 0.00 C ATOM 749 C ILE A 52 -2.866 12.690 5.242 1.00 0.00 C ATOM 750 O ILE A 52 -3.861 12.047 5.597 1.00 0.00 O ATOM 751 CB ILE A 52 -2.983 12.472 2.709 1.00 0.00 C ATOM 752 CG1 ILE A 52 -2.141 12.475 1.419 1.00 0.00 C ATOM 753 CG2 ILE A 52 -3.799 13.776 2.768 1.00 0.00 C ATOM 754 CD1 ILE A 52 -1.404 11.176 1.083 1.00 0.00 C ATOM 0 H ILE A 52 -2.357 10.280 3.455 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.215 12.864 3.873 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.669 11.625 2.688 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.797 12.721 0.584 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.405 13.276 1.493 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.390 13.877 1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.464 13.750 3.631 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.122 14.625 2.857 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.848 11.303 0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.713 10.931 1.889 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.126 10.368 0.966 1.00 0.00 H new ATOM 766 N PRO A 53 -2.452 13.796 5.876 1.00 0.00 N ATOM 767 CA PRO A 53 -3.161 14.351 7.011 1.00 0.00 C ATOM 768 C PRO A 53 -4.457 15.042 6.571 1.00 0.00 C ATOM 769 O PRO A 53 -4.646 15.391 5.401 1.00 0.00 O ATOM 770 CB PRO A 53 -2.185 15.344 7.625 1.00 0.00 C ATOM 771 CG PRO A 53 -1.370 15.847 6.437 1.00 0.00 C ATOM 772 CD PRO A 53 -1.322 14.638 5.513 1.00 0.00 C ATOM 0 HA PRO A 53 -3.465 13.583 7.722 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -2.708 16.160 8.124 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.549 14.868 8.372 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.844 16.703 5.956 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.372 16.164 6.738 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.386 14.945 4.469 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -0.382 14.098 5.629 1.00 0.00 H new ATOM 780 N ASP A 54 -5.359 15.247 7.530 1.00 0.00 N ATOM 781 CA ASP A 54 -6.724 15.762 7.375 1.00 0.00 C ATOM 782 C ASP A 54 -7.583 14.914 6.420 1.00 0.00 C ATOM 783 O ASP A 54 -8.704 15.287 6.057 1.00 0.00 O ATOM 784 CB ASP A 54 -6.718 17.263 7.025 1.00 0.00 C ATOM 785 CG ASP A 54 -7.974 17.964 7.551 1.00 0.00 C ATOM 786 OD1 ASP A 54 -8.130 18.002 8.791 1.00 0.00 O ATOM 787 OD2 ASP A 54 -8.790 18.472 6.746 1.00 0.00 O ATOM 0 H ASP A 54 -5.142 15.044 8.506 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.215 15.668 8.344 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.832 17.734 7.450 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.657 17.386 5.944 1.00 0.00 H new ATOM 792 N GLY A 55 -7.083 13.740 6.026 1.00 0.00 N ATOM 793 CA GLY A 55 -7.765 12.770 5.197 1.00 0.00 C ATOM 794 C GLY A 55 -8.403 11.680 6.060 1.00 0.00 C ATOM 795 O GLY A 55 -7.958 11.433 7.183 1.00 0.00 O ATOM 0 H GLY A 55 -6.147 13.435 6.294 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.532 13.266 4.603 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.060 12.321 4.497 1.00 0.00 H new ATOM 799 N PRO A 56 -9.379 10.927 5.522 1.00 0.00 N ATOM 800 CA PRO A 56 -10.125 9.943 6.301 1.00 0.00 C ATOM 801 C PRO A 56 -9.239 8.813 6.837 1.00 0.00 C ATOM 802 O PRO A 56 -9.581 8.210 7.852 1.00 0.00 O ATOM 803 CB PRO A 56 -11.221 9.418 5.362 1.00 0.00 C ATOM 804 CG PRO A 56 -10.675 9.702 3.963 1.00 0.00 C ATOM 805 CD PRO A 56 -9.893 10.998 4.163 1.00 0.00 C ATOM 0 HA PRO A 56 -10.548 10.399 7.196 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.399 8.353 5.512 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.170 9.927 5.531 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.036 8.894 3.607 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.475 9.821 3.233 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.082 11.085 3.439 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.534 11.869 4.029 1.00 0.00 H new ATOM 813 N ALA A 57 -8.107 8.533 6.179 1.00 0.00 N ATOM 814 CA ALA A 57 -7.174 7.497 6.604 1.00 0.00 C ATOM 815 C ALA A 57 -6.428 7.911 7.876 1.00 0.00 C ATOM 816 O ALA A 57 -6.257 7.078 8.756 1.00 0.00 O ATOM 817 CB ALA A 57 -6.182 7.195 5.478 1.00 0.00 C ATOM 0 H ALA A 57 -7.817 9.024 5.334 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.743 6.595 6.830 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.488 6.420 5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.725 6.850 4.598 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.626 8.099 5.231 1.00 0.00 H new ATOM 823 N ALA A 58 -6.003 9.175 7.981 1.00 0.00 N ATOM 824 CA ALA A 58 -5.326 9.701 9.162 1.00 0.00 C ATOM 825 C ALA A 58 -6.274 9.697 10.367 1.00 0.00 C ATOM 826 O ALA A 58 -5.877 9.349 11.484 1.00 0.00 O ATOM 827 CB ALA A 58 -4.823 11.119 8.861 1.00 0.00 C ATOM 0 H ALA A 58 -6.123 9.865 7.239 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.474 9.068 9.410 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.316 11.519 9.739 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.127 11.088 8.023 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.668 11.759 8.607 1.00 0.00 H new ATOM 833 N GLN A 59 -7.539 10.066 10.139 1.00 0.00 N ATOM 834 CA GLN A 59 -8.570 10.073 11.172 1.00 0.00 C ATOM 835 C GLN A 59 -8.886 8.648 11.642 1.00 0.00 C ATOM 836 O GLN A 59 -9.026 8.407 12.839 1.00 0.00 O ATOM 837 CB GLN A 59 -9.836 10.776 10.657 1.00 0.00 C ATOM 838 CG GLN A 59 -9.566 12.218 10.187 1.00 0.00 C ATOM 839 CD GLN A 59 -10.539 13.219 10.799 1.00 0.00 C ATOM 840 OE1 GLN A 59 -10.170 14.003 11.668 1.00 0.00 O ATOM 841 NE2 GLN A 59 -11.793 13.229 10.377 1.00 0.00 N ATOM 0 H GLN A 59 -7.874 10.370 9.225 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.193 10.629 12.031 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -10.255 10.201 9.831 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -10.586 10.790 11.448 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.546 12.499 10.451 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.638 12.263 9.100 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -12.093 12.575 9.654 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.460 13.891 10.774 1.00 0.00 H new ATOM 850 N ASP A 60 -9.000 7.705 10.704 1.00 0.00 N ATOM 851 CA ASP A 60 -9.240 6.290 10.984 1.00 0.00 C ATOM 852 C ASP A 60 -8.046 5.659 11.706 1.00 0.00 C ATOM 853 O ASP A 60 -8.227 4.865 12.626 1.00 0.00 O ATOM 854 CB ASP A 60 -9.515 5.575 9.660 1.00 0.00 C ATOM 855 CG ASP A 60 -9.758 4.083 9.834 1.00 0.00 C ATOM 856 OD1 ASP A 60 -10.803 3.681 10.398 1.00 0.00 O ATOM 857 OD2 ASP A 60 -8.899 3.320 9.350 1.00 0.00 O ATOM 0 H ASP A 60 -8.926 7.910 9.707 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.102 6.191 11.644 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.384 6.027 9.182 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.669 5.725 8.989 1.00 0.00 H new ATOM 862 N GLY A 61 -6.824 6.039 11.318 1.00 0.00 N ATOM 863 CA GLY A 61 -5.564 5.739 11.989 1.00 0.00 C ATOM 864 C GLY A 61 -5.095 4.291 11.881 1.00 0.00 C ATOM 865 O GLY A 61 -3.977 3.966 12.290 1.00 0.00 O ATOM 0 H GLY A 61 -6.685 6.598 10.476 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.789 6.386 11.577 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.664 5.993 13.044 1.00 0.00 H new ATOM 869 N LYS A 62 -5.907 3.403 11.303 1.00 0.00 N ATOM 870 CA LYS A 62 -5.457 2.044 11.029 1.00 0.00 C ATOM 871 C LYS A 62 -4.365 2.062 9.969 1.00 0.00 C ATOM 872 O LYS A 62 -3.429 1.266 10.029 1.00 0.00 O ATOM 873 CB LYS A 62 -6.622 1.186 10.538 1.00 0.00 C ATOM 874 CG LYS A 62 -7.462 0.549 11.651 1.00 0.00 C ATOM 875 CD LYS A 62 -8.410 1.517 12.363 1.00 0.00 C ATOM 876 CE LYS A 62 -9.359 0.724 13.266 1.00 0.00 C ATOM 877 NZ LYS A 62 -10.251 1.598 14.052 1.00 0.00 N ATOM 0 H LYS A 62 -6.867 3.600 11.020 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.064 1.618 11.952 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.273 1.802 9.918 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.229 0.395 9.900 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.047 -0.266 11.226 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.791 0.109 12.389 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.840 2.233 12.955 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.980 2.090 11.632 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.961 0.052 12.654 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.775 0.102 13.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.873 1.014 14.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.680 2.223 14.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.829 2.174 13.407 1.00 0.00 H new ATOM 891 N MET A 63 -4.524 2.926 8.971 1.00 0.00 N ATOM 892 CA MET A 63 -3.572 3.122 7.893 1.00 0.00 C ATOM 893 C MET A 63 -2.310 3.745 8.468 1.00 0.00 C ATOM 894 O MET A 63 -2.409 4.764 9.152 1.00 0.00 O ATOM 895 CB MET A 63 -4.171 4.094 6.873 1.00 0.00 C ATOM 896 CG MET A 63 -3.468 4.009 5.515 1.00 0.00 C ATOM 897 SD MET A 63 -4.005 2.656 4.447 1.00 0.00 S ATOM 898 CE MET A 63 -5.779 2.970 4.447 1.00 0.00 C ATOM 0 H MET A 63 -5.346 3.525 8.892 1.00 0.00 H new ATOM 0 HA MET A 63 -3.344 2.168 7.416 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.232 3.877 6.746 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.097 5.112 7.256 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.622 4.950 4.986 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.396 3.911 5.686 1.00 0.00 H new ATOM 0 HE1 MET A 63 -6.213 2.603 3.517 1.00 0.00 H new ATOM 0 HE2 MET A 63 -6.240 2.456 5.290 1.00 0.00 H new ATOM 0 HE3 MET A 63 -5.959 4.042 4.534 1.00 0.00 H new ATOM 908 N GLU A 64 -1.140 3.205 8.136 1.00 0.00 N ATOM 909 CA GLU A 64 0.126 3.872 8.397 1.00 0.00 C ATOM 910 C GLU A 64 1.000 3.766 7.154 1.00 0.00 C ATOM 911 O GLU A 64 0.754 2.962 6.250 1.00 0.00 O ATOM 912 CB GLU A 64 0.806 3.323 9.660 1.00 0.00 C ATOM 913 CG GLU A 64 -0.040 3.677 10.897 1.00 0.00 C ATOM 914 CD GLU A 64 0.607 3.270 12.212 1.00 0.00 C ATOM 915 OE1 GLU A 64 1.769 3.651 12.472 1.00 0.00 O ATOM 916 OE2 GLU A 64 -0.051 2.601 13.045 1.00 0.00 O ATOM 0 H GLU A 64 -1.046 2.297 7.681 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.048 4.928 8.603 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.921 2.242 9.583 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.807 3.744 9.759 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.221 4.752 10.908 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.012 3.191 10.814 1.00 0.00 H new ATOM 923 N THR A 65 2.009 4.623 7.085 1.00 0.00 N ATOM 924 CA THR A 65 3.039 4.563 6.068 1.00 0.00 C ATOM 925 C THR A 65 3.958 3.386 6.412 1.00 0.00 C ATOM 926 O THR A 65 4.011 2.946 7.563 1.00 0.00 O ATOM 927 CB THR A 65 3.770 5.918 6.007 1.00 0.00 C ATOM 928 OG1 THR A 65 2.847 6.992 6.118 1.00 0.00 O ATOM 929 CG2 THR A 65 4.512 6.084 4.686 1.00 0.00 C ATOM 0 H THR A 65 2.133 5.390 7.746 1.00 0.00 H new ATOM 0 HA THR A 65 2.631 4.391 5.072 1.00 0.00 H new ATOM 0 HB THR A 65 4.476 5.934 6.837 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.330 7.844 6.079 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.018 7.049 4.672 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.248 5.287 4.579 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.801 6.035 3.861 1.00 0.00 H new ATOM 937 N GLY A 66 4.667 2.846 5.418 1.00 0.00 N ATOM 938 CA GLY A 66 5.493 1.664 5.629 1.00 0.00 C ATOM 939 C GLY A 66 4.661 0.388 5.781 1.00 0.00 C ATOM 940 O GLY A 66 5.224 -0.677 6.025 1.00 0.00 O ATOM 0 H GLY A 66 4.683 3.209 4.465 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.179 1.549 4.790 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.103 1.805 6.522 1.00 0.00 H new ATOM 944 N ASP A 67 3.345 0.428 5.583 1.00 0.00 N ATOM 945 CA ASP A 67 2.528 -0.779 5.476 1.00 0.00 C ATOM 946 C ASP A 67 2.580 -1.311 4.030 1.00 0.00 C ATOM 947 O ASP A 67 2.951 -0.574 3.110 1.00 0.00 O ATOM 948 CB ASP A 67 1.080 -0.471 5.863 1.00 0.00 C ATOM 949 CG ASP A 67 0.751 -0.480 7.364 1.00 0.00 C ATOM 950 OD1 ASP A 67 1.613 -0.853 8.187 1.00 0.00 O ATOM 951 OD2 ASP A 67 -0.411 -0.171 7.725 1.00 0.00 O ATOM 0 H ASP A 67 2.816 1.295 5.492 1.00 0.00 H new ATOM 0 HA ASP A 67 2.920 -1.536 6.155 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.822 0.510 5.464 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.434 -1.196 5.368 1.00 0.00 H new ATOM 956 N VAL A 68 2.200 -2.573 3.807 1.00 0.00 N ATOM 957 CA VAL A 68 2.170 -3.277 2.517 1.00 0.00 C ATOM 958 C VAL A 68 0.714 -3.641 2.198 1.00 0.00 C ATOM 959 O VAL A 68 0.067 -4.269 3.029 1.00 0.00 O ATOM 960 CB VAL A 68 3.060 -4.543 2.600 1.00 0.00 C ATOM 961 CG1 VAL A 68 2.887 -5.472 1.392 1.00 0.00 C ATOM 962 CG2 VAL A 68 4.550 -4.207 2.725 1.00 0.00 C ATOM 0 H VAL A 68 1.884 -3.170 4.571 1.00 0.00 H new ATOM 0 HA VAL A 68 2.560 -2.643 1.720 1.00 0.00 H new ATOM 0 HB VAL A 68 2.722 -5.054 3.501 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.535 -6.341 1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.849 -5.799 1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.154 -4.937 0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.128 -5.130 2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.867 -3.631 1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.716 -3.621 3.629 1.00 0.00 H new ATOM 972 N ILE A 69 0.190 -3.257 1.029 1.00 0.00 N ATOM 973 CA ILE A 69 -1.122 -3.613 0.497 1.00 0.00 C ATOM 974 C ILE A 69 -1.079 -5.071 0.038 1.00 0.00 C ATOM 975 O ILE A 69 -0.516 -5.377 -1.014 1.00 0.00 O ATOM 976 CB ILE A 69 -1.547 -2.659 -0.643 1.00 0.00 C ATOM 977 CG1 ILE A 69 -1.673 -1.190 -0.183 1.00 0.00 C ATOM 978 CG2 ILE A 69 -2.928 -3.073 -1.193 1.00 0.00 C ATOM 979 CD1 ILE A 69 -0.364 -0.414 -0.066 1.00 0.00 C ATOM 0 H ILE A 69 0.707 -2.651 0.392 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.877 -3.506 1.276 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.765 -2.732 -1.399 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.323 -0.665 -0.883 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.170 -1.175 0.787 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.218 -2.395 -1.995 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.876 -4.091 -1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.667 -3.026 -0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.573 0.604 0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.286 -0.904 0.659 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.131 -0.387 -1.037 1.00 0.00 H new ATOM 991 N VAL A 70 -1.693 -5.960 0.816 1.00 0.00 N ATOM 992 CA VAL A 70 -1.846 -7.360 0.454 1.00 0.00 C ATOM 993 C VAL A 70 -3.077 -7.532 -0.443 1.00 0.00 C ATOM 994 O VAL A 70 -3.002 -8.060 -1.558 1.00 0.00 O ATOM 995 CB VAL A 70 -1.999 -8.214 1.725 1.00 0.00 C ATOM 996 CG1 VAL A 70 -1.789 -9.681 1.365 1.00 0.00 C ATOM 997 CG2 VAL A 70 -1.081 -7.832 2.887 1.00 0.00 C ATOM 0 H VAL A 70 -2.100 -5.723 1.721 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.960 -7.688 -0.090 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.009 -8.024 2.089 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.896 -10.294 2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.531 -9.984 0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.790 -9.815 0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.269 -8.494 3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.041 -7.927 2.575 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.278 -6.802 3.183 1.00 0.00 H new ATOM 1007 N TYR A 71 -4.227 -7.109 0.081 1.00 0.00 N ATOM 1008 CA TYR A 71 -5.541 -7.443 -0.437 1.00 0.00 C ATOM 1009 C TYR A 71 -6.368 -6.160 -0.449 1.00 0.00 C ATOM 1010 O TYR A 71 -6.379 -5.414 0.537 1.00 0.00 O ATOM 1011 CB TYR A 71 -6.228 -8.445 0.514 1.00 0.00 C ATOM 1012 CG TYR A 71 -5.589 -9.806 0.754 1.00 0.00 C ATOM 1013 CD1 TYR A 71 -5.736 -10.825 -0.199 1.00 0.00 C ATOM 1014 CD2 TYR A 71 -4.945 -10.108 1.971 1.00 0.00 C ATOM 1015 CE1 TYR A 71 -5.183 -12.097 0.018 1.00 0.00 C ATOM 1016 CE2 TYR A 71 -4.463 -11.391 2.251 1.00 0.00 C ATOM 1017 CZ TYR A 71 -4.567 -12.389 1.261 1.00 0.00 C ATOM 1018 OH TYR A 71 -4.116 -13.630 1.578 1.00 0.00 O ATOM 0 H TYR A 71 -4.264 -6.506 0.903 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.457 -7.878 -1.433 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.333 -7.957 1.483 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.235 -8.619 0.134 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.281 -10.629 -1.110 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.820 -9.328 2.707 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.227 -12.848 -0.757 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.019 -11.613 3.210 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.726 -13.617 2.477 1.00 0.00 H new ATOM 1028 N ILE A 72 -7.155 -5.970 -1.501 1.00 0.00 N ATOM 1029 CA ILE A 72 -8.094 -4.858 -1.664 1.00 0.00 C ATOM 1030 C ILE A 72 -9.469 -5.488 -1.811 1.00 0.00 C ATOM 1031 O ILE A 72 -9.627 -6.440 -2.577 1.00 0.00 O ATOM 1032 CB ILE A 72 -7.735 -3.958 -2.875 1.00 0.00 C ATOM 1033 CG1 ILE A 72 -6.302 -3.406 -2.712 1.00 0.00 C ATOM 1034 CG2 ILE A 72 -8.720 -2.789 -3.077 1.00 0.00 C ATOM 1035 CD1 ILE A 72 -5.848 -2.433 -3.804 1.00 0.00 C ATOM 0 H ILE A 72 -7.160 -6.609 -2.296 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.058 -4.191 -0.803 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.803 -4.587 -3.763 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.232 -2.903 -1.748 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.608 -4.246 -2.685 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.412 -2.199 -3.940 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.722 -3.183 -3.246 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.723 -2.158 -2.188 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.830 -2.104 -3.598 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.879 -2.933 -4.772 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.512 -1.569 -3.820 1.00 0.00 H new ATOM 1047 N ASN A 73 -10.448 -4.948 -1.086 1.00 0.00 N ATOM 1048 CA ASN A 73 -11.861 -5.330 -1.062 1.00 0.00 C ATOM 1049 C ASN A 73 -12.097 -6.776 -0.669 1.00 0.00 C ATOM 1050 O ASN A 73 -12.476 -7.020 0.474 1.00 0.00 O ATOM 1051 CB ASN A 73 -12.596 -4.971 -2.366 1.00 0.00 C ATOM 1052 CG ASN A 73 -12.829 -3.478 -2.445 1.00 0.00 C ATOM 1053 OD1 ASN A 73 -13.327 -2.895 -1.490 1.00 0.00 O ATOM 1054 ND2 ASN A 73 -12.448 -2.838 -3.536 1.00 0.00 N ATOM 0 H ASN A 73 -10.260 -4.172 -0.451 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.298 -4.726 -0.267 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -12.010 -5.300 -3.224 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -13.549 -5.497 -2.411 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -12.565 -1.827 -3.601 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -12.037 -3.355 -4.313 1.00 0.00 H new ATOM 1061 N GLU A 74 -11.905 -7.721 -1.583 1.00 0.00 N ATOM 1062 CA GLU A 74 -12.170 -9.148 -1.401 1.00 0.00 C ATOM 1063 C GLU A 74 -11.202 -9.973 -2.271 1.00 0.00 C ATOM 1064 O GLU A 74 -11.498 -11.100 -2.678 1.00 0.00 O ATOM 1065 CB GLU A 74 -13.645 -9.416 -1.748 1.00 0.00 C ATOM 1066 CG GLU A 74 -14.218 -10.567 -0.909 1.00 0.00 C ATOM 1067 CD GLU A 74 -15.539 -11.095 -1.476 1.00 0.00 C ATOM 1068 OE1 GLU A 74 -16.359 -10.323 -2.021 1.00 0.00 O ATOM 1069 OE2 GLU A 74 -15.747 -12.329 -1.437 1.00 0.00 O ATOM 0 H GLU A 74 -11.545 -7.506 -2.513 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.001 -9.449 -0.367 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.230 -8.513 -1.577 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.733 -9.657 -2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.492 -11.379 -0.866 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -14.375 -10.225 0.114 1.00 0.00 H new ATOM 1076 N VAL A 75 -10.070 -9.375 -2.645 1.00 0.00 N ATOM 1077 CA VAL A 75 -9.212 -9.813 -3.734 1.00 0.00 C ATOM 1078 C VAL A 75 -7.752 -9.726 -3.260 1.00 0.00 C ATOM 1079 O VAL A 75 -7.444 -8.898 -2.399 1.00 0.00 O ATOM 1080 CB VAL A 75 -9.507 -8.893 -4.948 1.00 0.00 C ATOM 1081 CG1 VAL A 75 -8.683 -9.359 -6.150 1.00 0.00 C ATOM 1082 CG2 VAL A 75 -10.996 -8.828 -5.343 1.00 0.00 C ATOM 0 H VAL A 75 -9.717 -8.541 -2.176 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.396 -10.845 -4.032 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.228 -7.885 -4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.889 -8.714 -7.004 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.622 -9.309 -5.905 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.950 -10.386 -6.398 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.117 -8.164 -6.199 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -11.347 -9.826 -5.605 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.579 -8.447 -4.504 1.00 0.00 H new ATOM 1092 N CYS A 76 -6.847 -10.549 -3.806 1.00 0.00 N ATOM 1093 CA CYS A 76 -5.401 -10.368 -3.692 1.00 0.00 C ATOM 1094 C CYS A 76 -4.901 -9.447 -4.817 1.00 0.00 C ATOM 1095 O CYS A 76 -5.247 -9.640 -5.986 1.00 0.00 O ATOM 1096 CB CYS A 76 -4.677 -11.727 -3.747 1.00 0.00 C ATOM 1097 SG CYS A 76 -5.109 -12.716 -5.205 1.00 0.00 S ATOM 0 H CYS A 76 -7.108 -11.373 -4.348 1.00 0.00 H new ATOM 0 HA CYS A 76 -5.180 -9.905 -2.730 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -3.600 -11.557 -3.739 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -4.917 -12.295 -2.848 1.00 0.00 H new ATOM 0 HG CYS A 76 -5.369 -11.926 -6.204 1.00 0.00 H new ATOM 1103 N VAL A 77 -4.003 -8.521 -4.488 1.00 0.00 N ATOM 1104 CA VAL A 77 -3.212 -7.729 -5.441 1.00 0.00 C ATOM 1105 C VAL A 77 -1.721 -7.777 -5.073 1.00 0.00 C ATOM 1106 O VAL A 77 -0.951 -6.934 -5.518 1.00 0.00 O ATOM 1107 CB VAL A 77 -3.708 -6.267 -5.521 1.00 0.00 C ATOM 1108 CG1 VAL A 77 -4.988 -6.126 -6.355 1.00 0.00 C ATOM 1109 CG2 VAL A 77 -3.836 -5.628 -4.133 1.00 0.00 C ATOM 0 H VAL A 77 -3.795 -8.289 -3.517 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.344 -8.173 -6.428 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.940 -5.705 -6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.293 -5.080 -6.379 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.800 -6.473 -7.371 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.781 -6.725 -5.908 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.187 -4.601 -4.236 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.548 -6.197 -3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.864 -5.631 -3.640 1.00 0.00 H new ATOM 1119 N LEU A 78 -1.310 -8.711 -4.215 1.00 0.00 N ATOM 1120 CA LEU A 78 -0.071 -8.620 -3.449 1.00 0.00 C ATOM 1121 C LEU A 78 1.176 -8.464 -4.328 1.00 0.00 C ATOM 1122 O LEU A 78 2.108 -7.789 -3.900 1.00 0.00 O ATOM 1123 CB LEU A 78 -0.031 -9.805 -2.466 1.00 0.00 C ATOM 1124 CG LEU A 78 0.935 -10.970 -2.763 1.00 0.00 C ATOM 1125 CD1 LEU A 78 2.351 -10.721 -2.228 1.00 0.00 C ATOM 1126 CD2 LEU A 78 0.433 -12.249 -2.088 1.00 0.00 C ATOM 0 H LEU A 78 -1.838 -9.564 -4.031 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.059 -7.698 -2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.217 -9.411 -1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.038 -10.217 -2.401 1.00 0.00 H new ATOM 0 HG LEU A 78 0.970 -11.061 -3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.985 -11.575 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.762 -9.823 -2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.313 -10.588 -1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.120 -13.067 -2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.378 -12.094 -1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.557 -12.497 -2.470 1.00 0.00 H new ATOM 1138 N GLY A 79 1.173 -9.044 -5.531 1.00 0.00 N ATOM 1139 CA GLY A 79 2.170 -8.843 -6.570 1.00 0.00 C ATOM 1140 C GLY A 79 1.475 -8.469 -7.873 1.00 0.00 C ATOM 1141 O GLY A 79 1.692 -9.138 -8.885 1.00 0.00 O ATOM 0 H GLY A 79 0.440 -9.695 -5.814 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.864 -8.055 -6.276 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.758 -9.751 -6.706 1.00 0.00 H new ATOM 1145 N HIS A 80 0.561 -7.496 -7.825 1.00 0.00 N ATOM 1146 CA HIS A 80 -0.178 -6.996 -8.992 1.00 0.00 C ATOM 1147 C HIS A 80 0.428 -5.697 -9.544 1.00 0.00 C ATOM 1148 O HIS A 80 1.294 -5.098 -8.908 1.00 0.00 O ATOM 1149 CB HIS A 80 -1.653 -6.827 -8.616 1.00 0.00 C ATOM 1150 CG HIS A 80 -2.618 -6.990 -9.756 1.00 0.00 C ATOM 1151 ND1 HIS A 80 -3.752 -6.244 -9.979 1.00 0.00 N ATOM 1152 CD2 HIS A 80 -2.624 -8.034 -10.640 1.00 0.00 C ATOM 1153 CE1 HIS A 80 -4.433 -6.838 -10.970 1.00 0.00 C ATOM 1154 NE2 HIS A 80 -3.772 -7.919 -11.424 1.00 0.00 N ATOM 0 H HIS A 80 0.308 -7.023 -6.957 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.100 -7.725 -9.798 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.901 -7.553 -7.842 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -1.791 -5.837 -8.181 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.875 -8.808 -10.717 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.383 -6.495 -11.352 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.054 -8.532 -12.189 1.00 0.00 H new ATOM 1162 N THR A 81 -0.006 -5.222 -10.716 1.00 0.00 N ATOM 1163 CA THR A 81 0.584 -4.050 -11.348 1.00 0.00 C ATOM 1164 C THR A 81 0.025 -2.797 -10.668 1.00 0.00 C ATOM 1165 O THR A 81 -1.202 -2.670 -10.546 1.00 0.00 O ATOM 1166 CB THR A 81 0.227 -4.068 -12.850 1.00 0.00 C ATOM 1167 OG1 THR A 81 -1.106 -4.516 -13.032 1.00 0.00 O ATOM 1168 CG2 THR A 81 1.131 -4.990 -13.668 1.00 0.00 C ATOM 0 H THR A 81 -0.771 -5.640 -11.246 1.00 0.00 H new ATOM 0 HA THR A 81 1.669 -4.052 -11.245 1.00 0.00 H new ATOM 0 HB THR A 81 0.360 -3.044 -13.199 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.322 -4.522 -13.988 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.830 -4.959 -14.715 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.166 -4.659 -13.578 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.043 -6.010 -13.295 1.00 0.00 H new ATOM 1176 N HIS A 82 0.890 -1.839 -10.317 1.00 0.00 N ATOM 1177 CA HIS A 82 0.499 -0.540 -9.772 1.00 0.00 C ATOM 1178 C HIS A 82 -0.502 0.163 -10.682 1.00 0.00 C ATOM 1179 O HIS A 82 -1.481 0.680 -10.163 1.00 0.00 O ATOM 1180 CB HIS A 82 1.767 0.280 -9.495 1.00 0.00 C ATOM 1181 CG HIS A 82 1.571 1.547 -8.693 1.00 0.00 C ATOM 1182 ND1 HIS A 82 2.156 2.768 -8.960 1.00 0.00 N ATOM 1183 CD2 HIS A 82 0.864 1.676 -7.525 1.00 0.00 C ATOM 1184 CE1 HIS A 82 1.759 3.632 -8.010 1.00 0.00 C ATOM 1185 NE2 HIS A 82 0.970 3.011 -7.115 1.00 0.00 N ATOM 0 H HIS A 82 1.900 -1.950 -10.407 1.00 0.00 H new ATOM 0 HA HIS A 82 -0.025 -0.668 -8.825 1.00 0.00 H new ATOM 0 HB2 HIS A 82 2.479 -0.355 -8.967 1.00 0.00 H new ATOM 0 HB3 HIS A 82 2.222 0.544 -10.450 1.00 0.00 H new ATOM 0 HD2 HIS A 82 0.324 0.892 -7.015 1.00 0.00 H new ATOM 0 HE1 HIS A 82 2.034 4.676 -7.971 1.00 0.00 H new ATOM 0 HE2 HIS A 82 0.533 3.432 -6.295 1.00 0.00 H new ATOM 1193 N ALA A 83 -0.362 0.125 -12.010 1.00 0.00 N ATOM 1194 CA ALA A 83 -1.333 0.772 -12.892 1.00 0.00 C ATOM 1195 C ALA A 83 -2.756 0.253 -12.661 1.00 0.00 C ATOM 1196 O ALA A 83 -3.699 1.047 -12.665 1.00 0.00 O ATOM 1197 CB ALA A 83 -0.938 0.580 -14.354 1.00 0.00 C ATOM 0 H ALA A 83 0.406 -0.342 -12.492 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.326 1.835 -12.653 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.671 1.068 -14.996 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.044 1.020 -14.526 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.905 -0.485 -14.585 1.00 0.00 H new ATOM 1203 N ASP A 84 -2.912 -1.056 -12.450 1.00 0.00 N ATOM 1204 CA ASP A 84 -4.204 -1.698 -12.212 1.00 0.00 C ATOM 1205 C ASP A 84 -4.710 -1.365 -10.813 1.00 0.00 C ATOM 1206 O ASP A 84 -5.861 -0.992 -10.652 1.00 0.00 O ATOM 1207 CB ASP A 84 -4.080 -3.222 -12.334 1.00 0.00 C ATOM 1208 CG ASP A 84 -5.410 -3.811 -12.788 1.00 0.00 C ATOM 1209 OD1 ASP A 84 -6.244 -4.150 -11.926 1.00 0.00 O ATOM 1210 OD2 ASP A 84 -5.583 -3.981 -14.021 1.00 0.00 O ATOM 0 H ASP A 84 -2.129 -1.710 -12.440 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.904 -1.326 -12.960 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.296 -3.477 -13.047 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.790 -3.651 -11.375 1.00 0.00 H new ATOM 1215 N VAL A 85 -3.862 -1.467 -9.791 1.00 0.00 N ATOM 1216 CA VAL A 85 -4.210 -1.181 -8.401 1.00 0.00 C ATOM 1217 C VAL A 85 -4.612 0.280 -8.234 1.00 0.00 C ATOM 1218 O VAL A 85 -5.609 0.581 -7.578 1.00 0.00 O ATOM 1219 CB VAL A 85 -3.050 -1.640 -7.492 1.00 0.00 C ATOM 1220 CG1 VAL A 85 -3.068 -1.002 -6.097 1.00 0.00 C ATOM 1221 CG2 VAL A 85 -3.178 -3.159 -7.359 1.00 0.00 C ATOM 0 H VAL A 85 -2.891 -1.758 -9.910 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.091 -1.745 -8.094 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.108 -1.329 -7.945 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.223 -1.373 -5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.996 0.081 -6.191 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.998 -1.261 -5.591 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.378 -3.537 -6.723 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.142 -3.405 -6.914 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.105 -3.618 -8.345 1.00 0.00 H new ATOM 1231 N VAL A 86 -3.903 1.206 -8.867 1.00 0.00 N ATOM 1232 CA VAL A 86 -4.312 2.594 -8.891 1.00 0.00 C ATOM 1233 C VAL A 86 -5.678 2.706 -9.580 1.00 0.00 C ATOM 1234 O VAL A 86 -6.556 3.389 -9.051 1.00 0.00 O ATOM 1235 CB VAL A 86 -3.206 3.449 -9.527 1.00 0.00 C ATOM 1236 CG1 VAL A 86 -3.713 4.890 -9.656 1.00 0.00 C ATOM 1237 CG2 VAL A 86 -1.926 3.395 -8.663 1.00 0.00 C ATOM 0 H VAL A 86 -3.038 1.014 -9.372 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.446 2.986 -7.883 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.959 3.062 -10.515 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.938 5.510 -10.106 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.603 4.908 -10.285 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.960 5.279 -8.668 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.149 4.005 -9.125 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.144 3.778 -7.666 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.581 2.364 -8.588 1.00 0.00 H new ATOM 1247 N LYS A 87 -5.906 1.998 -10.693 1.00 0.00 N ATOM 1248 CA LYS A 87 -7.225 1.933 -11.328 1.00 0.00 C ATOM 1249 C LYS A 87 -8.269 1.452 -10.320 1.00 0.00 C ATOM 1250 O LYS A 87 -9.346 2.025 -10.239 1.00 0.00 O ATOM 1251 CB LYS A 87 -7.151 1.082 -12.620 1.00 0.00 C ATOM 1252 CG LYS A 87 -8.079 -0.145 -12.728 1.00 0.00 C ATOM 1253 CD LYS A 87 -9.511 0.210 -13.139 1.00 0.00 C ATOM 1254 CE LYS A 87 -9.505 0.330 -14.660 1.00 0.00 C ATOM 1255 NZ LYS A 87 -10.796 0.784 -15.211 1.00 0.00 N ATOM 0 H LYS A 87 -5.187 1.459 -11.174 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.546 2.926 -11.641 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.363 1.737 -13.465 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.124 0.736 -12.735 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.663 -0.843 -13.454 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.102 -0.660 -11.768 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.211 -0.559 -12.813 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.827 1.145 -12.677 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.723 1.028 -14.960 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.252 -0.638 -15.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.729 0.846 -16.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.541 0.107 -14.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.029 1.720 -14.823 1.00 0.00 H new ATOM 1269 N LEU A 88 -7.952 0.433 -9.530 1.00 0.00 N ATOM 1270 CA LEU A 88 -8.879 -0.205 -8.609 1.00 0.00 C ATOM 1271 C LEU A 88 -9.268 0.776 -7.510 1.00 0.00 C ATOM 1272 O LEU A 88 -10.429 0.829 -7.107 1.00 0.00 O ATOM 1273 CB LEU A 88 -8.233 -1.482 -8.043 1.00 0.00 C ATOM 1274 CG LEU A 88 -8.252 -2.660 -9.037 1.00 0.00 C ATOM 1275 CD1 LEU A 88 -7.250 -3.738 -8.607 1.00 0.00 C ATOM 1276 CD2 LEU A 88 -9.668 -3.231 -9.133 1.00 0.00 C ATOM 0 H LEU A 88 -7.020 0.019 -9.513 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.793 -0.493 -9.128 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.202 -1.267 -7.763 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.756 -1.774 -7.132 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.955 -2.303 -10.023 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.275 -4.563 -9.319 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.247 -3.312 -8.580 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.515 -4.106 -7.616 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -9.678 -4.063 -9.837 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -9.986 -3.582 -8.151 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -10.350 -2.455 -9.480 1.00 0.00 H new ATOM 1288 N PHE A 89 -8.324 1.593 -7.047 1.00 0.00 N ATOM 1289 CA PHE A 89 -8.624 2.672 -6.123 1.00 0.00 C ATOM 1290 C PHE A 89 -9.417 3.801 -6.795 1.00 0.00 C ATOM 1291 O PHE A 89 -10.203 4.470 -6.118 1.00 0.00 O ATOM 1292 CB PHE A 89 -7.323 3.220 -5.537 1.00 0.00 C ATOM 1293 CG PHE A 89 -6.641 2.334 -4.509 1.00 0.00 C ATOM 1294 CD1 PHE A 89 -7.279 2.073 -3.282 1.00 0.00 C ATOM 1295 CD2 PHE A 89 -5.350 1.817 -4.734 1.00 0.00 C ATOM 1296 CE1 PHE A 89 -6.604 1.385 -2.266 1.00 0.00 C ATOM 1297 CE2 PHE A 89 -4.689 1.093 -3.729 1.00 0.00 C ATOM 1298 CZ PHE A 89 -5.303 0.903 -2.483 1.00 0.00 C ATOM 0 H PHE A 89 -7.339 1.523 -7.302 1.00 0.00 H new ATOM 0 HA PHE A 89 -9.248 2.267 -5.326 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.625 3.401 -6.355 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.531 4.186 -5.077 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -8.294 2.405 -3.123 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.866 1.979 -5.686 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.085 1.225 -1.313 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.708 0.682 -3.916 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.777 0.388 -1.693 1.00 0.00 H new ATOM 1308 N GLN A 90 -9.210 4.065 -8.088 1.00 0.00 N ATOM 1309 CA GLN A 90 -9.960 5.067 -8.841 1.00 0.00 C ATOM 1310 C GLN A 90 -11.413 4.629 -9.040 1.00 0.00 C ATOM 1311 O GLN A 90 -12.298 5.479 -8.996 1.00 0.00 O ATOM 1312 CB GLN A 90 -9.292 5.339 -10.195 1.00 0.00 C ATOM 1313 CG GLN A 90 -7.953 6.073 -10.059 1.00 0.00 C ATOM 1314 CD GLN A 90 -8.118 7.586 -10.139 1.00 0.00 C ATOM 1315 OE1 GLN A 90 -8.432 8.143 -11.192 1.00 0.00 O ATOM 1316 NE2 GLN A 90 -7.893 8.289 -9.049 1.00 0.00 N ATOM 0 H GLN A 90 -8.507 3.581 -8.646 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.960 5.991 -8.263 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -9.132 4.393 -10.713 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -9.965 5.932 -10.815 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.490 5.809 -9.108 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.276 5.740 -10.846 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.634 7.817 -8.183 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -7.978 9.305 -9.071 1.00 0.00 H new ATOM 1325 N SER A 91 -11.674 3.324 -9.183 1.00 0.00 N ATOM 1326 CA SER A 91 -13.000 2.758 -9.433 1.00 0.00 C ATOM 1327 C SER A 91 -14.032 3.093 -8.343 1.00 0.00 C ATOM 1328 O SER A 91 -15.238 2.945 -8.568 1.00 0.00 O ATOM 1329 CB SER A 91 -12.886 1.232 -9.589 1.00 0.00 C ATOM 1330 OG SER A 91 -12.136 0.878 -10.739 1.00 0.00 O ATOM 0 H SER A 91 -10.944 2.613 -9.126 1.00 0.00 H new ATOM 0 HA SER A 91 -13.365 3.216 -10.352 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.414 0.810 -8.702 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.883 0.797 -9.657 1.00 0.00 H new ATOM 0 HG SER A 91 -11.217 1.204 -10.643 1.00 0.00 H new ATOM 1336 N VAL A 92 -13.582 3.545 -7.174 1.00 0.00 N ATOM 1337 CA VAL A 92 -14.396 3.850 -6.013 1.00 0.00 C ATOM 1338 C VAL A 92 -14.930 5.283 -6.175 1.00 0.00 C ATOM 1339 O VAL A 92 -14.127 6.226 -6.132 1.00 0.00 O ATOM 1340 CB VAL A 92 -13.559 3.673 -4.730 1.00 0.00 C ATOM 1341 CG1 VAL A 92 -14.505 3.584 -3.525 1.00 0.00 C ATOM 1342 CG2 VAL A 92 -12.673 2.417 -4.771 1.00 0.00 C ATOM 0 H VAL A 92 -12.590 3.715 -7.009 1.00 0.00 H new ATOM 0 HA VAL A 92 -15.244 3.170 -5.930 1.00 0.00 H new ATOM 0 HB VAL A 92 -12.898 4.535 -4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -13.922 3.459 -2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -15.094 4.499 -3.456 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.173 2.731 -3.649 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -12.106 2.341 -3.843 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.300 1.533 -4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -11.984 2.485 -5.613 1.00 0.00 H new ATOM 1352 N PRO A 93 -16.240 5.488 -6.411 1.00 0.00 N ATOM 1353 CA PRO A 93 -16.826 6.818 -6.451 1.00 0.00 C ATOM 1354 C PRO A 93 -16.835 7.442 -5.056 1.00 0.00 C ATOM 1355 O PRO A 93 -16.670 6.756 -4.044 1.00 0.00 O ATOM 1356 CB PRO A 93 -18.267 6.639 -6.957 1.00 0.00 C ATOM 1357 CG PRO A 93 -18.310 5.212 -7.485 1.00 0.00 C ATOM 1358 CD PRO A 93 -17.305 4.518 -6.574 1.00 0.00 C ATOM 0 HA PRO A 93 -16.252 7.480 -7.100 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -18.991 6.788 -6.156 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.505 7.359 -7.740 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -19.305 4.775 -7.405 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -18.020 5.154 -8.534 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.753 4.254 -5.616 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -16.937 3.594 -7.019 1.00 0.00 H new ATOM 1366 N ILE A 94 -17.120 8.741 -5.006 1.00 0.00 N ATOM 1367 CA ILE A 94 -17.490 9.466 -3.799 1.00 0.00 C ATOM 1368 C ILE A 94 -18.643 8.706 -3.144 1.00 0.00 C ATOM 1369 O ILE A 94 -19.655 8.447 -3.797 1.00 0.00 O ATOM 1370 CB ILE A 94 -17.856 10.919 -4.176 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -16.584 11.657 -4.656 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -18.510 11.663 -3.000 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -16.862 12.996 -5.337 1.00 0.00 C ATOM 0 H ILE A 94 -17.098 9.336 -5.834 1.00 0.00 H new ATOM 0 HA ILE A 94 -16.671 9.527 -3.083 1.00 0.00 H new ATOM 0 HB ILE A 94 -18.588 10.895 -4.983 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -15.929 11.825 -3.801 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -16.043 11.014 -5.350 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -18.753 12.681 -3.304 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -19.422 11.145 -2.704 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -17.819 11.691 -2.158 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -15.920 13.450 -5.644 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -17.490 12.835 -6.213 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -17.375 13.659 -4.640 1.00 0.00 H new ATOM 1385 N GLY A 95 -18.485 8.360 -1.866 1.00 0.00 N ATOM 1386 CA GLY A 95 -19.511 7.705 -1.077 1.00 0.00 C ATOM 1387 C GLY A 95 -19.252 6.214 -0.895 1.00 0.00 C ATOM 1388 O GLY A 95 -19.636 5.682 0.144 1.00 0.00 O ATOM 0 H GLY A 95 -17.624 8.533 -1.348 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -19.570 8.181 -0.098 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -20.479 7.845 -1.559 1.00 0.00 H new ATOM 1392 N GLN A 96 -18.557 5.530 -1.810 1.00 0.00 N ATOM 1393 CA GLN A 96 -18.357 4.093 -1.650 1.00 0.00 C ATOM 1394 C GLN A 96 -17.157 3.876 -0.735 1.00 0.00 C ATOM 1395 O GLN A 96 -16.184 4.630 -0.793 1.00 0.00 O ATOM 1396 CB GLN A 96 -18.095 3.400 -2.994 1.00 0.00 C ATOM 1397 CG GLN A 96 -19.320 3.339 -3.923 1.00 0.00 C ATOM 1398 CD GLN A 96 -19.212 2.331 -5.077 1.00 0.00 C ATOM 1399 OE1 GLN A 96 -19.768 2.531 -6.152 1.00 0.00 O ATOM 1400 NE2 GLN A 96 -18.493 1.231 -4.944 1.00 0.00 N ATOM 0 H GLN A 96 -18.136 5.937 -2.645 1.00 0.00 H new ATOM 0 HA GLN A 96 -19.263 3.662 -1.225 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -17.289 3.923 -3.508 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -17.746 2.385 -2.804 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -20.198 3.092 -3.326 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -19.489 4.331 -4.342 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -18.018 1.036 -4.063 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -18.413 0.577 -5.723 1.00 0.00 H new ATOM 1409 N SER A 97 -17.193 2.833 0.085 1.00 0.00 N ATOM 1410 CA SER A 97 -16.074 2.382 0.882 1.00 0.00 C ATOM 1411 C SER A 97 -15.430 1.159 0.236 1.00 0.00 C ATOM 1412 O SER A 97 -16.035 0.504 -0.617 1.00 0.00 O ATOM 1413 CB SER A 97 -16.525 2.117 2.330 1.00 0.00 C ATOM 1414 OG SER A 97 -17.841 2.544 2.649 1.00 0.00 O ATOM 0 H SER A 97 -18.030 2.265 0.213 1.00 0.00 H new ATOM 0 HA SER A 97 -15.314 3.162 0.922 1.00 0.00 H new ATOM 0 HB2 SER A 97 -16.452 1.047 2.525 1.00 0.00 H new ATOM 0 HB3 SER A 97 -15.827 2.612 3.006 1.00 0.00 H new ATOM 0 HG SER A 97 -18.036 2.332 3.586 1.00 0.00 H new ATOM 1420 N VAL A 98 -14.197 0.858 0.635 1.00 0.00 N ATOM 1421 CA VAL A 98 -13.456 -0.330 0.238 1.00 0.00 C ATOM 1422 C VAL A 98 -12.749 -0.909 1.451 1.00 0.00 C ATOM 1423 O VAL A 98 -12.511 -0.180 2.413 1.00 0.00 O ATOM 1424 CB VAL A 98 -12.446 0.012 -0.874 1.00 0.00 C ATOM 1425 CG1 VAL A 98 -13.217 0.314 -2.154 1.00 0.00 C ATOM 1426 CG2 VAL A 98 -11.516 1.192 -0.547 1.00 0.00 C ATOM 0 H VAL A 98 -13.669 1.459 1.268 1.00 0.00 H new ATOM 0 HA VAL A 98 -14.148 -1.073 -0.158 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.796 -0.856 -0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -12.516 0.558 -2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.803 -0.559 -2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.884 1.159 -1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.838 1.364 -1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -12.112 2.088 -0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.937 0.962 0.348 1.00 0.00 H new ATOM 1436 N ASN A 99 -12.409 -2.200 1.396 1.00 0.00 N ATOM 1437 CA ASN A 99 -11.569 -2.837 2.400 1.00 0.00 C ATOM 1438 C ASN A 99 -10.120 -2.842 1.954 1.00 0.00 C ATOM 1439 O ASN A 99 -9.853 -2.825 0.748 1.00 0.00 O ATOM 1440 CB ASN A 99 -12.001 -4.289 2.643 1.00 0.00 C ATOM 1441 CG ASN A 99 -12.000 -4.559 4.135 1.00 0.00 C ATOM 1442 OD1 ASN A 99 -11.138 -4.100 4.876 1.00 0.00 O ATOM 1443 ND2 ASN A 99 -13.023 -5.237 4.604 1.00 0.00 N ATOM 0 H ASN A 99 -12.711 -2.828 0.652 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.678 -2.265 3.322 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.995 -4.461 2.230 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.322 -4.974 2.136 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.115 -5.393 5.608 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.726 -5.608 3.964 1.00 0.00 H new ATOM 1450 N LEU A 100 -9.193 -2.934 2.905 1.00 0.00 N ATOM 1451 CA LEU A 100 -7.773 -3.136 2.654 1.00 0.00 C ATOM 1452 C LEU A 100 -7.258 -4.034 3.768 1.00 0.00 C ATOM 1453 O LEU A 100 -7.535 -3.732 4.928 1.00 0.00 O ATOM 1454 CB LEU A 100 -7.021 -1.796 2.700 1.00 0.00 C ATOM 1455 CG LEU A 100 -7.523 -0.741 1.701 1.00 0.00 C ATOM 1456 CD1 LEU A 100 -7.068 0.634 2.168 1.00 0.00 C ATOM 1457 CD2 LEU A 100 -7.040 -0.981 0.270 1.00 0.00 C ATOM 0 H LEU A 100 -9.418 -2.868 3.898 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.618 -3.578 1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.097 -1.387 3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.964 -1.982 2.510 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.610 -0.811 1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.419 1.391 1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.480 0.837 3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.979 0.660 2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.431 -0.200 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.950 -0.962 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.394 -1.953 -0.075 1.00 0.00 H new ATOM 1469 N VAL A 101 -6.492 -5.076 3.444 1.00 0.00 N ATOM 1470 CA VAL A 101 -5.612 -5.743 4.399 1.00 0.00 C ATOM 1471 C VAL A 101 -4.237 -5.168 4.134 1.00 0.00 C ATOM 1472 O VAL A 101 -3.746 -5.245 2.996 1.00 0.00 O ATOM 1473 CB VAL A 101 -5.551 -7.266 4.216 1.00 0.00 C ATOM 1474 CG1 VAL A 101 -4.743 -7.982 5.309 1.00 0.00 C ATOM 1475 CG2 VAL A 101 -6.943 -7.911 4.181 1.00 0.00 C ATOM 0 H VAL A 101 -6.466 -5.481 2.508 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.981 -5.577 5.411 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.051 -7.392 3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.742 -9.055 5.117 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.718 -7.612 5.305 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.195 -7.788 6.282 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.842 -8.988 4.050 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.462 -7.707 5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.515 -7.497 3.351 1.00 0.00 H new ATOM 1485 N LEU A 102 -3.634 -4.599 5.171 1.00 0.00 N ATOM 1486 CA LEU A 102 -2.254 -4.176 5.128 1.00 0.00 C ATOM 1487 C LEU A 102 -1.414 -5.122 5.990 1.00 0.00 C ATOM 1488 O LEU A 102 -1.935 -5.807 6.872 1.00 0.00 O ATOM 1489 CB LEU A 102 -2.099 -2.707 5.563 1.00 0.00 C ATOM 1490 CG LEU A 102 -2.744 -1.610 4.676 1.00 0.00 C ATOM 1491 CD1 LEU A 102 -1.931 -0.303 4.634 1.00 0.00 C ATOM 1492 CD2 LEU A 102 -2.869 -1.948 3.195 1.00 0.00 C ATOM 0 H LEU A 102 -4.095 -4.421 6.063 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.894 -4.227 4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.514 -2.611 6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.033 -2.492 5.637 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.717 -1.519 5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.438 0.421 3.996 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.841 0.102 5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.937 -0.505 4.234 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.332 -1.113 2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.879 -2.134 2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.486 -2.839 3.076 1.00 0.00 H new ATOM 1504 N CYS A 103 -0.103 -5.135 5.761 1.00 0.00 N ATOM 1505 CA CYS A 103 0.877 -5.781 6.621 1.00 0.00 C ATOM 1506 C CYS A 103 1.819 -4.689 7.116 1.00 0.00 C ATOM 1507 O CYS A 103 2.427 -4.005 6.288 1.00 0.00 O ATOM 1508 CB CYS A 103 1.622 -6.884 5.849 1.00 0.00 C ATOM 1509 SG CYS A 103 2.664 -7.892 6.949 1.00 0.00 S ATOM 0 H CYS A 103 0.315 -4.683 4.948 1.00 0.00 H new ATOM 0 HA CYS A 103 0.403 -6.272 7.471 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.900 -7.525 5.344 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.242 -6.431 5.075 1.00 0.00 H new ATOM 0 HG CYS A 103 2.145 -9.077 7.073 1.00 0.00 H new ATOM 1515 N ARG A 104 1.935 -4.505 8.430 1.00 0.00 N ATOM 1516 CA ARG A 104 3.041 -3.790 9.072 1.00 0.00 C ATOM 1517 C ARG A 104 4.268 -4.695 9.079 1.00 0.00 C ATOM 1518 O ARG A 104 4.108 -5.915 9.080 1.00 0.00 O ATOM 1519 CB ARG A 104 2.657 -3.445 10.523 1.00 0.00 C ATOM 1520 CG ARG A 104 3.222 -2.098 11.010 1.00 0.00 C ATOM 1521 CD ARG A 104 2.167 -1.305 11.795 1.00 0.00 C ATOM 1522 NE ARG A 104 1.089 -0.833 10.916 1.00 0.00 N ATOM 1523 CZ ARG A 104 -0.082 -0.309 11.283 1.00 0.00 C ATOM 1524 NH1 ARG A 104 -0.526 -0.385 12.534 1.00 0.00 N ATOM 1525 NH2 ARG A 104 -0.819 0.303 10.373 1.00 0.00 N ATOM 0 H ARG A 104 1.247 -4.857 9.095 1.00 0.00 H new ATOM 0 HA ARG A 104 3.255 -2.871 8.527 1.00 0.00 H new ATOM 0 HB2 ARG A 104 1.570 -3.425 10.607 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.013 -4.237 11.182 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.093 -2.273 11.641 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.560 -1.512 10.155 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.749 -1.933 12.582 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.639 -0.453 12.284 1.00 0.00 H new ATOM 0 HE ARG A 104 1.254 -0.915 9.913 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.033 -0.855 13.246 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -1.426 0.026 12.782 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.490 0.368 9.410 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.717 0.710 10.634 1.00 0.00 H new ATOM 1539 N GLY A 105 5.471 -4.133 9.157 1.00 0.00 N ATOM 1540 CA GLY A 105 6.677 -4.849 9.545 1.00 0.00 C ATOM 1541 C GLY A 105 7.743 -4.921 8.456 1.00 0.00 C ATOM 1542 O GLY A 105 8.906 -5.122 8.803 1.00 0.00 O ATOM 0 H GLY A 105 5.635 -3.148 8.948 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.105 -4.367 10.424 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.405 -5.863 9.838 1.00 0.00 H new ATOM 1546 N TYR A 106 7.410 -4.743 7.177 1.00 0.00 N ATOM 1547 CA TYR A 106 8.423 -4.492 6.153 1.00 0.00 C ATOM 1548 C TYR A 106 8.790 -3.002 6.206 1.00 0.00 C ATOM 1549 O TYR A 106 7.900 -2.171 6.424 1.00 0.00 O ATOM 1550 CB TYR A 106 7.902 -4.879 4.763 1.00 0.00 C ATOM 1551 CG TYR A 106 8.022 -6.360 4.450 1.00 0.00 C ATOM 1552 CD1 TYR A 106 7.005 -7.255 4.830 1.00 0.00 C ATOM 1553 CD2 TYR A 106 9.173 -6.844 3.800 1.00 0.00 C ATOM 1554 CE1 TYR A 106 7.143 -8.629 4.563 1.00 0.00 C ATOM 1555 CE2 TYR A 106 9.308 -8.217 3.518 1.00 0.00 C ATOM 1556 CZ TYR A 106 8.291 -9.122 3.901 1.00 0.00 C ATOM 1557 OH TYR A 106 8.392 -10.451 3.599 1.00 0.00 O ATOM 0 H TYR A 106 6.452 -4.768 6.827 1.00 0.00 H new ATOM 0 HA TYR A 106 9.307 -5.101 6.344 1.00 0.00 H new ATOM 0 HB2 TYR A 106 6.856 -4.585 4.683 1.00 0.00 H new ATOM 0 HB3 TYR A 106 8.450 -4.313 4.010 1.00 0.00 H new ATOM 0 HD1 TYR A 106 6.119 -6.887 5.326 1.00 0.00 H new ATOM 0 HD2 TYR A 106 9.957 -6.158 3.516 1.00 0.00 H new ATOM 0 HE1 TYR A 106 6.365 -9.314 4.866 1.00 0.00 H new ATOM 0 HE2 TYR A 106 10.189 -8.579 3.009 1.00 0.00 H new ATOM 0 HH TYR A 106 9.244 -10.619 3.144 1.00 0.00 H new ATOM 1567 N PRO A 107 10.070 -2.635 6.028 1.00 0.00 N ATOM 1568 CA PRO A 107 10.482 -1.243 6.002 1.00 0.00 C ATOM 1569 C PRO A 107 10.066 -0.569 4.691 1.00 0.00 C ATOM 1570 O PRO A 107 9.637 -1.223 3.728 1.00 0.00 O ATOM 1571 CB PRO A 107 11.998 -1.273 6.191 1.00 0.00 C ATOM 1572 CG PRO A 107 12.402 -2.591 5.542 1.00 0.00 C ATOM 1573 CD PRO A 107 11.228 -3.506 5.890 1.00 0.00 C ATOM 0 HA PRO A 107 10.004 -0.654 6.784 1.00 0.00 H new ATOM 0 HB2 PRO A 107 12.481 -0.422 5.710 1.00 0.00 H new ATOM 0 HB3 PRO A 107 12.273 -1.242 7.245 1.00 0.00 H new ATOM 0 HG2 PRO A 107 12.532 -2.490 4.465 1.00 0.00 H new ATOM 0 HG3 PRO A 107 13.343 -2.969 5.942 1.00 0.00 H new ATOM 0 HD2 PRO A 107 11.067 -4.249 5.109 1.00 0.00 H new ATOM 0 HD3 PRO A 107 11.419 -4.052 6.814 1.00 0.00 H new ATOM 1581 N LEU A 108 10.218 0.758 4.652 1.00 0.00 N ATOM 1582 CA LEU A 108 10.092 1.547 3.428 1.00 0.00 C ATOM 1583 C LEU A 108 11.199 1.138 2.428 1.00 0.00 C ATOM 1584 O LEU A 108 12.148 0.449 2.812 1.00 0.00 O ATOM 1585 CB LEU A 108 10.140 3.048 3.800 1.00 0.00 C ATOM 1586 CG LEU A 108 8.743 3.603 4.166 1.00 0.00 C ATOM 1587 CD1 LEU A 108 8.688 4.340 5.507 1.00 0.00 C ATOM 1588 CD2 LEU A 108 8.242 4.554 3.077 1.00 0.00 C ATOM 0 H LEU A 108 10.434 1.317 5.477 1.00 0.00 H new ATOM 0 HA LEU A 108 9.139 1.357 2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.818 3.191 4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 108 10.547 3.615 2.963 1.00 0.00 H new ATOM 0 HG LEU A 108 8.105 2.723 4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.673 4.696 5.685 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.980 3.661 6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 108 9.371 5.189 5.484 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.258 4.935 3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 108 8.937 5.387 2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 108 8.173 4.019 2.130 1.00 0.00 H new ATOM 1600 N PRO A 109 11.090 1.513 1.139 1.00 0.00 N ATOM 1601 CA PRO A 109 12.132 1.250 0.141 1.00 0.00 C ATOM 1602 C PRO A 109 13.088 2.439 -0.049 1.00 0.00 C ATOM 1603 O PRO A 109 14.184 2.303 -0.600 1.00 0.00 O ATOM 1604 CB PRO A 109 11.322 1.036 -1.131 1.00 0.00 C ATOM 1605 CG PRO A 109 10.188 2.054 -1.018 1.00 0.00 C ATOM 1606 CD PRO A 109 9.913 2.086 0.489 1.00 0.00 C ATOM 0 HA PRO A 109 12.770 0.414 0.427 1.00 0.00 H new ATOM 0 HB2 PRO A 109 11.925 1.207 -2.023 1.00 0.00 H new ATOM 0 HB3 PRO A 109 10.940 0.017 -1.195 1.00 0.00 H new ATOM 0 HG2 PRO A 109 10.483 3.033 -1.397 1.00 0.00 H new ATOM 0 HG3 PRO A 109 9.309 1.745 -1.584 1.00 0.00 H new ATOM 0 HD2 PRO A 109 9.740 3.107 0.830 1.00 0.00 H new ATOM 0 HD3 PRO A 109 9.018 1.513 0.732 1.00 0.00 H new ATOM 1614 N PHE A 110 12.608 3.621 0.315 1.00 0.00 N ATOM 1615 CA PHE A 110 13.256 4.917 0.260 1.00 0.00 C ATOM 1616 C PHE A 110 13.332 5.475 1.673 1.00 0.00 C ATOM 1617 O PHE A 110 12.292 5.617 2.323 1.00 0.00 O ATOM 1618 CB PHE A 110 12.450 5.853 -0.648 1.00 0.00 C ATOM 1619 CG PHE A 110 12.846 7.314 -0.525 1.00 0.00 C ATOM 1620 CD1 PHE A 110 13.925 7.825 -1.268 1.00 0.00 C ATOM 1621 CD2 PHE A 110 12.171 8.153 0.382 1.00 0.00 C ATOM 1622 CE1 PHE A 110 14.309 9.169 -1.128 1.00 0.00 C ATOM 1623 CE2 PHE A 110 12.566 9.493 0.530 1.00 0.00 C ATOM 1624 CZ PHE A 110 13.627 10.003 -0.229 1.00 0.00 C ATOM 0 H PHE A 110 11.663 3.699 0.692 1.00 0.00 H new ATOM 0 HA PHE A 110 14.262 4.826 -0.149 1.00 0.00 H new ATOM 0 HB2 PHE A 110 12.576 5.538 -1.684 1.00 0.00 H new ATOM 0 HB3 PHE A 110 11.391 5.752 -0.411 1.00 0.00 H new ATOM 0 HD1 PHE A 110 14.461 7.181 -1.950 1.00 0.00 H new ATOM 0 HD2 PHE A 110 11.348 7.766 0.965 1.00 0.00 H new ATOM 0 HE1 PHE A 110 15.129 9.560 -1.712 1.00 0.00 H new ATOM 0 HE2 PHE A 110 12.050 10.132 1.231 1.00 0.00 H new ATOM 0 HZ PHE A 110 13.920 11.037 -0.122 1.00 0.00 H new ATOM 1634 N ASP A 111 14.524 5.866 2.112 1.00 0.00 N ATOM 1635 CA ASP A 111 14.758 6.576 3.365 1.00 0.00 C ATOM 1636 C ASP A 111 15.080 8.027 2.995 1.00 0.00 C ATOM 1637 O ASP A 111 16.009 8.248 2.207 1.00 0.00 O ATOM 1638 CB ASP A 111 15.908 5.972 4.188 1.00 0.00 C ATOM 1639 CG ASP A 111 15.841 4.453 4.296 1.00 0.00 C ATOM 1640 OD1 ASP A 111 15.041 3.943 5.117 1.00 0.00 O ATOM 1641 OD2 ASP A 111 16.485 3.782 3.451 1.00 0.00 O ATOM 0 H ASP A 111 15.382 5.692 1.588 1.00 0.00 H new ATOM 0 HA ASP A 111 13.871 6.500 3.994 1.00 0.00 H new ATOM 0 HB2 ASP A 111 16.858 6.255 3.734 1.00 0.00 H new ATOM 0 HB3 ASP A 111 15.893 6.401 5.190 1.00 0.00 H new ATOM 1646 N PRO A 112 14.320 9.021 3.483 1.00 0.00 N ATOM 1647 CA PRO A 112 14.677 10.423 3.359 1.00 0.00 C ATOM 1648 C PRO A 112 16.005 10.704 4.062 1.00 0.00 C ATOM 1649 O PRO A 112 16.932 11.201 3.423 1.00 0.00 O ATOM 1650 CB PRO A 112 13.524 11.237 3.962 1.00 0.00 C ATOM 1651 CG PRO A 112 12.380 10.244 4.151 1.00 0.00 C ATOM 1652 CD PRO A 112 13.024 8.866 4.106 1.00 0.00 C ATOM 0 HA PRO A 112 14.820 10.703 2.315 1.00 0.00 H new ATOM 0 HB2 PRO A 112 13.815 11.686 4.912 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.231 12.052 3.300 1.00 0.00 H new ATOM 0 HG2 PRO A 112 11.871 10.408 5.101 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.632 10.353 3.366 1.00 0.00 H new ATOM 0 HD2 PRO A 112 13.126 8.456 5.111 1.00 0.00 H new ATOM 0 HD3 PRO A 112 12.405 8.170 3.539 1.00 0.00 H new ATOM 1660 N GLU A 113 16.078 10.412 5.365 1.00 0.00 N ATOM 1661 CA GLU A 113 17.173 10.803 6.241 1.00 0.00 C ATOM 1662 C GLU A 113 18.473 10.107 5.828 1.00 0.00 C ATOM 1663 O GLU A 113 19.355 10.741 5.247 1.00 0.00 O ATOM 1664 CB GLU A 113 16.813 10.506 7.711 1.00 0.00 C ATOM 1665 CG GLU A 113 15.700 11.418 8.260 1.00 0.00 C ATOM 1666 CD GLU A 113 15.574 11.348 9.789 1.00 0.00 C ATOM 1667 OE1 GLU A 113 16.615 11.405 10.484 1.00 0.00 O ATOM 1668 OE2 GLU A 113 14.440 11.371 10.317 1.00 0.00 O ATOM 0 H GLU A 113 15.353 9.881 5.847 1.00 0.00 H new ATOM 0 HA GLU A 113 17.333 11.877 6.145 1.00 0.00 H new ATOM 0 HB2 GLU A 113 16.498 9.466 7.798 1.00 0.00 H new ATOM 0 HB3 GLU A 113 17.705 10.621 8.327 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.901 12.447 7.963 1.00 0.00 H new ATOM 0 HG3 GLU A 113 14.749 11.136 7.808 1.00 0.00 H new ATOM 1675 N ASP A 114 18.590 8.814 6.130 1.00 0.00 N ATOM 1676 CA ASP A 114 19.843 8.069 6.155 1.00 0.00 C ATOM 1677 C ASP A 114 19.743 6.777 5.326 1.00 0.00 C ATOM 1678 O ASP A 114 19.883 5.673 5.844 1.00 0.00 O ATOM 1679 CB ASP A 114 20.268 7.830 7.613 1.00 0.00 C ATOM 1680 CG ASP A 114 19.296 6.967 8.418 1.00 0.00 C ATOM 1681 OD1 ASP A 114 18.073 7.233 8.391 1.00 0.00 O ATOM 1682 OD2 ASP A 114 19.774 6.084 9.166 1.00 0.00 O ATOM 0 H ASP A 114 17.784 8.238 6.372 1.00 0.00 H new ATOM 0 HA ASP A 114 20.629 8.656 5.679 1.00 0.00 H new ATOM 0 HB2 ASP A 114 21.249 7.355 7.620 1.00 0.00 H new ATOM 0 HB3 ASP A 114 20.377 8.794 8.110 1.00 0.00 H new ATOM 1687 N PRO A 115 19.576 6.884 3.995 1.00 0.00 N ATOM 1688 CA PRO A 115 19.439 5.754 3.071 1.00 0.00 C ATOM 1689 C PRO A 115 20.727 4.957 2.843 1.00 0.00 C ATOM 1690 O PRO A 115 20.710 4.011 2.049 1.00 0.00 O ATOM 1691 CB PRO A 115 18.979 6.387 1.754 1.00 0.00 C ATOM 1692 CG PRO A 115 19.643 7.757 1.807 1.00 0.00 C ATOM 1693 CD PRO A 115 19.504 8.135 3.265 1.00 0.00 C ATOM 0 HA PRO A 115 18.743 5.025 3.486 1.00 0.00 H new ATOM 0 HB2 PRO A 115 19.305 5.810 0.889 1.00 0.00 H new ATOM 0 HB3 PRO A 115 17.893 6.463 1.696 1.00 0.00 H new ATOM 0 HG2 PRO A 115 20.687 7.714 1.497 1.00 0.00 H new ATOM 0 HG3 PRO A 115 19.146 8.474 1.153 1.00 0.00 H new ATOM 0 HD2 PRO A 115 20.298 8.815 3.572 1.00 0.00 H new ATOM 0 HD3 PRO A 115 18.558 8.644 3.451 1.00 0.00 H new ATOM 1701 N ALA A 116 21.826 5.369 3.476 1.00 0.00 N ATOM 1702 CA ALA A 116 23.181 4.840 3.460 1.00 0.00 C ATOM 1703 C ALA A 116 24.068 5.946 4.011 1.00 0.00 C ATOM 1704 O ALA A 116 24.629 6.720 3.232 1.00 0.00 O ATOM 1705 CB ALA A 116 23.638 4.365 2.071 1.00 0.00 C ATOM 0 H ALA A 116 21.774 6.184 4.087 1.00 0.00 H new ATOM 0 HA ALA A 116 23.240 3.939 4.071 1.00 0.00 H new ATOM 0 HB1 ALA A 116 24.657 3.983 2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 116 22.975 3.574 1.721 1.00 0.00 H new ATOM 0 HB3 ALA A 116 23.606 5.201 1.372 1.00 0.00 H new ATOM 1711 N ASN A 117 24.112 6.101 5.337 1.00 0.00 N ATOM 1712 CA ASN A 117 24.925 7.101 6.030 1.00 0.00 C ATOM 1713 C ASN A 117 25.590 6.401 7.208 1.00 0.00 C ATOM 1714 O ASN A 117 24.894 5.812 8.039 1.00 0.00 O ATOM 1715 CB ASN A 117 24.093 8.263 6.609 1.00 0.00 C ATOM 1716 CG ASN A 117 23.340 9.184 5.655 1.00 0.00 C ATOM 1717 OD1 ASN A 117 23.331 8.953 4.356 1.00 0.00 O flip ATOM 1718 ND2 ASN A 117 22.730 10.145 6.100 1.00 0.00 N flip ATOM 0 H ASN A 117 23.568 5.519 5.974 1.00 0.00 H new ATOM 0 HA ASN A 117 25.628 7.517 5.309 1.00 0.00 H new ATOM 0 HB2 ASN A 117 23.363 7.834 7.296 1.00 0.00 H new ATOM 0 HB3 ASN A 117 24.764 8.883 7.203 1.00 0.00 H new ATOM 0 HD21 ASN A 117 22.732 10.330 7.103 1.00 0.00 H new ATOM 0 HD22 ASN A 117 22.219 10.762 5.468 1.00 0.00 H new ATOM 1725 N SER A 118 26.914 6.494 7.322 1.00 0.00 N ATOM 1726 CA SER A 118 27.630 5.964 8.471 1.00 0.00 C ATOM 1727 C SER A 118 28.768 6.901 8.871 1.00 0.00 C ATOM 1728 O SER A 118 29.284 7.660 8.046 1.00 0.00 O ATOM 1729 CB SER A 118 28.093 4.536 8.157 1.00 0.00 C ATOM 1730 OG SER A 118 28.875 4.444 6.978 1.00 0.00 O ATOM 0 H SER A 118 27.512 6.936 6.624 1.00 0.00 H new ATOM 0 HA SER A 118 26.973 5.908 9.339 1.00 0.00 H new ATOM 0 HB2 SER A 118 28.672 4.156 8.999 1.00 0.00 H new ATOM 0 HB3 SER A 118 27.219 3.893 8.056 1.00 0.00 H new ATOM 0 HG SER A 118 29.140 3.512 6.833 1.00 0.00 H new ATOM 1736 N GLY A 119 29.171 6.837 10.138 1.00 0.00 N ATOM 1737 CA GLY A 119 30.262 7.607 10.703 1.00 0.00 C ATOM 1738 C GLY A 119 31.487 6.710 10.856 1.00 0.00 C ATOM 1739 O GLY A 119 31.508 5.919 11.804 1.00 0.00 O ATOM 0 H GLY A 119 28.726 6.223 10.820 1.00 0.00 H new ATOM 0 HA2 GLY A 119 30.496 8.454 10.059 1.00 0.00 H new ATOM 0 HA3 GLY A 119 29.972 8.014 11.672 1.00 0.00 H new ATOM 1743 N PRO A 120 32.484 6.777 9.956 1.00 0.00 N ATOM 1744 CA PRO A 120 33.756 6.094 10.157 1.00 0.00 C ATOM 1745 C PRO A 120 34.522 6.726 11.329 1.00 0.00 C ATOM 1746 O PRO A 120 34.184 7.812 11.806 1.00 0.00 O ATOM 1747 CB PRO A 120 34.505 6.241 8.826 1.00 0.00 C ATOM 1748 CG PRO A 120 33.980 7.565 8.276 1.00 0.00 C ATOM 1749 CD PRO A 120 32.525 7.581 8.742 1.00 0.00 C ATOM 0 HA PRO A 120 33.633 5.043 10.418 1.00 0.00 H new ATOM 0 HB2 PRO A 120 35.585 6.265 8.972 1.00 0.00 H new ATOM 0 HB3 PRO A 120 34.293 5.412 8.151 1.00 0.00 H new ATOM 0 HG2 PRO A 120 34.539 8.415 8.669 1.00 0.00 H new ATOM 0 HG3 PRO A 120 34.056 7.609 7.190 1.00 0.00 H new ATOM 0 HD2 PRO A 120 32.189 8.599 8.937 1.00 0.00 H new ATOM 0 HD3 PRO A 120 31.866 7.168 7.978 1.00 0.00 H new ATOM 1757 N SER A 121 35.585 6.059 11.775 1.00 0.00 N ATOM 1758 CA SER A 121 36.479 6.531 12.815 1.00 0.00 C ATOM 1759 C SER A 121 37.848 5.957 12.473 1.00 0.00 C ATOM 1760 O SER A 121 37.979 4.737 12.381 1.00 0.00 O ATOM 1761 CB SER A 121 35.957 6.060 14.179 1.00 0.00 C ATOM 1762 OG SER A 121 36.776 6.517 15.238 1.00 0.00 O ATOM 0 H SER A 121 35.851 5.146 11.406 1.00 0.00 H new ATOM 0 HA SER A 121 36.541 7.618 12.872 1.00 0.00 H new ATOM 0 HB2 SER A 121 34.939 6.422 14.324 1.00 0.00 H new ATOM 0 HB3 SER A 121 35.914 4.971 14.196 1.00 0.00 H new ATOM 0 HG SER A 121 36.414 6.200 16.092 1.00 0.00 H new ATOM 1768 N SER A 122 38.839 6.833 12.290 1.00 0.00 N ATOM 1769 CA SER A 122 40.112 6.531 11.641 1.00 0.00 C ATOM 1770 C SER A 122 39.899 6.162 10.163 1.00 0.00 C ATOM 1771 O SER A 122 38.773 6.143 9.655 1.00 0.00 O ATOM 1772 CB SER A 122 40.883 5.452 12.432 1.00 0.00 C ATOM 1773 OG SER A 122 42.281 5.555 12.237 1.00 0.00 O ATOM 0 H SER A 122 38.773 7.802 12.600 1.00 0.00 H new ATOM 0 HA SER A 122 40.736 7.425 11.646 1.00 0.00 H new ATOM 0 HB2 SER A 122 40.656 5.548 13.494 1.00 0.00 H new ATOM 0 HB3 SER A 122 40.545 4.463 12.122 1.00 0.00 H new ATOM 0 HG SER A 122 42.534 5.075 11.421 1.00 0.00 H new ATOM 1779 N GLY A 123 41.010 5.916 9.478 1.00 0.00 N ATOM 1780 CA GLY A 123 41.139 4.890 8.463 1.00 0.00 C ATOM 1781 C GLY A 123 42.232 3.944 8.948 1.00 0.00 C ATOM 1782 O GLY A 123 42.708 4.155 10.093 1.00 0.00 O ATOM 0 H GLY A 123 41.870 6.445 9.622 1.00 0.00 H new ATOM 0 HA2 GLY A 123 40.197 4.358 8.326 1.00 0.00 H new ATOM 0 HA3 GLY A 123 41.402 5.327 7.500 1.00 0.00 H new TER 1786 GLY A 123