USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 766 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 HIS : no HE2:sc= -2.34! X(o=-4.9!,f=-5.2) USER MOD Set 1.2: A 68 HIS :FLIP no HD1:sc= -2.56 F(o=-6.4,f=-4.9) USER MOD Set 2.1: A 8 MET CE :methyl -130:sc= -0.387 (180deg=-1.78!) USER MOD Set 2.2: A 52 THR OG1 : rot 151:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -103:sc= 0.0706 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 16:sc= 0.331 USER MOD Single : A 5 SER OG : rot -8:sc= 0.365 USER MOD Single : A 6 SER OG : rot 101:sc= 0.361 USER MOD Single : A 13 ASN : amide:sc= -0.331 K(o=-0.33,f=-2.5!) USER MOD Single : A 16 HIS :FLIP no HD1:sc= -1.47 F(o=-3.7!,f=-1.5) USER MOD Single : A 17 GLN : amide:sc= -0.0885 K(o=-0.089,f=-2.1!) USER MOD Single : A 18 GLN : amide:sc= -2.44 X(o=-2.4,f=-2.7) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.297 USER MOD Single : A 37 CYS SG : rot 100:sc= 0.689 USER MOD Single : A 40 LYS NZ :NH3+ -107:sc= -0.0762 (180deg=-0.655) USER MOD Single : A 42 THR OG1 : rot -10:sc= 0.395 USER MOD Single : A 43 THR OG1 : rot 77:sc= 0.298 USER MOD Single : A 44 TYR OH : rot 165:sc= -0.0569 USER MOD Single : A 46 SER OG : rot -27:sc= 0.119 USER MOD Single : A 49 MET CE :methyl 151:sc= -4.44! (180deg=-6.26!) USER MOD Single : A 50 LYS NZ :NH3+ -168:sc= -0.0047 (180deg=-0.131) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -4.13 K(o=-4.1,f=-5.1!) USER MOD Single : A 60 SER OG : rot 72:sc= 0.0339 USER MOD Single : A 64 GLN : amide:sc= -0.254 K(o=-0.25,f=-1.5) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0912 USER MOD Single : A 69 MET CE :methyl -164:sc= -1.87 (180deg=-2.59!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.629 X(o=-0.63,f=-0.63) USER MOD Single : A 76 GLN : amide:sc=-0.00166 X(o=-0.0017,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 172:sc= -2.09 (180deg=-2.15) USER MOD Single : A 83 LYS NZ :NH3+ 153:sc= -0.259 (180deg=-1.2) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.543 17.497 13.708 1.00 0.00 N ATOM 2 CA GLY A 1 1.097 17.422 13.605 1.00 0.00 C ATOM 3 C GLY A 1 0.486 18.711 13.091 1.00 0.00 C ATOM 4 O GLY A 1 1.126 19.762 13.113 1.00 0.00 O ATOM 0 H1 GLY A 1 2.975 16.988 12.910 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.841 18.493 13.685 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.850 17.064 14.602 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.825 16.603 12.939 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.677 17.189 14.584 1.00 0.00 H new ATOM 8 N SER A 2 -0.757 18.630 12.626 1.00 0.00 N ATOM 9 CA SER A 2 -1.453 19.798 12.099 1.00 0.00 C ATOM 10 C SER A 2 -2.541 20.263 13.063 1.00 0.00 C ATOM 11 O SER A 2 -2.976 19.510 13.934 1.00 0.00 O ATOM 12 CB SER A 2 -2.067 19.480 10.734 1.00 0.00 C ATOM 13 OG SER A 2 -2.982 18.402 10.826 1.00 0.00 O ATOM 0 H SER A 2 -1.302 17.768 12.604 1.00 0.00 H new ATOM 0 HA SER A 2 -0.726 20.602 11.984 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.577 20.362 10.347 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.277 19.231 10.025 1.00 0.00 H new ATOM 0 HG SER A 2 -3.362 18.219 9.941 1.00 0.00 H new ATOM 19 N SER A 3 -2.976 21.508 12.899 1.00 0.00 N ATOM 20 CA SER A 3 -4.011 22.075 13.755 1.00 0.00 C ATOM 21 C SER A 3 -5.265 22.401 12.950 1.00 0.00 C ATOM 22 O SER A 3 -5.202 23.095 11.936 1.00 0.00 O ATOM 23 CB SER A 3 -3.493 23.338 14.448 1.00 0.00 C ATOM 24 OG SER A 3 -3.287 24.384 13.514 1.00 0.00 O ATOM 0 H SER A 3 -2.628 22.143 12.181 1.00 0.00 H new ATOM 0 HA SER A 3 -4.269 21.333 14.511 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.207 23.659 15.207 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.558 23.117 14.963 1.00 0.00 H new ATOM 0 HG SER A 3 -3.751 24.172 12.677 1.00 0.00 H new ATOM 30 N GLY A 4 -6.405 21.894 13.410 1.00 0.00 N ATOM 31 CA GLY A 4 -7.658 22.142 12.722 1.00 0.00 C ATOM 32 C GLY A 4 -7.657 21.604 11.305 1.00 0.00 C ATOM 33 O GLY A 4 -7.990 22.320 10.361 1.00 0.00 O ATOM 0 H GLY A 4 -6.483 21.316 14.247 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.473 21.683 13.281 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.851 23.215 12.700 1.00 0.00 H new ATOM 37 N SER A 5 -7.278 20.338 11.154 1.00 0.00 N ATOM 38 CA SER A 5 -7.230 19.706 9.841 1.00 0.00 C ATOM 39 C SER A 5 -6.662 20.664 8.797 1.00 0.00 C ATOM 40 O SER A 5 -7.160 20.742 7.674 1.00 0.00 O ATOM 41 CB SER A 5 -8.627 19.246 9.420 1.00 0.00 C ATOM 42 OG SER A 5 -9.487 20.353 9.211 1.00 0.00 O ATOM 0 H SER A 5 -7.000 19.731 11.925 1.00 0.00 H new ATOM 0 HA SER A 5 -6.575 18.838 9.908 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.559 18.657 8.506 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.046 18.596 10.188 1.00 0.00 H new ATOM 0 HG SER A 5 -9.043 21.174 9.510 1.00 0.00 H new ATOM 48 N SER A 6 -5.617 21.392 9.178 1.00 0.00 N ATOM 49 CA SER A 6 -4.983 22.348 8.278 1.00 0.00 C ATOM 50 C SER A 6 -3.726 21.754 7.651 1.00 0.00 C ATOM 51 O SER A 6 -2.840 21.268 8.352 1.00 0.00 O ATOM 52 CB SER A 6 -4.633 23.634 9.030 1.00 0.00 C ATOM 53 OG SER A 6 -5.803 24.337 9.411 1.00 0.00 O ATOM 0 H SER A 6 -5.192 21.338 10.104 1.00 0.00 H new ATOM 0 HA SER A 6 -5.689 22.582 7.481 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.046 23.392 9.916 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.012 24.270 8.399 1.00 0.00 H new ATOM 0 HG SER A 6 -5.995 24.164 10.356 1.00 0.00 H new ATOM 59 N GLY A 7 -3.657 21.796 6.324 1.00 0.00 N ATOM 60 CA GLY A 7 -2.505 21.259 5.624 1.00 0.00 C ATOM 61 C GLY A 7 -2.768 21.057 4.145 1.00 0.00 C ATOM 62 O GLY A 7 -3.352 21.919 3.488 1.00 0.00 O ATOM 0 H GLY A 7 -4.378 22.192 5.721 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.659 21.935 5.751 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.222 20.307 6.073 1.00 0.00 H new ATOM 66 N MET A 8 -2.335 19.916 3.618 1.00 0.00 N ATOM 67 CA MET A 8 -2.526 19.605 2.206 1.00 0.00 C ATOM 68 C MET A 8 -3.618 18.555 2.025 1.00 0.00 C ATOM 69 O MET A 8 -3.451 17.597 1.272 1.00 0.00 O ATOM 70 CB MET A 8 -1.218 19.108 1.589 1.00 0.00 C ATOM 71 CG MET A 8 -0.309 20.227 1.108 1.00 0.00 C ATOM 72 SD MET A 8 -0.862 20.950 -0.449 1.00 0.00 S ATOM 73 CE MET A 8 0.497 20.507 -1.528 1.00 0.00 C ATOM 0 H MET A 8 -1.850 19.192 4.147 1.00 0.00 H new ATOM 0 HA MET A 8 -2.835 20.518 1.697 1.00 0.00 H new ATOM 0 HB2 MET A 8 -0.683 18.508 2.325 1.00 0.00 H new ATOM 0 HB3 MET A 8 -1.448 18.452 0.750 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.263 21.005 1.870 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.703 19.841 0.986 1.00 0.00 H new ATOM 0 HE1 MET A 8 0.836 21.391 -2.068 1.00 0.00 H new ATOM 0 HE2 MET A 8 1.319 20.108 -0.933 1.00 0.00 H new ATOM 0 HE3 MET A 8 0.165 19.752 -2.240 1.00 0.00 H new ATOM 83 N GLU A 9 -4.736 18.744 2.719 1.00 0.00 N ATOM 84 CA GLU A 9 -5.854 17.812 2.634 1.00 0.00 C ATOM 85 C GLU A 9 -6.142 17.438 1.183 1.00 0.00 C ATOM 86 O GLU A 9 -6.750 16.406 0.905 1.00 0.00 O ATOM 87 CB GLU A 9 -7.104 18.421 3.273 1.00 0.00 C ATOM 88 CG GLU A 9 -8.036 17.392 3.889 1.00 0.00 C ATOM 89 CD GLU A 9 -9.480 17.854 3.917 1.00 0.00 C ATOM 90 OE1 GLU A 9 -9.737 18.966 4.425 1.00 0.00 O ATOM 91 OE2 GLU A 9 -10.353 17.105 3.431 1.00 0.00 O ATOM 0 H GLU A 9 -4.891 19.534 3.346 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.581 16.907 3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.799 19.130 4.043 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.649 18.986 2.517 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.967 16.462 3.325 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.709 17.174 4.906 1.00 0.00 H new ATOM 98 N GLY A 10 -5.699 18.288 0.260 1.00 0.00 N ATOM 99 CA GLY A 10 -5.918 18.030 -1.151 1.00 0.00 C ATOM 100 C GLY A 10 -5.361 16.690 -1.589 1.00 0.00 C ATOM 101 O GLY A 10 -6.073 15.687 -1.646 1.00 0.00 O ATOM 0 H GLY A 10 -5.193 19.150 0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.987 18.062 -1.361 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.454 18.822 -1.738 1.00 0.00 H new ATOM 105 N PRO A 11 -4.059 16.663 -1.910 1.00 0.00 N ATOM 106 CA PRO A 11 -3.379 15.442 -2.352 1.00 0.00 C ATOM 107 C PRO A 11 -3.224 14.424 -1.227 1.00 0.00 C ATOM 108 O PRO A 11 -2.932 13.253 -1.471 1.00 0.00 O ATOM 109 CB PRO A 11 -2.008 15.946 -2.809 1.00 0.00 C ATOM 110 CG PRO A 11 -1.791 17.204 -2.041 1.00 0.00 C ATOM 111 CD PRO A 11 -3.151 17.821 -1.865 1.00 0.00 C ATOM 0 HA PRO A 11 -3.939 14.923 -3.130 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.227 15.215 -2.599 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.992 16.130 -3.883 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.328 16.997 -1.076 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.123 17.878 -2.577 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.230 18.357 -0.919 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.373 18.537 -2.656 1.00 0.00 H new ATOM 119 N LEU A 12 -3.421 14.878 0.006 1.00 0.00 N ATOM 120 CA LEU A 12 -3.304 14.007 1.170 1.00 0.00 C ATOM 121 C LEU A 12 -4.473 13.029 1.238 1.00 0.00 C ATOM 122 O LEU A 12 -4.292 11.820 1.099 1.00 0.00 O ATOM 123 CB LEU A 12 -3.245 14.840 2.452 1.00 0.00 C ATOM 124 CG LEU A 12 -1.884 15.446 2.797 1.00 0.00 C ATOM 125 CD1 LEU A 12 -2.026 16.483 3.900 1.00 0.00 C ATOM 126 CD2 LEU A 12 -0.904 14.357 3.208 1.00 0.00 C ATOM 0 H LEU A 12 -3.663 15.844 0.225 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.381 13.435 1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.970 15.650 2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.562 14.212 3.284 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.493 15.942 1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.048 16.903 4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.693 17.278 3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.439 16.012 4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.059 14.807 3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.289 13.832 4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.779 13.651 2.387 1.00 0.00 H new ATOM 138 N ASN A 13 -5.671 13.562 1.452 1.00 0.00 N ATOM 139 CA ASN A 13 -6.871 12.737 1.536 1.00 0.00 C ATOM 140 C ASN A 13 -6.900 11.703 0.415 1.00 0.00 C ATOM 141 O ASN A 13 -6.965 10.499 0.667 1.00 0.00 O ATOM 142 CB ASN A 13 -8.123 13.613 1.471 1.00 0.00 C ATOM 143 CG ASN A 13 -9.377 12.859 1.870 1.00 0.00 C ATOM 144 OD1 ASN A 13 -9.455 11.639 1.724 1.00 0.00 O ATOM 145 ND2 ASN A 13 -10.368 13.585 2.376 1.00 0.00 N ATOM 0 H ASN A 13 -5.837 14.561 1.570 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.854 12.211 2.490 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.995 14.474 2.127 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.241 13.999 0.458 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.237 13.133 2.661 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.260 14.594 2.479 1.00 0.00 H new ATOM 152 N LEU A 14 -6.851 12.181 -0.824 1.00 0.00 N ATOM 153 CA LEU A 14 -6.872 11.298 -1.985 1.00 0.00 C ATOM 154 C LEU A 14 -5.930 10.115 -1.787 1.00 0.00 C ATOM 155 O LEU A 14 -6.293 8.969 -2.051 1.00 0.00 O ATOM 156 CB LEU A 14 -6.478 12.072 -3.245 1.00 0.00 C ATOM 157 CG LEU A 14 -7.546 13.001 -3.823 1.00 0.00 C ATOM 158 CD1 LEU A 14 -6.909 14.057 -4.714 1.00 0.00 C ATOM 159 CD2 LEU A 14 -8.585 12.203 -4.597 1.00 0.00 C ATOM 0 H LEU A 14 -6.797 13.174 -1.050 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.886 10.916 -2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.592 12.665 -3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.194 11.354 -4.015 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.047 13.506 -2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.684 14.709 -5.117 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.204 14.649 -4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.382 13.571 -5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.337 12.881 -5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.100 11.670 -5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.064 11.486 -3.930 1.00 0.00 H new ATOM 171 N ALA A 15 -4.720 10.400 -1.317 1.00 0.00 N ATOM 172 CA ALA A 15 -3.728 9.359 -1.079 1.00 0.00 C ATOM 173 C ALA A 15 -4.210 8.374 -0.020 1.00 0.00 C ATOM 174 O ALA A 15 -3.968 7.170 -0.121 1.00 0.00 O ATOM 175 CB ALA A 15 -2.403 9.979 -0.661 1.00 0.00 C ATOM 0 H ALA A 15 -4.403 11.343 -1.094 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.583 8.810 -2.009 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.671 9.190 -0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.044 10.638 -1.451 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.543 10.553 0.255 1.00 0.00 H new ATOM 181 N HIS A 16 -4.893 8.891 0.997 1.00 0.00 N ATOM 182 CA HIS A 16 -5.409 8.055 2.075 1.00 0.00 C ATOM 183 C HIS A 16 -6.495 7.115 1.561 1.00 0.00 C ATOM 184 O HIS A 16 -6.509 5.930 1.892 1.00 0.00 O ATOM 185 CB HIS A 16 -5.964 8.926 3.202 1.00 0.00 C ATOM 186 CG HIS A 16 -4.971 9.907 3.746 1.00 0.00 C ATOM 187 ND1 HIS A 16 -3.810 10.372 3.227 1.00 0.00 N flip ATOM 188 CD2 HIS A 16 -5.118 10.529 4.968 1.00 0.00 C flip ATOM 189 CE1 HIS A 16 -3.284 11.257 4.135 1.00 0.00 C flip ATOM 190 NE2 HIS A 16 -4.092 11.334 5.176 1.00 0.00 N flip ATOM 0 H HIS A 16 -5.102 9.884 1.097 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.586 7.454 2.462 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -6.835 9.469 2.835 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.308 8.282 4.012 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.943 10.381 5.649 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -2.359 11.802 4.017 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -3.948 11.916 6.001 1.00 0.00 H new ATOM 199 N GLN A 17 -7.402 7.652 0.752 1.00 0.00 N ATOM 200 CA GLN A 17 -8.492 6.861 0.195 1.00 0.00 C ATOM 201 C GLN A 17 -7.996 5.491 -0.256 1.00 0.00 C ATOM 202 O GLN A 17 -8.455 4.461 0.237 1.00 0.00 O ATOM 203 CB GLN A 17 -9.134 7.596 -0.983 1.00 0.00 C ATOM 204 CG GLN A 17 -9.960 8.803 -0.570 1.00 0.00 C ATOM 205 CD GLN A 17 -11.060 9.126 -1.562 1.00 0.00 C ATOM 206 OE1 GLN A 17 -11.271 8.396 -2.531 1.00 0.00 O ATOM 207 NE2 GLN A 17 -11.768 10.224 -1.325 1.00 0.00 N ATOM 0 H GLN A 17 -7.403 8.632 0.468 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.239 6.718 0.976 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.351 7.920 -1.669 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.770 6.901 -1.531 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.402 8.618 0.409 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.305 9.668 -0.466 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.559 10.800 -0.509 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -12.521 10.492 -1.958 1.00 0.00 H new ATOM 216 N GLN A 18 -7.055 5.487 -1.195 1.00 0.00 N ATOM 217 CA GLN A 18 -6.497 4.243 -1.712 1.00 0.00 C ATOM 218 C GLN A 18 -5.664 3.536 -0.647 1.00 0.00 C ATOM 219 O GLN A 18 -5.752 2.320 -0.484 1.00 0.00 O ATOM 220 CB GLN A 18 -5.638 4.519 -2.947 1.00 0.00 C ATOM 221 CG GLN A 18 -4.455 5.434 -2.674 1.00 0.00 C ATOM 222 CD GLN A 18 -3.695 5.797 -3.935 1.00 0.00 C ATOM 223 OE1 GLN A 18 -3.238 6.929 -4.093 1.00 0.00 O ATOM 224 NE2 GLN A 18 -3.555 4.835 -4.840 1.00 0.00 N ATOM 0 H GLN A 18 -6.663 6.331 -1.613 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.325 3.592 -1.992 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.270 3.572 -3.342 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.262 4.967 -3.720 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.809 6.346 -2.193 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.777 4.946 -1.973 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.950 3.911 -4.667 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.052 5.020 -5.708 1.00 0.00 H new ATOM 233 N SER A 19 -4.856 4.307 0.074 1.00 0.00 N ATOM 234 CA SER A 19 -4.005 3.754 1.120 1.00 0.00 C ATOM 235 C SER A 19 -4.759 2.711 1.940 1.00 0.00 C ATOM 236 O SER A 19 -4.154 1.831 2.552 1.00 0.00 O ATOM 237 CB SER A 19 -3.496 4.869 2.036 1.00 0.00 C ATOM 238 OG SER A 19 -2.585 4.364 2.997 1.00 0.00 O ATOM 0 H SER A 19 -4.773 5.316 -0.047 1.00 0.00 H new ATOM 0 HA SER A 19 -3.154 3.269 0.642 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.009 5.640 1.439 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.338 5.341 2.542 1.00 0.00 H new ATOM 0 HG SER A 19 -2.273 5.096 3.569 1.00 0.00 H new ATOM 244 N ARG A 20 -6.083 2.818 1.946 1.00 0.00 N ATOM 245 CA ARG A 20 -6.921 1.886 2.691 1.00 0.00 C ATOM 246 C ARG A 20 -7.076 0.570 1.934 1.00 0.00 C ATOM 247 O ARG A 20 -7.027 -0.508 2.527 1.00 0.00 O ATOM 248 CB ARG A 20 -8.297 2.501 2.953 1.00 0.00 C ATOM 249 CG ARG A 20 -8.282 3.607 3.995 1.00 0.00 C ATOM 250 CD ARG A 20 -7.974 3.062 5.381 1.00 0.00 C ATOM 251 NE ARG A 20 -8.552 3.891 6.436 1.00 0.00 N ATOM 252 CZ ARG A 20 -8.142 3.864 7.699 1.00 0.00 C ATOM 253 NH1 ARG A 20 -7.157 3.054 8.063 1.00 0.00 N ATOM 254 NH2 ARG A 20 -8.717 4.648 8.601 1.00 0.00 N ATOM 0 H ARG A 20 -6.599 3.540 1.444 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.434 1.682 3.645 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.691 2.900 2.018 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.980 1.716 3.278 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.537 4.355 3.723 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.249 4.110 4.007 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.361 2.046 5.465 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.894 3.004 5.516 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.312 4.525 6.189 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.712 2.450 7.372 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.844 3.035 9.034 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.475 5.272 8.325 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.401 4.627 9.571 1.00 0.00 H new ATOM 268 N ARG A 21 -7.262 0.666 0.622 1.00 0.00 N ATOM 269 CA ARG A 21 -7.426 -0.516 -0.215 1.00 0.00 C ATOM 270 C ARG A 21 -6.269 -1.490 -0.012 1.00 0.00 C ATOM 271 O ARG A 21 -6.479 -2.687 0.183 1.00 0.00 O ATOM 272 CB ARG A 21 -7.516 -0.115 -1.689 1.00 0.00 C ATOM 273 CG ARG A 21 -7.313 -1.275 -2.649 1.00 0.00 C ATOM 274 CD ARG A 21 -7.275 -0.803 -4.094 1.00 0.00 C ATOM 275 NE ARG A 21 -7.227 -1.919 -5.034 1.00 0.00 N ATOM 276 CZ ARG A 21 -8.287 -2.648 -5.364 1.00 0.00 C ATOM 277 NH1 ARG A 21 -9.472 -2.380 -4.832 1.00 0.00 N ATOM 278 NH2 ARG A 21 -8.164 -3.648 -6.227 1.00 0.00 N ATOM 0 H ARG A 21 -7.303 1.550 0.115 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.352 -1.012 0.077 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.492 0.334 -1.876 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.768 0.651 -1.895 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.382 -1.789 -2.409 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.118 -1.998 -2.523 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.155 -0.194 -4.299 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.404 -0.165 -4.244 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.330 -2.152 -5.461 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.571 -1.612 -4.168 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.284 -2.941 -5.087 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.254 -3.858 -6.638 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.979 -4.207 -6.479 1.00 0.00 H new ATOM 292 N ALA A 22 -5.047 -0.969 -0.060 1.00 0.00 N ATOM 293 CA ALA A 22 -3.858 -1.792 0.120 1.00 0.00 C ATOM 294 C ALA A 22 -3.974 -2.659 1.368 1.00 0.00 C ATOM 295 O ALA A 22 -3.450 -3.772 1.413 1.00 0.00 O ATOM 296 CB ALA A 22 -2.617 -0.915 0.198 1.00 0.00 C ATOM 0 H ALA A 22 -4.855 0.020 -0.222 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.770 -2.453 -0.742 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.736 -1.542 0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.517 -0.343 -0.724 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.707 -0.231 1.042 1.00 0.00 H new ATOM 302 N ASP A 23 -4.663 -2.143 2.380 1.00 0.00 N ATOM 303 CA ASP A 23 -4.849 -2.872 3.629 1.00 0.00 C ATOM 304 C ASP A 23 -5.866 -3.995 3.457 1.00 0.00 C ATOM 305 O ASP A 23 -5.586 -5.153 3.771 1.00 0.00 O ATOM 306 CB ASP A 23 -5.304 -1.920 4.736 1.00 0.00 C ATOM 307 CG ASP A 23 -5.131 -2.516 6.120 1.00 0.00 C ATOM 308 OD1 ASP A 23 -5.813 -3.516 6.424 1.00 0.00 O ATOM 309 OD2 ASP A 23 -4.314 -1.981 6.898 1.00 0.00 O ATOM 0 H ASP A 23 -5.102 -1.223 2.360 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.893 -3.313 3.910 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.736 -0.992 4.670 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.352 -1.664 4.582 1.00 0.00 H new ATOM 314 N ARG A 24 -7.047 -3.646 2.959 1.00 0.00 N ATOM 315 CA ARG A 24 -8.107 -4.625 2.747 1.00 0.00 C ATOM 316 C ARG A 24 -7.598 -5.809 1.930 1.00 0.00 C ATOM 317 O ARG A 24 -7.933 -6.961 2.211 1.00 0.00 O ATOM 318 CB ARG A 24 -9.296 -3.975 2.038 1.00 0.00 C ATOM 319 CG ARG A 24 -9.949 -2.861 2.840 1.00 0.00 C ATOM 320 CD ARG A 24 -10.962 -3.408 3.832 1.00 0.00 C ATOM 321 NE ARG A 24 -11.759 -2.347 4.442 1.00 0.00 N ATOM 322 CZ ARG A 24 -11.275 -1.476 5.320 1.00 0.00 C ATOM 323 NH1 ARG A 24 -10.003 -1.539 5.688 1.00 0.00 N ATOM 324 NH2 ARG A 24 -12.063 -0.538 5.830 1.00 0.00 N ATOM 0 H ARG A 24 -7.295 -2.692 2.695 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.430 -4.991 3.722 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.963 -3.575 1.081 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.041 -4.740 1.821 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.183 -2.298 3.374 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.442 -2.164 2.162 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.622 -4.111 3.325 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.442 -3.964 4.612 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.742 -2.271 4.179 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.394 -2.257 5.297 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.633 -0.869 6.362 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.042 -0.485 5.548 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.690 0.130 6.504 1.00 0.00 H new ATOM 338 N LEU A 25 -6.789 -5.518 0.918 1.00 0.00 N ATOM 339 CA LEU A 25 -6.234 -6.558 0.059 1.00 0.00 C ATOM 340 C LEU A 25 -5.287 -7.463 0.841 1.00 0.00 C ATOM 341 O LEU A 25 -5.355 -8.689 0.736 1.00 0.00 O ATOM 342 CB LEU A 25 -5.495 -5.930 -1.124 1.00 0.00 C ATOM 343 CG LEU A 25 -6.374 -5.375 -2.246 1.00 0.00 C ATOM 344 CD1 LEU A 25 -5.648 -4.268 -2.995 1.00 0.00 C ATOM 345 CD2 LEU A 25 -6.784 -6.487 -3.201 1.00 0.00 C ATOM 0 H LEU A 25 -6.503 -4.570 0.672 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.060 -7.163 -0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.868 -5.122 -0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.828 -6.680 -1.549 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.275 -4.954 -1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.289 -3.885 -3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.405 -3.460 -2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.730 -4.664 -3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.409 -6.074 -3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.893 -6.937 -3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.344 -7.247 -2.656 1.00 0.00 H new ATOM 357 N LEU A 26 -4.407 -6.852 1.626 1.00 0.00 N ATOM 358 CA LEU A 26 -3.447 -7.603 2.429 1.00 0.00 C ATOM 359 C LEU A 26 -4.143 -8.709 3.215 1.00 0.00 C ATOM 360 O LEU A 26 -3.708 -9.860 3.203 1.00 0.00 O ATOM 361 CB LEU A 26 -2.711 -6.665 3.387 1.00 0.00 C ATOM 362 CG LEU A 26 -2.096 -7.319 4.625 1.00 0.00 C ATOM 363 CD1 LEU A 26 -0.966 -8.255 4.229 1.00 0.00 C ATOM 364 CD2 LEU A 26 -1.597 -6.258 5.596 1.00 0.00 C ATOM 0 H LEU A 26 -4.338 -5.839 1.724 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.725 -8.062 1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.917 -6.162 2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.408 -5.894 3.716 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.868 -7.906 5.123 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.541 -8.711 5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.353 -9.035 3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.193 -7.691 3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.163 -6.741 6.471 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.840 -5.644 5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.430 -5.628 5.906 1.00 0.00 H new ATOM 376 N ALA A 27 -5.227 -8.352 3.896 1.00 0.00 N ATOM 377 CA ALA A 27 -5.985 -9.315 4.685 1.00 0.00 C ATOM 378 C ALA A 27 -6.406 -10.509 3.836 1.00 0.00 C ATOM 379 O ALA A 27 -6.369 -11.651 4.293 1.00 0.00 O ATOM 380 CB ALA A 27 -7.205 -8.647 5.303 1.00 0.00 C ATOM 0 H ALA A 27 -5.600 -7.403 3.917 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.341 -9.680 5.485 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.762 -9.378 5.889 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.884 -7.831 5.950 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.844 -8.253 4.512 1.00 0.00 H new ATOM 386 N ALA A 28 -6.807 -10.238 2.598 1.00 0.00 N ATOM 387 CA ALA A 28 -7.234 -11.290 1.685 1.00 0.00 C ATOM 388 C ALA A 28 -6.039 -12.077 1.157 1.00 0.00 C ATOM 389 O ALA A 28 -6.200 -13.041 0.409 1.00 0.00 O ATOM 390 CB ALA A 28 -8.030 -10.698 0.531 1.00 0.00 C ATOM 0 H ALA A 28 -6.845 -9.298 2.205 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.874 -11.978 2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.342 -11.496 -0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.910 -10.187 0.921 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.408 -9.987 -0.013 1.00 0.00 H new ATOM 396 N GLY A 29 -4.840 -11.659 1.551 1.00 0.00 N ATOM 397 CA GLY A 29 -3.636 -12.336 1.106 1.00 0.00 C ATOM 398 C GLY A 29 -3.145 -11.825 -0.234 1.00 0.00 C ATOM 399 O GLY A 29 -2.265 -12.425 -0.851 1.00 0.00 O ATOM 0 H GLY A 29 -4.681 -10.864 2.170 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.852 -12.203 1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.830 -13.406 1.034 1.00 0.00 H new ATOM 403 N LYS A 30 -3.716 -10.715 -0.688 1.00 0.00 N ATOM 404 CA LYS A 30 -3.333 -10.123 -1.964 1.00 0.00 C ATOM 405 C LYS A 30 -2.230 -9.087 -1.774 1.00 0.00 C ATOM 406 O LYS A 30 -2.326 -7.965 -2.272 1.00 0.00 O ATOM 407 CB LYS A 30 -4.547 -9.474 -2.634 1.00 0.00 C ATOM 408 CG LYS A 30 -5.732 -10.412 -2.783 1.00 0.00 C ATOM 409 CD LYS A 30 -5.691 -11.157 -4.107 1.00 0.00 C ATOM 410 CE LYS A 30 -7.086 -11.541 -4.574 1.00 0.00 C ATOM 411 NZ LYS A 30 -7.050 -12.624 -5.596 1.00 0.00 N ATOM 0 H LYS A 30 -4.447 -10.206 -0.190 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.954 -10.918 -2.605 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.853 -8.606 -2.050 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.256 -9.110 -3.619 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.736 -11.128 -1.961 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.659 -9.843 -2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.212 -10.533 -4.862 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.081 -12.055 -4.002 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.678 -11.868 -3.719 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.584 -10.665 -4.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.020 -12.857 -5.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.506 -12.303 -6.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.598 -13.469 -5.191 1.00 0.00 H new ATOM 425 N TYR A 31 -1.183 -9.470 -1.052 1.00 0.00 N ATOM 426 CA TYR A 31 -0.062 -8.574 -0.796 1.00 0.00 C ATOM 427 C TYR A 31 0.278 -7.757 -2.039 1.00 0.00 C ATOM 428 O TYR A 31 0.158 -6.532 -2.041 1.00 0.00 O ATOM 429 CB TYR A 31 1.163 -9.371 -0.345 1.00 0.00 C ATOM 430 CG TYR A 31 0.919 -10.209 0.890 1.00 0.00 C ATOM 431 CD1 TYR A 31 0.441 -11.510 0.787 1.00 0.00 C ATOM 432 CD2 TYR A 31 1.168 -9.701 2.159 1.00 0.00 C ATOM 433 CE1 TYR A 31 0.216 -12.279 1.912 1.00 0.00 C ATOM 434 CE2 TYR A 31 0.948 -10.463 3.289 1.00 0.00 C ATOM 435 CZ TYR A 31 0.471 -11.752 3.161 1.00 0.00 C ATOM 436 OH TYR A 31 0.250 -12.515 4.284 1.00 0.00 O ATOM 0 H TYR A 31 -1.087 -10.395 -0.634 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.353 -7.888 -0.001 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.482 -10.022 -1.159 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.983 -8.681 -0.149 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.242 -11.927 -0.189 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.540 -8.693 2.263 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -0.158 -13.288 1.814 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.148 -10.053 4.268 1.00 0.00 H new ATOM 0 HH TYR A 31 0.481 -11.996 5.083 1.00 0.00 H new ATOM 446 N GLU A 32 0.702 -8.446 -3.093 1.00 0.00 N ATOM 447 CA GLU A 32 1.060 -7.785 -4.343 1.00 0.00 C ATOM 448 C GLU A 32 0.013 -6.742 -4.726 1.00 0.00 C ATOM 449 O GLU A 32 0.324 -5.561 -4.871 1.00 0.00 O ATOM 450 CB GLU A 32 1.206 -8.814 -5.466 1.00 0.00 C ATOM 451 CG GLU A 32 0.399 -10.081 -5.240 1.00 0.00 C ATOM 452 CD GLU A 32 0.093 -10.817 -6.530 1.00 0.00 C ATOM 453 OE1 GLU A 32 1.050 -11.182 -7.244 1.00 0.00 O ATOM 454 OE2 GLU A 32 -1.101 -11.028 -6.825 1.00 0.00 O ATOM 0 H GLU A 32 0.806 -9.461 -3.107 1.00 0.00 H new ATOM 0 HA GLU A 32 2.015 -7.280 -4.197 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.896 -8.359 -6.407 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.258 -9.078 -5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.949 -10.743 -4.571 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.536 -9.827 -4.741 1.00 0.00 H new ATOM 461 N GLU A 33 -1.228 -7.190 -4.888 1.00 0.00 N ATOM 462 CA GLU A 33 -2.320 -6.296 -5.256 1.00 0.00 C ATOM 463 C GLU A 33 -2.218 -4.974 -4.501 1.00 0.00 C ATOM 464 O GLU A 33 -2.526 -3.913 -5.042 1.00 0.00 O ATOM 465 CB GLU A 33 -3.669 -6.958 -4.967 1.00 0.00 C ATOM 466 CG GLU A 33 -3.930 -8.199 -5.804 1.00 0.00 C ATOM 467 CD GLU A 33 -3.894 -7.916 -7.294 1.00 0.00 C ATOM 468 OE1 GLU A 33 -4.324 -6.816 -7.698 1.00 0.00 O ATOM 469 OE2 GLU A 33 -3.436 -8.795 -8.054 1.00 0.00 O ATOM 0 H GLU A 33 -1.502 -8.165 -4.770 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.245 -6.092 -6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.714 -7.226 -3.911 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.465 -6.235 -5.146 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.185 -8.958 -5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.903 -8.613 -5.540 1.00 0.00 H new ATOM 476 N ALA A 34 -1.783 -5.047 -3.247 1.00 0.00 N ATOM 477 CA ALA A 34 -1.639 -3.857 -2.418 1.00 0.00 C ATOM 478 C ALA A 34 -0.326 -3.139 -2.711 1.00 0.00 C ATOM 479 O ALA A 34 -0.284 -1.912 -2.794 1.00 0.00 O ATOM 480 CB ALA A 34 -1.723 -4.227 -0.944 1.00 0.00 C ATOM 0 H ALA A 34 -1.524 -5.918 -2.783 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.456 -3.177 -2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.614 -3.329 -0.337 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.689 -4.688 -0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.926 -4.929 -0.699 1.00 0.00 H new ATOM 486 N ILE A 35 0.743 -3.913 -2.866 1.00 0.00 N ATOM 487 CA ILE A 35 2.058 -3.350 -3.151 1.00 0.00 C ATOM 488 C ILE A 35 1.963 -2.221 -4.172 1.00 0.00 C ATOM 489 O ILE A 35 2.222 -1.060 -3.855 1.00 0.00 O ATOM 490 CB ILE A 35 3.028 -4.423 -3.678 1.00 0.00 C ATOM 491 CG1 ILE A 35 3.277 -5.487 -2.606 1.00 0.00 C ATOM 492 CG2 ILE A 35 4.338 -3.785 -4.113 1.00 0.00 C ATOM 493 CD1 ILE A 35 4.058 -6.681 -3.109 1.00 0.00 C ATOM 0 H ILE A 35 0.725 -4.931 -2.799 1.00 0.00 H new ATOM 0 HA ILE A 35 2.442 -2.955 -2.211 1.00 0.00 H new ATOM 0 HB ILE A 35 2.577 -4.906 -4.545 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.817 -5.034 -1.775 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.319 -5.829 -2.215 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.013 -4.557 -4.483 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.145 -3.061 -4.905 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.796 -3.279 -3.263 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.197 -7.394 -2.296 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.509 -7.159 -3.921 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.031 -6.352 -3.473 1.00 0.00 H new ATOM 505 N SER A 36 1.588 -2.570 -5.399 1.00 0.00 N ATOM 506 CA SER A 36 1.461 -1.587 -6.468 1.00 0.00 C ATOM 507 C SER A 36 0.534 -0.448 -6.051 1.00 0.00 C ATOM 508 O SER A 36 0.948 0.710 -5.982 1.00 0.00 O ATOM 509 CB SER A 36 0.931 -2.251 -7.740 1.00 0.00 C ATOM 510 OG SER A 36 -0.409 -2.680 -7.571 1.00 0.00 O ATOM 0 H SER A 36 1.367 -3.526 -5.677 1.00 0.00 H new ATOM 0 HA SER A 36 2.450 -1.174 -6.668 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.989 -1.549 -8.572 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.559 -3.104 -7.998 1.00 0.00 H new ATOM 0 HG SER A 36 -0.725 -3.099 -8.398 1.00 0.00 H new ATOM 516 N CYS A 37 -0.720 -0.786 -5.774 1.00 0.00 N ATOM 517 CA CYS A 37 -1.707 0.207 -5.365 1.00 0.00 C ATOM 518 C CYS A 37 -1.109 1.187 -4.362 1.00 0.00 C ATOM 519 O CYS A 37 -1.447 2.371 -4.357 1.00 0.00 O ATOM 520 CB CYS A 37 -2.931 -0.481 -4.757 1.00 0.00 C ATOM 521 SG CYS A 37 -3.995 -1.300 -5.968 1.00 0.00 S ATOM 0 H CYS A 37 -1.078 -1.740 -5.825 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.014 0.764 -6.250 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.595 -1.218 -4.027 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.519 0.260 -4.215 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.742 -2.575 -5.976 1.00 0.00 H new ATOM 527 N HIS A 38 -0.218 0.685 -3.511 1.00 0.00 N ATOM 528 CA HIS A 38 0.427 1.517 -2.502 1.00 0.00 C ATOM 529 C HIS A 38 1.431 2.470 -3.143 1.00 0.00 C ATOM 530 O HIS A 38 1.580 3.613 -2.710 1.00 0.00 O ATOM 531 CB HIS A 38 1.130 0.642 -1.463 1.00 0.00 C ATOM 532 CG HIS A 38 1.190 1.260 -0.100 1.00 0.00 C ATOM 533 ND1 HIS A 38 1.212 2.623 0.107 1.00 0.00 N ATOM 534 CD2 HIS A 38 1.230 0.693 1.128 1.00 0.00 C ATOM 535 CE1 HIS A 38 1.265 2.868 1.404 1.00 0.00 C ATOM 536 NE2 HIS A 38 1.277 1.714 2.046 1.00 0.00 N ATOM 0 H HIS A 38 0.073 -0.293 -3.501 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.344 2.108 -2.008 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.613 -0.315 -1.396 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.144 0.433 -1.803 1.00 0.00 H new ATOM 0 HD1 HIS A 38 1.191 3.331 -0.627 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.226 -0.365 1.346 1.00 0.00 H new ATOM 0 HE1 HIS A 38 1.294 3.846 1.862 1.00 0.00 H new ATOM 545 N ARG A 39 2.116 1.993 -4.177 1.00 0.00 N ATOM 546 CA ARG A 39 3.106 2.802 -4.876 1.00 0.00 C ATOM 547 C ARG A 39 2.431 3.894 -5.701 1.00 0.00 C ATOM 548 O ARG A 39 3.036 4.924 -6.001 1.00 0.00 O ATOM 549 CB ARG A 39 3.967 1.921 -5.784 1.00 0.00 C ATOM 550 CG ARG A 39 4.966 1.061 -5.028 1.00 0.00 C ATOM 551 CD ARG A 39 6.034 0.502 -5.955 1.00 0.00 C ATOM 552 NE ARG A 39 6.906 1.550 -6.480 1.00 0.00 N ATOM 553 CZ ARG A 39 7.957 1.311 -7.255 1.00 0.00 C ATOM 554 NH1 ARG A 39 8.266 0.067 -7.594 1.00 0.00 N ATOM 555 NH2 ARG A 39 8.702 2.318 -7.694 1.00 0.00 N ATOM 0 H ARG A 39 2.003 1.050 -4.549 1.00 0.00 H new ATOM 0 HA ARG A 39 3.744 3.276 -4.130 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.316 1.275 -6.372 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.506 2.556 -6.487 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.437 1.653 -4.244 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.443 0.240 -4.537 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.633 -0.232 -5.417 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.557 -0.022 -6.784 1.00 0.00 H new ATOM 0 HE ARG A 39 6.696 2.518 -6.238 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.696 -0.709 -7.259 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.074 -0.114 -8.190 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.467 3.276 -7.436 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.509 2.133 -8.289 1.00 0.00 H new ATOM 569 N LYS A 40 1.175 3.662 -6.066 1.00 0.00 N ATOM 570 CA LYS A 40 0.416 4.625 -6.855 1.00 0.00 C ATOM 571 C LYS A 40 0.297 5.957 -6.121 1.00 0.00 C ATOM 572 O LYS A 40 0.336 7.021 -6.737 1.00 0.00 O ATOM 573 CB LYS A 40 -0.978 4.075 -7.166 1.00 0.00 C ATOM 574 CG LYS A 40 -0.961 2.681 -7.768 1.00 0.00 C ATOM 575 CD LYS A 40 -0.313 2.674 -9.142 1.00 0.00 C ATOM 576 CE LYS A 40 1.185 2.426 -9.050 1.00 0.00 C ATOM 577 NZ LYS A 40 1.507 0.972 -9.056 1.00 0.00 N ATOM 0 H LYS A 40 0.660 2.814 -5.828 1.00 0.00 H new ATOM 0 HA LYS A 40 0.951 4.792 -7.790 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.566 4.058 -6.248 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.482 4.753 -7.855 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.420 2.005 -7.106 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.981 2.304 -7.844 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.774 1.902 -9.759 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.495 3.628 -9.636 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.686 2.913 -9.887 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.573 2.880 -8.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.801 0.678 -8.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.666 0.431 -9.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.280 0.790 -9.728 1.00 0.00 H new ATOM 591 N ALA A 41 0.153 5.889 -4.801 1.00 0.00 N ATOM 592 CA ALA A 41 0.032 7.089 -3.984 1.00 0.00 C ATOM 593 C ALA A 41 1.370 7.812 -3.867 1.00 0.00 C ATOM 594 O ALA A 41 1.488 8.985 -4.222 1.00 0.00 O ATOM 595 CB ALA A 41 -0.501 6.736 -2.603 1.00 0.00 C ATOM 0 H ALA A 41 0.117 5.015 -4.276 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.673 7.761 -4.473 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.586 7.642 -2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.482 6.271 -2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.183 6.041 -2.116 1.00 0.00 H new ATOM 601 N THR A 42 2.378 7.104 -3.367 1.00 0.00 N ATOM 602 CA THR A 42 3.707 7.677 -3.201 1.00 0.00 C ATOM 603 C THR A 42 4.090 8.533 -4.403 1.00 0.00 C ATOM 604 O THR A 42 4.551 9.665 -4.252 1.00 0.00 O ATOM 605 CB THR A 42 4.772 6.581 -3.006 1.00 0.00 C ATOM 606 OG1 THR A 42 4.624 5.570 -4.009 1.00 0.00 O ATOM 607 CG2 THR A 42 4.656 5.954 -1.625 1.00 0.00 C ATOM 0 H THR A 42 2.298 6.132 -3.070 1.00 0.00 H new ATOM 0 HA THR A 42 3.672 8.302 -2.309 1.00 0.00 H new ATOM 0 HB THR A 42 5.756 7.041 -3.097 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.783 5.710 -4.493 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.418 5.183 -1.510 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.799 6.721 -0.864 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.668 5.508 -1.510 1.00 0.00 H new ATOM 615 N THR A 43 3.895 7.987 -5.599 1.00 0.00 N ATOM 616 CA THR A 43 4.221 8.700 -6.828 1.00 0.00 C ATOM 617 C THR A 43 3.467 10.023 -6.911 1.00 0.00 C ATOM 618 O THR A 43 4.058 11.069 -7.182 1.00 0.00 O ATOM 619 CB THR A 43 3.891 7.855 -8.073 1.00 0.00 C ATOM 620 OG1 THR A 43 4.608 6.616 -8.028 1.00 0.00 O ATOM 621 CG2 THR A 43 4.245 8.606 -9.347 1.00 0.00 C ATOM 0 H THR A 43 3.513 7.052 -5.743 1.00 0.00 H new ATOM 0 HA THR A 43 5.293 8.896 -6.805 1.00 0.00 H new ATOM 0 HB THR A 43 2.820 7.655 -8.075 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.171 6.008 -7.396 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.003 7.989 -10.212 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.675 9.534 -9.392 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.311 8.834 -9.351 1.00 0.00 H new ATOM 629 N TYR A 44 2.161 9.970 -6.677 1.00 0.00 N ATOM 630 CA TYR A 44 1.326 11.164 -6.727 1.00 0.00 C ATOM 631 C TYR A 44 1.797 12.201 -5.713 1.00 0.00 C ATOM 632 O TYR A 44 1.916 13.386 -6.027 1.00 0.00 O ATOM 633 CB TYR A 44 -0.136 10.802 -6.462 1.00 0.00 C ATOM 634 CG TYR A 44 -1.030 12.004 -6.258 1.00 0.00 C ATOM 635 CD1 TYR A 44 -0.778 13.201 -6.917 1.00 0.00 C ATOM 636 CD2 TYR A 44 -2.126 11.943 -5.407 1.00 0.00 C ATOM 637 CE1 TYR A 44 -1.592 14.302 -6.734 1.00 0.00 C ATOM 638 CE2 TYR A 44 -2.946 13.039 -5.218 1.00 0.00 C ATOM 639 CZ TYR A 44 -2.675 14.216 -5.884 1.00 0.00 C ATOM 640 OH TYR A 44 -3.489 15.310 -5.698 1.00 0.00 O ATOM 0 H TYR A 44 1.657 9.112 -6.451 1.00 0.00 H new ATOM 0 HA TYR A 44 1.411 11.594 -7.725 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.514 10.216 -7.300 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.190 10.166 -5.579 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.069 13.272 -7.584 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.341 11.023 -4.884 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.382 15.225 -7.254 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.794 12.974 -4.553 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.325 15.027 -5.271 1.00 0.00 H new ATOM 650 N LEU A 45 2.065 11.747 -4.493 1.00 0.00 N ATOM 651 CA LEU A 45 2.525 12.634 -3.430 1.00 0.00 C ATOM 652 C LEU A 45 3.838 13.309 -3.813 1.00 0.00 C ATOM 653 O LEU A 45 4.022 14.505 -3.588 1.00 0.00 O ATOM 654 CB LEU A 45 2.701 11.852 -2.127 1.00 0.00 C ATOM 655 CG LEU A 45 1.414 11.462 -1.399 1.00 0.00 C ATOM 656 CD1 LEU A 45 1.719 10.524 -0.242 1.00 0.00 C ATOM 657 CD2 LEU A 45 0.685 12.703 -0.905 1.00 0.00 C ATOM 0 H LEU A 45 1.972 10.770 -4.216 1.00 0.00 H new ATOM 0 HA LEU A 45 1.770 13.407 -3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.261 10.943 -2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.312 12.448 -1.449 1.00 0.00 H new ATOM 0 HG LEU A 45 0.765 10.939 -2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.791 10.257 0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.198 9.621 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.387 11.020 0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.229 12.407 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.328 13.253 -0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.433 13.339 -1.754 1.00 0.00 H new ATOM 669 N SER A 46 4.748 12.534 -4.396 1.00 0.00 N ATOM 670 CA SER A 46 6.045 13.056 -4.809 1.00 0.00 C ATOM 671 C SER A 46 5.884 14.106 -5.904 1.00 0.00 C ATOM 672 O SER A 46 6.799 14.884 -6.172 1.00 0.00 O ATOM 673 CB SER A 46 6.942 11.919 -5.304 1.00 0.00 C ATOM 674 OG SER A 46 8.262 12.377 -5.539 1.00 0.00 O ATOM 0 H SER A 46 4.610 11.543 -4.593 1.00 0.00 H new ATOM 0 HA SER A 46 6.512 13.527 -3.944 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.958 11.117 -4.566 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.530 11.500 -6.222 1.00 0.00 H new ATOM 0 HG SER A 46 8.243 13.333 -5.755 1.00 0.00 H new ATOM 680 N GLU A 47 4.713 14.120 -6.535 1.00 0.00 N ATOM 681 CA GLU A 47 4.432 15.073 -7.602 1.00 0.00 C ATOM 682 C GLU A 47 3.895 16.383 -7.033 1.00 0.00 C ATOM 683 O GLU A 47 4.001 17.435 -7.663 1.00 0.00 O ATOM 684 CB GLU A 47 3.426 14.482 -8.591 1.00 0.00 C ATOM 685 CG GLU A 47 4.005 13.381 -9.464 1.00 0.00 C ATOM 686 CD GLU A 47 3.332 13.297 -10.820 1.00 0.00 C ATOM 687 OE1 GLU A 47 3.472 14.252 -11.612 1.00 0.00 O ATOM 688 OE2 GLU A 47 2.667 12.275 -11.089 1.00 0.00 O ATOM 0 H GLU A 47 3.945 13.483 -6.325 1.00 0.00 H new ATOM 0 HA GLU A 47 5.365 15.280 -8.125 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.575 14.085 -8.037 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.047 15.279 -9.230 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.072 13.556 -9.602 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.902 12.424 -8.952 1.00 0.00 H new ATOM 695 N ALA A 48 3.316 16.309 -5.839 1.00 0.00 N ATOM 696 CA ALA A 48 2.762 17.488 -5.185 1.00 0.00 C ATOM 697 C ALA A 48 3.870 18.389 -4.649 1.00 0.00 C ATOM 698 O ALA A 48 3.961 19.561 -5.015 1.00 0.00 O ATOM 699 CB ALA A 48 1.824 17.076 -4.060 1.00 0.00 C ATOM 0 H ALA A 48 3.218 15.445 -5.305 1.00 0.00 H new ATOM 0 HA ALA A 48 2.196 18.052 -5.926 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.418 17.967 -3.581 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.008 16.479 -4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.373 16.487 -3.325 1.00 0.00 H new ATOM 705 N MET A 49 4.708 17.835 -3.779 1.00 0.00 N ATOM 706 CA MET A 49 5.810 18.590 -3.193 1.00 0.00 C ATOM 707 C MET A 49 6.656 19.247 -4.278 1.00 0.00 C ATOM 708 O MET A 49 7.117 20.378 -4.122 1.00 0.00 O ATOM 709 CB MET A 49 6.682 17.675 -2.333 1.00 0.00 C ATOM 710 CG MET A 49 7.130 16.411 -3.050 1.00 0.00 C ATOM 711 SD MET A 49 7.914 15.224 -1.943 1.00 0.00 S ATOM 712 CE MET A 49 6.738 15.193 -0.592 1.00 0.00 C ATOM 0 H MET A 49 4.645 16.867 -3.464 1.00 0.00 H new ATOM 0 HA MET A 49 5.387 19.373 -2.563 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.562 18.228 -2.006 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.128 17.397 -1.436 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.268 15.943 -3.526 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.828 16.677 -3.844 1.00 0.00 H new ATOM 0 HE1 MET A 49 6.764 14.216 -0.109 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.997 15.964 0.134 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.736 15.380 -0.978 1.00 0.00 H new ATOM 722 N LYS A 50 6.859 18.531 -5.379 1.00 0.00 N ATOM 723 CA LYS A 50 7.649 19.043 -6.492 1.00 0.00 C ATOM 724 C LYS A 50 6.989 20.273 -7.107 1.00 0.00 C ATOM 725 O LYS A 50 7.657 21.110 -7.715 1.00 0.00 O ATOM 726 CB LYS A 50 7.830 17.961 -7.558 1.00 0.00 C ATOM 727 CG LYS A 50 8.967 16.998 -7.261 1.00 0.00 C ATOM 728 CD LYS A 50 9.100 15.941 -8.345 1.00 0.00 C ATOM 729 CE LYS A 50 10.244 14.983 -8.051 1.00 0.00 C ATOM 730 NZ LYS A 50 11.566 15.665 -8.105 1.00 0.00 N ATOM 0 H LYS A 50 6.486 17.593 -5.524 1.00 0.00 H new ATOM 0 HA LYS A 50 8.627 19.331 -6.107 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.902 17.397 -7.652 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.012 18.438 -8.521 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.902 17.552 -7.175 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.794 16.515 -6.299 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.168 15.382 -8.426 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.267 16.424 -9.308 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.103 14.541 -7.065 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.227 14.165 -8.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.324 14.953 -8.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.628 16.234 -8.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.671 16.285 -7.277 1.00 0.00 H new ATOM 744 N LEU A 51 5.675 20.376 -6.945 1.00 0.00 N ATOM 745 CA LEU A 51 4.924 21.505 -7.484 1.00 0.00 C ATOM 746 C LEU A 51 4.795 22.617 -6.448 1.00 0.00 C ATOM 747 O LEU A 51 5.194 23.757 -6.691 1.00 0.00 O ATOM 748 CB LEU A 51 3.535 21.050 -7.936 1.00 0.00 C ATOM 749 CG LEU A 51 2.506 22.158 -8.161 1.00 0.00 C ATOM 750 CD1 LEU A 51 2.620 22.715 -9.571 1.00 0.00 C ATOM 751 CD2 LEU A 51 1.099 21.639 -7.903 1.00 0.00 C ATOM 0 H LEU A 51 5.107 19.692 -6.445 1.00 0.00 H new ATOM 0 HA LEU A 51 5.469 21.895 -8.343 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.643 20.488 -8.864 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.140 20.361 -7.190 1.00 0.00 H new ATOM 0 HG LEU A 51 2.710 22.965 -7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.880 23.502 -9.712 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.619 23.125 -9.721 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.443 21.917 -10.293 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.379 22.441 -8.068 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.885 20.814 -8.583 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.023 21.290 -6.873 1.00 0.00 H new ATOM 763 N THR A 52 4.236 22.279 -5.290 1.00 0.00 N ATOM 764 CA THR A 52 4.055 23.248 -4.217 1.00 0.00 C ATOM 765 C THR A 52 5.372 23.929 -3.863 1.00 0.00 C ATOM 766 O THR A 52 6.373 23.264 -3.600 1.00 0.00 O ATOM 767 CB THR A 52 3.477 22.584 -2.953 1.00 0.00 C ATOM 768 OG1 THR A 52 2.789 23.557 -2.159 1.00 0.00 O ATOM 769 CG2 THR A 52 4.581 21.939 -2.128 1.00 0.00 C ATOM 0 H THR A 52 3.901 21.341 -5.072 1.00 0.00 H new ATOM 0 HA THR A 52 3.350 23.995 -4.581 1.00 0.00 H new ATOM 0 HB THR A 52 2.777 21.809 -3.265 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.070 23.120 -1.657 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.149 21.477 -1.240 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.084 21.179 -2.725 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.302 22.699 -1.827 1.00 0.00 H new ATOM 777 N GLU A 53 5.363 25.258 -3.858 1.00 0.00 N ATOM 778 CA GLU A 53 6.558 26.028 -3.536 1.00 0.00 C ATOM 779 C GLU A 53 6.508 26.536 -2.098 1.00 0.00 C ATOM 780 O GLU A 53 7.125 27.548 -1.764 1.00 0.00 O ATOM 781 CB GLU A 53 6.708 27.207 -4.500 1.00 0.00 C ATOM 782 CG GLU A 53 7.182 26.803 -5.886 1.00 0.00 C ATOM 783 CD GLU A 53 7.610 27.992 -6.725 1.00 0.00 C ATOM 784 OE1 GLU A 53 8.403 28.816 -6.224 1.00 0.00 O ATOM 785 OE2 GLU A 53 7.152 28.098 -7.882 1.00 0.00 O ATOM 0 H GLU A 53 4.542 25.823 -4.073 1.00 0.00 H new ATOM 0 HA GLU A 53 7.421 25.370 -3.641 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.749 27.718 -4.588 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.413 27.923 -4.078 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.018 26.109 -5.792 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.381 26.270 -6.399 1.00 0.00 H new ATOM 792 N SER A 54 5.767 25.827 -1.252 1.00 0.00 N ATOM 793 CA SER A 54 5.631 26.208 0.149 1.00 0.00 C ATOM 794 C SER A 54 6.368 25.224 1.053 1.00 0.00 C ATOM 795 O SER A 54 6.645 24.092 0.660 1.00 0.00 O ATOM 796 CB SER A 54 4.154 26.271 0.542 1.00 0.00 C ATOM 797 OG SER A 54 3.449 27.193 -0.271 1.00 0.00 O ATOM 0 H SER A 54 5.252 24.986 -1.512 1.00 0.00 H new ATOM 0 HA SER A 54 6.075 27.195 0.276 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.707 25.282 0.447 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.065 26.562 1.589 1.00 0.00 H new ATOM 0 HG SER A 54 2.507 27.214 -0.001 1.00 0.00 H new ATOM 803 N GLU A 55 6.683 25.667 2.267 1.00 0.00 N ATOM 804 CA GLU A 55 7.388 24.826 3.227 1.00 0.00 C ATOM 805 C GLU A 55 6.425 23.868 3.922 1.00 0.00 C ATOM 806 O GLU A 55 6.589 22.651 3.854 1.00 0.00 O ATOM 807 CB GLU A 55 8.104 25.691 4.266 1.00 0.00 C ATOM 808 CG GLU A 55 9.294 25.004 4.914 1.00 0.00 C ATOM 809 CD GLU A 55 9.997 25.887 5.928 1.00 0.00 C ATOM 810 OE1 GLU A 55 10.207 27.081 5.631 1.00 0.00 O ATOM 811 OE2 GLU A 55 10.335 25.382 7.019 1.00 0.00 O ATOM 0 H GLU A 55 6.461 26.602 2.608 1.00 0.00 H new ATOM 0 HA GLU A 55 8.127 24.238 2.683 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.442 26.611 3.790 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.393 25.976 5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.958 24.090 5.404 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.004 24.709 4.141 1.00 0.00 H new ATOM 818 N GLN A 56 5.422 24.429 4.590 1.00 0.00 N ATOM 819 CA GLN A 56 4.433 23.624 5.299 1.00 0.00 C ATOM 820 C GLN A 56 3.874 22.529 4.396 1.00 0.00 C ATOM 821 O GLN A 56 3.899 21.350 4.746 1.00 0.00 O ATOM 822 CB GLN A 56 3.296 24.510 5.810 1.00 0.00 C ATOM 823 CG GLN A 56 3.614 25.212 7.121 1.00 0.00 C ATOM 824 CD GLN A 56 3.322 24.347 8.331 1.00 0.00 C ATOM 825 OE1 GLN A 56 2.174 24.224 8.758 1.00 0.00 O ATOM 826 NE2 GLN A 56 4.363 23.742 8.892 1.00 0.00 N ATOM 0 H GLN A 56 5.273 25.436 4.655 1.00 0.00 H new ATOM 0 HA GLN A 56 4.927 23.152 6.149 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.062 25.259 5.054 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.402 23.900 5.941 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.665 25.499 7.129 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.032 26.131 7.187 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.298 23.872 8.505 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.228 23.148 9.710 1.00 0.00 H new ATOM 835 N ALA A 57 3.370 22.928 3.233 1.00 0.00 N ATOM 836 CA ALA A 57 2.806 21.981 2.280 1.00 0.00 C ATOM 837 C ALA A 57 3.762 20.819 2.029 1.00 0.00 C ATOM 838 O ALA A 57 3.433 19.663 2.297 1.00 0.00 O ATOM 839 CB ALA A 57 2.472 22.683 0.972 1.00 0.00 C ATOM 0 H ALA A 57 3.341 23.901 2.928 1.00 0.00 H new ATOM 0 HA ALA A 57 1.888 21.577 2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.052 21.963 0.270 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.746 23.474 1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.379 23.115 0.549 1.00 0.00 H new ATOM 845 N HIS A 58 4.946 21.134 1.514 1.00 0.00 N ATOM 846 CA HIS A 58 5.950 20.116 1.227 1.00 0.00 C ATOM 847 C HIS A 58 6.120 19.171 2.413 1.00 0.00 C ATOM 848 O HIS A 58 6.060 17.950 2.261 1.00 0.00 O ATOM 849 CB HIS A 58 7.289 20.771 0.886 1.00 0.00 C ATOM 850 CG HIS A 58 8.410 19.791 0.720 1.00 0.00 C ATOM 851 ND1 HIS A 58 8.881 19.004 1.749 1.00 0.00 N ATOM 852 CD2 HIS A 58 9.153 19.473 -0.366 1.00 0.00 C ATOM 853 CE1 HIS A 58 9.866 18.245 1.305 1.00 0.00 C ATOM 854 NE2 HIS A 58 10.051 18.510 0.024 1.00 0.00 N ATOM 0 H HIS A 58 5.234 22.086 1.287 1.00 0.00 H new ATOM 0 HA HIS A 58 5.609 19.537 0.369 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.180 21.345 -0.034 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.549 21.478 1.674 1.00 0.00 H new ATOM 0 HD2 HIS A 58 9.057 19.897 -1.355 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.425 17.529 1.889 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.748 18.071 -0.578 1.00 0.00 H new ATOM 863 N LEU A 59 6.333 19.743 3.593 1.00 0.00 N ATOM 864 CA LEU A 59 6.512 18.952 4.805 1.00 0.00 C ATOM 865 C LEU A 59 5.371 17.955 4.979 1.00 0.00 C ATOM 866 O LEU A 59 5.597 16.750 5.092 1.00 0.00 O ATOM 867 CB LEU A 59 6.595 19.868 6.028 1.00 0.00 C ATOM 868 CG LEU A 59 7.994 20.349 6.412 1.00 0.00 C ATOM 869 CD1 LEU A 59 8.733 20.873 5.191 1.00 0.00 C ATOM 870 CD2 LEU A 59 7.912 21.422 7.488 1.00 0.00 C ATOM 0 H LEU A 59 6.386 20.752 3.736 1.00 0.00 H new ATOM 0 HA LEU A 59 7.445 18.396 4.711 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.969 20.742 5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.167 19.342 6.881 1.00 0.00 H new ATOM 0 HG LEU A 59 8.551 19.502 6.812 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.727 21.211 5.484 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.824 20.077 4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.179 21.707 4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.917 21.753 7.749 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.337 22.269 7.114 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.423 21.014 8.373 1.00 0.00 H new ATOM 882 N SER A 60 4.143 18.465 4.997 1.00 0.00 N ATOM 883 CA SER A 60 2.966 17.620 5.158 1.00 0.00 C ATOM 884 C SER A 60 3.074 16.368 4.293 1.00 0.00 C ATOM 885 O SER A 60 2.482 15.333 4.602 1.00 0.00 O ATOM 886 CB SER A 60 1.700 18.398 4.793 1.00 0.00 C ATOM 887 OG SER A 60 1.460 19.444 5.718 1.00 0.00 O ATOM 0 H SER A 60 3.938 19.460 4.902 1.00 0.00 H new ATOM 0 HA SER A 60 2.908 17.315 6.203 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.800 18.812 3.789 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.846 17.721 4.775 1.00 0.00 H new ATOM 0 HG SER A 60 2.122 20.155 5.587 1.00 0.00 H new ATOM 893 N LEU A 61 3.835 16.469 3.209 1.00 0.00 N ATOM 894 CA LEU A 61 4.022 15.345 2.298 1.00 0.00 C ATOM 895 C LEU A 61 5.270 14.549 2.665 1.00 0.00 C ATOM 896 O LEU A 61 5.191 13.358 2.965 1.00 0.00 O ATOM 897 CB LEU A 61 4.128 15.845 0.856 1.00 0.00 C ATOM 898 CG LEU A 61 3.007 16.771 0.382 1.00 0.00 C ATOM 899 CD1 LEU A 61 3.373 17.416 -0.946 1.00 0.00 C ATOM 900 CD2 LEU A 61 1.697 16.006 0.263 1.00 0.00 C ATOM 0 H LEU A 61 4.333 17.318 2.939 1.00 0.00 H new ATOM 0 HA LEU A 61 3.156 14.689 2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.077 16.369 0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.161 14.980 0.194 1.00 0.00 H new ATOM 0 HG LEU A 61 2.877 17.561 1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.564 18.071 -1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.287 17.999 -0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.532 16.641 -1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.911 16.681 -0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.813 15.195 -0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.427 15.593 1.235 1.00 0.00 H new ATOM 912 N GLU A 62 6.420 15.215 2.640 1.00 0.00 N ATOM 913 CA GLU A 62 7.684 14.569 2.972 1.00 0.00 C ATOM 914 C GLU A 62 7.519 13.632 4.166 1.00 0.00 C ATOM 915 O GLU A 62 8.233 12.636 4.291 1.00 0.00 O ATOM 916 CB GLU A 62 8.755 15.619 3.278 1.00 0.00 C ATOM 917 CG GLU A 62 8.805 16.028 4.740 1.00 0.00 C ATOM 918 CD GLU A 62 9.786 17.156 4.997 1.00 0.00 C ATOM 919 OE1 GLU A 62 9.952 18.013 4.105 1.00 0.00 O ATOM 920 OE2 GLU A 62 10.388 17.180 6.091 1.00 0.00 O ATOM 0 H GLU A 62 6.502 16.201 2.393 1.00 0.00 H new ATOM 0 HA GLU A 62 7.999 13.980 2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.729 15.228 2.985 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.570 16.503 2.668 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.810 16.336 5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.082 15.165 5.346 1.00 0.00 H new ATOM 927 N LEU A 63 6.574 13.958 5.040 1.00 0.00 N ATOM 928 CA LEU A 63 6.315 13.147 6.224 1.00 0.00 C ATOM 929 C LEU A 63 5.325 12.029 5.913 1.00 0.00 C ATOM 930 O LEU A 63 5.608 10.854 6.146 1.00 0.00 O ATOM 931 CB LEU A 63 5.774 14.021 7.357 1.00 0.00 C ATOM 932 CG LEU A 63 6.762 15.015 7.969 1.00 0.00 C ATOM 933 CD1 LEU A 63 6.025 16.074 8.774 1.00 0.00 C ATOM 934 CD2 LEU A 63 7.776 14.290 8.841 1.00 0.00 C ATOM 0 H LEU A 63 5.974 14.778 4.951 1.00 0.00 H new ATOM 0 HA LEU A 63 7.257 12.697 6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.915 14.578 6.981 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.408 13.368 8.150 1.00 0.00 H new ATOM 0 HG LEU A 63 7.297 15.511 7.159 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.745 16.772 9.202 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.339 16.614 8.122 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.463 15.596 9.576 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.471 15.013 9.268 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.257 13.767 9.644 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.327 13.570 8.236 1.00 0.00 H new ATOM 946 N GLN A 64 4.165 12.403 5.383 1.00 0.00 N ATOM 947 CA GLN A 64 3.135 11.431 5.037 1.00 0.00 C ATOM 948 C GLN A 64 3.690 10.355 4.111 1.00 0.00 C ATOM 949 O GLN A 64 3.150 9.251 4.032 1.00 0.00 O ATOM 950 CB GLN A 64 1.947 12.130 4.373 1.00 0.00 C ATOM 951 CG GLN A 64 0.641 11.363 4.500 1.00 0.00 C ATOM 952 CD GLN A 64 0.223 11.157 5.943 1.00 0.00 C ATOM 953 OE1 GLN A 64 0.712 11.837 6.846 1.00 0.00 O ATOM 954 NE2 GLN A 64 -0.686 10.215 6.168 1.00 0.00 N ATOM 0 H GLN A 64 3.915 13.372 5.184 1.00 0.00 H new ATOM 0 HA GLN A 64 2.798 10.953 5.957 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.823 13.118 4.817 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.169 12.281 3.317 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.145 11.902 3.971 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.745 10.393 4.014 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.065 9.675 5.390 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.006 10.031 7.119 1.00 0.00 H new ATOM 963 N ARG A 65 4.772 10.683 3.412 1.00 0.00 N ATOM 964 CA ARG A 65 5.399 9.745 2.489 1.00 0.00 C ATOM 965 C ARG A 65 6.121 8.636 3.249 1.00 0.00 C ATOM 966 O ARG A 65 5.976 7.455 2.931 1.00 0.00 O ATOM 967 CB ARG A 65 6.384 10.476 1.576 1.00 0.00 C ATOM 968 CG ARG A 65 6.779 9.679 0.343 1.00 0.00 C ATOM 969 CD ARG A 65 7.629 10.508 -0.607 1.00 0.00 C ATOM 970 NE ARG A 65 8.873 10.951 0.016 1.00 0.00 N ATOM 971 CZ ARG A 65 9.840 11.582 -0.640 1.00 0.00 C ATOM 972 NH1 ARG A 65 9.706 11.844 -1.933 1.00 0.00 N ATOM 973 NH2 ARG A 65 10.943 11.954 -0.003 1.00 0.00 N ATOM 0 H ARG A 65 5.232 11.591 3.468 1.00 0.00 H new ATOM 0 HA ARG A 65 4.615 9.295 1.880 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.941 11.421 1.261 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.282 10.718 2.144 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.331 8.789 0.645 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.882 9.337 -0.174 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.858 9.920 -1.495 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.060 11.377 -0.938 1.00 0.00 H new ATOM 0 HE ARG A 65 9.007 10.766 1.010 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.859 11.561 -2.426 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.450 12.329 -2.435 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.049 11.755 0.992 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.685 12.439 -0.508 1.00 0.00 H new ATOM 987 N ASP A 66 6.899 9.024 4.253 1.00 0.00 N ATOM 988 CA ASP A 66 7.644 8.063 5.059 1.00 0.00 C ATOM 989 C ASP A 66 6.825 6.796 5.288 1.00 0.00 C ATOM 990 O ASP A 66 7.158 5.729 4.773 1.00 0.00 O ATOM 991 CB ASP A 66 8.032 8.684 6.402 1.00 0.00 C ATOM 992 CG ASP A 66 8.750 7.703 7.307 1.00 0.00 C ATOM 993 OD1 ASP A 66 9.544 6.890 6.789 1.00 0.00 O ATOM 994 OD2 ASP A 66 8.518 7.747 8.534 1.00 0.00 O ATOM 0 H ASP A 66 7.031 9.997 4.529 1.00 0.00 H new ATOM 0 HA ASP A 66 8.550 7.795 4.516 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.672 9.549 6.228 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.135 9.047 6.904 1.00 0.00 H new ATOM 999 N SER A 67 5.754 6.922 6.065 1.00 0.00 N ATOM 1000 CA SER A 67 4.891 5.786 6.366 1.00 0.00 C ATOM 1001 C SER A 67 4.376 5.140 5.083 1.00 0.00 C ATOM 1002 O SER A 67 4.493 3.928 4.894 1.00 0.00 O ATOM 1003 CB SER A 67 3.713 6.230 7.235 1.00 0.00 C ATOM 1004 OG SER A 67 2.979 7.268 6.608 1.00 0.00 O ATOM 0 H SER A 67 5.463 7.799 6.497 1.00 0.00 H new ATOM 0 HA SER A 67 5.479 5.049 6.913 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.057 5.380 7.426 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.080 6.573 8.203 1.00 0.00 H new ATOM 0 HG SER A 67 2.231 7.533 7.183 1.00 0.00 H new ATOM 1010 N HIS A 68 3.805 5.957 4.204 1.00 0.00 N ATOM 1011 CA HIS A 68 3.272 5.466 2.938 1.00 0.00 C ATOM 1012 C HIS A 68 4.222 4.454 2.305 1.00 0.00 C ATOM 1013 O HIS A 68 3.797 3.572 1.559 1.00 0.00 O ATOM 1014 CB HIS A 68 3.034 6.630 1.976 1.00 0.00 C ATOM 1015 CG HIS A 68 1.694 7.280 2.141 1.00 0.00 C ATOM 1016 ND1 HIS A 68 1.339 8.585 2.150 1.00 0.00 N flip ATOM 1017 CD2 HIS A 68 0.530 6.565 2.328 1.00 0.00 C flip ATOM 1018 CE1 HIS A 68 -0.021 8.636 2.338 1.00 0.00 C flip ATOM 1019 NE2 HIS A 68 -0.485 7.404 2.442 1.00 0.00 N flip ATOM 0 H HIS A 68 3.699 6.962 4.345 1.00 0.00 H new ATOM 0 HA HIS A 68 2.322 4.970 3.139 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.812 7.378 2.125 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.130 6.270 0.952 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.459 5.488 2.374 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.614 9.537 2.392 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.461 7.144 2.586 1.00 0.00 H new ATOM 1028 N MET A 69 5.509 4.587 2.607 1.00 0.00 N ATOM 1029 CA MET A 69 6.518 3.683 2.068 1.00 0.00 C ATOM 1030 C MET A 69 6.851 2.580 3.067 1.00 0.00 C ATOM 1031 O MET A 69 6.939 1.407 2.706 1.00 0.00 O ATOM 1032 CB MET A 69 7.787 4.459 1.705 1.00 0.00 C ATOM 1033 CG MET A 69 7.734 5.101 0.328 1.00 0.00 C ATOM 1034 SD MET A 69 7.657 3.886 -1.002 1.00 0.00 S ATOM 1035 CE MET A 69 9.033 2.824 -0.571 1.00 0.00 C ATOM 0 H MET A 69 5.878 5.312 3.222 1.00 0.00 H new ATOM 0 HA MET A 69 6.112 3.222 1.168 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.955 5.235 2.452 1.00 0.00 H new ATOM 0 HB3 MET A 69 8.641 3.783 1.749 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.863 5.754 0.269 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.614 5.730 0.190 1.00 0.00 H new ATOM 0 HE1 MET A 69 9.296 2.204 -1.428 1.00 0.00 H new ATOM 0 HE2 MET A 69 9.890 3.435 -0.289 1.00 0.00 H new ATOM 0 HE3 MET A 69 8.751 2.185 0.266 1.00 0.00 H new ATOM 1045 N LYS A 70 7.034 2.965 4.326 1.00 0.00 N ATOM 1046 CA LYS A 70 7.356 2.009 5.379 1.00 0.00 C ATOM 1047 C LYS A 70 6.473 0.769 5.277 1.00 0.00 C ATOM 1048 O LYS A 70 6.928 -0.348 5.518 1.00 0.00 O ATOM 1049 CB LYS A 70 7.186 2.658 6.755 1.00 0.00 C ATOM 1050 CG LYS A 70 5.812 2.440 7.364 1.00 0.00 C ATOM 1051 CD LYS A 70 5.737 2.987 8.780 1.00 0.00 C ATOM 1052 CE LYS A 70 6.371 2.033 9.780 1.00 0.00 C ATOM 1053 NZ LYS A 70 6.557 2.670 11.113 1.00 0.00 N ATOM 0 H LYS A 70 6.965 3.932 4.642 1.00 0.00 H new ATOM 0 HA LYS A 70 8.395 1.705 5.254 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.942 2.259 7.432 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.370 3.729 6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.057 2.925 6.745 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.581 1.375 7.372 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.242 3.952 8.826 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.695 3.159 9.050 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.744 1.148 9.885 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.336 1.697 9.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.992 1.987 11.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.176 3.500 11.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.634 2.968 11.487 1.00 0.00 H new ATOM 1067 N GLN A 71 5.210 0.976 4.918 1.00 0.00 N ATOM 1068 CA GLN A 71 4.264 -0.126 4.784 1.00 0.00 C ATOM 1069 C GLN A 71 4.568 -0.956 3.541 1.00 0.00 C ATOM 1070 O GLN A 71 4.523 -2.186 3.577 1.00 0.00 O ATOM 1071 CB GLN A 71 2.833 0.408 4.718 1.00 0.00 C ATOM 1072 CG GLN A 71 2.170 0.544 6.079 1.00 0.00 C ATOM 1073 CD GLN A 71 2.401 -0.665 6.964 1.00 0.00 C ATOM 1074 OE1 GLN A 71 2.041 -1.788 6.608 1.00 0.00 O ATOM 1075 NE2 GLN A 71 3.006 -0.443 8.125 1.00 0.00 N ATOM 0 H GLN A 71 4.818 1.896 4.715 1.00 0.00 H new ATOM 0 HA GLN A 71 4.365 -0.767 5.660 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.840 1.382 4.228 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.234 -0.258 4.096 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.554 1.434 6.578 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.098 0.691 5.944 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.288 0.503 8.381 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.189 -1.219 8.761 1.00 0.00 H new ATOM 1084 N LEU A 72 4.877 -0.275 2.443 1.00 0.00 N ATOM 1085 CA LEU A 72 5.189 -0.950 1.188 1.00 0.00 C ATOM 1086 C LEU A 72 6.322 -1.953 1.375 1.00 0.00 C ATOM 1087 O LEU A 72 6.139 -3.156 1.183 1.00 0.00 O ATOM 1088 CB LEU A 72 5.570 0.074 0.117 1.00 0.00 C ATOM 1089 CG LEU A 72 6.160 -0.494 -1.175 1.00 0.00 C ATOM 1090 CD1 LEU A 72 5.344 -1.684 -1.656 1.00 0.00 C ATOM 1091 CD2 LEU A 72 6.224 0.581 -2.250 1.00 0.00 C ATOM 0 H LEU A 72 4.918 0.743 2.396 1.00 0.00 H new ATOM 0 HA LEU A 72 4.300 -1.492 0.865 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.682 0.653 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.291 0.769 0.547 1.00 0.00 H new ATOM 0 HG LEU A 72 7.175 -0.835 -0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.778 -2.075 -2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.350 -2.462 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.318 -1.369 -1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.646 0.159 -3.162 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.220 0.952 -2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.852 1.403 -1.906 1.00 0.00 H new ATOM 1103 N LEU A 73 7.493 -1.452 1.753 1.00 0.00 N ATOM 1104 CA LEU A 73 8.656 -2.304 1.969 1.00 0.00 C ATOM 1105 C LEU A 73 8.292 -3.517 2.820 1.00 0.00 C ATOM 1106 O LEU A 73 8.869 -4.594 2.664 1.00 0.00 O ATOM 1107 CB LEU A 73 9.776 -1.511 2.644 1.00 0.00 C ATOM 1108 CG LEU A 73 10.018 -0.100 2.106 1.00 0.00 C ATOM 1109 CD1 LEU A 73 11.228 0.528 2.779 1.00 0.00 C ATOM 1110 CD2 LEU A 73 10.202 -0.130 0.596 1.00 0.00 C ATOM 0 H LEU A 73 7.662 -0.459 1.916 1.00 0.00 H new ATOM 0 HA LEU A 73 9.003 -2.656 0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.552 -1.439 3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.702 -2.078 2.551 1.00 0.00 H new ATOM 0 HG LEU A 73 9.144 0.510 2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.384 1.532 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.058 0.584 3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.110 -0.081 2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.373 0.882 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.059 -0.756 0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.306 -0.538 0.128 1.00 0.00 H new ATOM 1122 N LEU A 74 7.332 -3.335 3.719 1.00 0.00 N ATOM 1123 CA LEU A 74 6.888 -4.415 4.594 1.00 0.00 C ATOM 1124 C LEU A 74 6.080 -5.449 3.817 1.00 0.00 C ATOM 1125 O LEU A 74 6.516 -6.586 3.639 1.00 0.00 O ATOM 1126 CB LEU A 74 6.050 -3.854 5.744 1.00 0.00 C ATOM 1127 CG LEU A 74 6.825 -3.403 6.983 1.00 0.00 C ATOM 1128 CD1 LEU A 74 5.927 -2.599 7.910 1.00 0.00 C ATOM 1129 CD2 LEU A 74 7.410 -4.604 7.712 1.00 0.00 C ATOM 0 H LEU A 74 6.846 -2.450 3.862 1.00 0.00 H new ATOM 0 HA LEU A 74 7.772 -4.905 5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.478 -3.005 5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.331 -4.615 6.047 1.00 0.00 H new ATOM 0 HG LEU A 74 7.647 -2.763 6.662 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.495 -2.286 8.786 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.557 -1.719 7.385 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.084 -3.215 8.225 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.958 -4.265 8.591 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.604 -5.270 8.021 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.087 -5.139 7.046 1.00 0.00 H new ATOM 1141 N ILE A 75 4.902 -5.044 3.354 1.00 0.00 N ATOM 1142 CA ILE A 75 4.034 -5.935 2.593 1.00 0.00 C ATOM 1143 C ILE A 75 4.838 -6.774 1.606 1.00 0.00 C ATOM 1144 O ILE A 75 4.442 -7.885 1.254 1.00 0.00 O ATOM 1145 CB ILE A 75 2.957 -5.148 1.823 1.00 0.00 C ATOM 1146 CG1 ILE A 75 2.081 -4.355 2.795 1.00 0.00 C ATOM 1147 CG2 ILE A 75 2.108 -6.094 0.986 1.00 0.00 C ATOM 1148 CD1 ILE A 75 1.179 -3.350 2.113 1.00 0.00 C ATOM 0 H ILE A 75 4.527 -4.106 3.492 1.00 0.00 H new ATOM 0 HA ILE A 75 3.547 -6.593 3.313 1.00 0.00 H new ATOM 0 HB ILE A 75 3.451 -4.444 1.153 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.468 -5.050 3.369 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.722 -3.833 3.506 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.351 -5.524 0.447 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.744 -6.618 0.272 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.620 -6.819 1.638 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.587 -2.825 2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.786 -2.632 1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.513 -3.868 1.423 1.00 0.00 H new ATOM 1160 N GLN A 76 5.971 -6.235 1.164 1.00 0.00 N ATOM 1161 CA GLN A 76 6.831 -6.935 0.218 1.00 0.00 C ATOM 1162 C GLN A 76 7.433 -8.185 0.852 1.00 0.00 C ATOM 1163 O GLN A 76 7.120 -9.306 0.453 1.00 0.00 O ATOM 1164 CB GLN A 76 7.946 -6.010 -0.271 1.00 0.00 C ATOM 1165 CG GLN A 76 7.526 -5.103 -1.416 1.00 0.00 C ATOM 1166 CD GLN A 76 8.702 -4.402 -2.068 1.00 0.00 C ATOM 1167 OE1 GLN A 76 9.417 -4.990 -2.880 1.00 0.00 O ATOM 1168 NE2 GLN A 76 8.908 -3.139 -1.714 1.00 0.00 N ATOM 0 H GLN A 76 6.314 -5.317 1.446 1.00 0.00 H new ATOM 0 HA GLN A 76 6.221 -7.239 -0.633 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.288 -5.395 0.562 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.795 -6.615 -0.590 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.998 -5.692 -2.166 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.824 -4.357 -1.044 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.290 -2.692 -1.037 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.684 -2.616 -2.119 1.00 0.00 H new ATOM 1177 N GLU A 77 8.298 -7.984 1.841 1.00 0.00 N ATOM 1178 CA GLU A 77 8.944 -9.096 2.529 1.00 0.00 C ATOM 1179 C GLU A 77 7.907 -10.052 3.111 1.00 0.00 C ATOM 1180 O GLU A 77 8.149 -11.254 3.222 1.00 0.00 O ATOM 1181 CB GLU A 77 9.856 -8.575 3.642 1.00 0.00 C ATOM 1182 CG GLU A 77 9.295 -7.367 4.373 1.00 0.00 C ATOM 1183 CD GLU A 77 10.020 -7.085 5.675 1.00 0.00 C ATOM 1184 OE1 GLU A 77 9.711 -7.756 6.682 1.00 0.00 O ATOM 1185 OE2 GLU A 77 10.894 -6.194 5.687 1.00 0.00 O ATOM 0 H GLU A 77 8.568 -7.062 2.184 1.00 0.00 H new ATOM 0 HA GLU A 77 9.546 -9.640 1.801 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.031 -9.375 4.361 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.824 -8.313 3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.363 -6.492 3.727 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.237 -7.530 4.578 1.00 0.00 H new ATOM 1192 N ARG A 78 6.752 -9.508 3.481 1.00 0.00 N ATOM 1193 CA ARG A 78 5.679 -10.312 4.054 1.00 0.00 C ATOM 1194 C ARG A 78 5.061 -11.226 2.999 1.00 0.00 C ATOM 1195 O ARG A 78 4.525 -12.286 3.319 1.00 0.00 O ATOM 1196 CB ARG A 78 4.601 -9.408 4.654 1.00 0.00 C ATOM 1197 CG ARG A 78 5.055 -8.662 5.898 1.00 0.00 C ATOM 1198 CD ARG A 78 5.226 -9.603 7.080 1.00 0.00 C ATOM 1199 NE ARG A 78 5.121 -8.903 8.358 1.00 0.00 N ATOM 1200 CZ ARG A 78 5.456 -9.445 9.523 1.00 0.00 C ATOM 1201 NH1 ARG A 78 5.917 -10.687 9.572 1.00 0.00 N ATOM 1202 NH2 ARG A 78 5.332 -8.744 10.643 1.00 0.00 N ATOM 0 H ARG A 78 6.536 -8.515 3.394 1.00 0.00 H new ATOM 0 HA ARG A 78 6.105 -10.932 4.843 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.285 -8.685 3.902 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.728 -10.012 4.901 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.998 -8.155 5.696 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.326 -7.891 6.148 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.469 -10.386 7.032 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.197 -10.094 7.015 1.00 0.00 H new ATOM 0 HE ARG A 78 4.771 -7.945 8.355 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.015 -11.229 8.713 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.174 -11.101 10.468 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.979 -7.788 10.610 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.590 -9.162 11.537 1.00 0.00 H new ATOM 1216 N TRP A 79 5.142 -10.807 1.741 1.00 0.00 N ATOM 1217 CA TRP A 79 4.590 -11.587 0.639 1.00 0.00 C ATOM 1218 C TRP A 79 5.526 -12.730 0.260 1.00 0.00 C ATOM 1219 O TRP A 79 5.095 -13.872 0.103 1.00 0.00 O ATOM 1220 CB TRP A 79 4.343 -10.690 -0.575 1.00 0.00 C ATOM 1221 CG TRP A 79 3.670 -11.399 -1.711 1.00 0.00 C ATOM 1222 CD1 TRP A 79 2.835 -12.477 -1.625 1.00 0.00 C ATOM 1223 CD2 TRP A 79 3.778 -11.082 -3.103 1.00 0.00 C ATOM 1224 NE1 TRP A 79 2.417 -12.849 -2.880 1.00 0.00 N ATOM 1225 CE2 TRP A 79 2.981 -12.009 -3.803 1.00 0.00 C ATOM 1226 CE3 TRP A 79 4.468 -10.106 -3.825 1.00 0.00 C ATOM 1227 CZ2 TRP A 79 2.857 -11.985 -5.190 1.00 0.00 C ATOM 1228 CZ3 TRP A 79 4.345 -10.084 -5.202 1.00 0.00 C ATOM 1229 CH2 TRP A 79 3.544 -11.018 -5.872 1.00 0.00 C ATOM 0 H TRP A 79 5.584 -9.932 1.459 1.00 0.00 H new ATOM 0 HA TRP A 79 3.641 -12.012 0.967 1.00 0.00 H new ATOM 0 HB2 TRP A 79 3.730 -9.841 -0.272 1.00 0.00 H new ATOM 0 HB3 TRP A 79 5.295 -10.288 -0.920 1.00 0.00 H new ATOM 0 HD1 TRP A 79 2.546 -12.965 -0.706 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.789 -13.625 -3.090 1.00 0.00 H new ATOM 0 HE3 TRP A 79 5.087 -9.381 -3.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 2.240 -12.704 -5.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.875 -9.334 -5.771 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.467 -10.974 -6.948 1.00 0.00 H new ATOM 1240 N LYS A 80 6.808 -12.415 0.114 1.00 0.00 N ATOM 1241 CA LYS A 80 7.806 -13.415 -0.246 1.00 0.00 C ATOM 1242 C LYS A 80 7.591 -14.705 0.539 1.00 0.00 C ATOM 1243 O LYS A 80 7.586 -15.796 -0.031 1.00 0.00 O ATOM 1244 CB LYS A 80 9.215 -12.877 0.014 1.00 0.00 C ATOM 1245 CG LYS A 80 9.506 -11.567 -0.697 1.00 0.00 C ATOM 1246 CD LYS A 80 10.862 -11.007 -0.302 1.00 0.00 C ATOM 1247 CE LYS A 80 11.122 -9.660 -0.959 1.00 0.00 C ATOM 1248 NZ LYS A 80 9.866 -8.881 -1.143 1.00 0.00 N ATOM 0 H LYS A 80 7.181 -11.474 0.240 1.00 0.00 H new ATOM 0 HA LYS A 80 7.697 -13.634 -1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.349 -12.736 1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.944 -13.623 -0.303 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.476 -11.723 -1.775 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.728 -10.842 -0.458 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.911 -10.900 0.782 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.644 -11.710 -0.588 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.819 -9.086 -0.348 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.599 -9.814 -1.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.098 -7.920 -1.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.267 -9.350 -1.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.355 -8.828 -0.239 1.00 0.00 H new ATOM 1262 N ARG A 81 7.412 -14.572 1.850 1.00 0.00 N ATOM 1263 CA ARG A 81 7.196 -15.727 2.712 1.00 0.00 C ATOM 1264 C ARG A 81 5.858 -16.393 2.405 1.00 0.00 C ATOM 1265 O ARG A 81 5.762 -17.618 2.344 1.00 0.00 O ATOM 1266 CB ARG A 81 7.243 -15.308 4.183 1.00 0.00 C ATOM 1267 CG ARG A 81 8.532 -14.605 4.575 1.00 0.00 C ATOM 1268 CD ARG A 81 8.685 -14.523 6.086 1.00 0.00 C ATOM 1269 NE ARG A 81 8.846 -15.841 6.692 1.00 0.00 N ATOM 1270 CZ ARG A 81 8.968 -16.039 8.000 1.00 0.00 C ATOM 1271 NH1 ARG A 81 8.946 -15.008 8.834 1.00 0.00 N ATOM 1272 NH2 ARG A 81 9.111 -17.269 8.476 1.00 0.00 N ATOM 0 H ARG A 81 7.412 -13.676 2.337 1.00 0.00 H new ATOM 0 HA ARG A 81 7.993 -16.446 2.520 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.401 -14.648 4.391 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.117 -16.192 4.808 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.382 -15.139 4.151 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.543 -13.600 4.152 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.548 -13.904 6.330 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.810 -14.032 6.513 1.00 0.00 H new ATOM 0 HE ARG A 81 8.866 -16.655 6.077 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.835 -14.061 8.471 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.040 -15.162 9.838 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.127 -18.064 7.837 1.00 0.00 H new ATOM 0 HH22 ARG A 81 9.205 -17.419 9.480 1.00 0.00 H new ATOM 1286 N ALA A 82 4.827 -15.576 2.212 1.00 0.00 N ATOM 1287 CA ALA A 82 3.495 -16.085 1.909 1.00 0.00 C ATOM 1288 C ALA A 82 3.518 -16.984 0.678 1.00 0.00 C ATOM 1289 O ALA A 82 2.696 -17.892 0.543 1.00 0.00 O ATOM 1290 CB ALA A 82 2.523 -14.932 1.705 1.00 0.00 C ATOM 0 H ALA A 82 4.889 -14.559 2.260 1.00 0.00 H new ATOM 0 HA ALA A 82 3.160 -16.683 2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.532 -15.327 1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.476 -14.331 2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.864 -14.311 0.876 1.00 0.00 H new ATOM 1296 N LYS A 83 4.463 -16.727 -0.220 1.00 0.00 N ATOM 1297 CA LYS A 83 4.594 -17.513 -1.441 1.00 0.00 C ATOM 1298 C LYS A 83 4.841 -18.983 -1.117 1.00 0.00 C ATOM 1299 O LYS A 83 4.228 -19.870 -1.712 1.00 0.00 O ATOM 1300 CB LYS A 83 5.738 -16.970 -2.301 1.00 0.00 C ATOM 1301 CG LYS A 83 5.604 -15.494 -2.629 1.00 0.00 C ATOM 1302 CD LYS A 83 4.746 -15.272 -3.864 1.00 0.00 C ATOM 1303 CE LYS A 83 5.582 -15.295 -5.135 1.00 0.00 C ATOM 1304 NZ LYS A 83 5.790 -16.681 -5.637 1.00 0.00 N ATOM 0 H LYS A 83 5.150 -15.979 -0.125 1.00 0.00 H new ATOM 0 HA LYS A 83 3.660 -17.433 -1.997 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.682 -17.134 -1.781 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.784 -17.538 -3.230 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.164 -14.970 -1.780 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.593 -15.065 -2.790 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.978 -16.044 -3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.231 -14.315 -3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.090 -14.700 -5.904 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.549 -14.830 -4.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.936 -16.659 -6.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.626 -17.095 -5.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.953 -17.259 -5.418 1.00 0.00 H new ATOM 1318 N ARG A 84 5.740 -19.234 -0.171 1.00 0.00 N ATOM 1319 CA ARG A 84 6.066 -20.597 0.231 1.00 0.00 C ATOM 1320 C ARG A 84 4.994 -21.162 1.157 1.00 0.00 C ATOM 1321 O ARG A 84 4.708 -22.359 1.132 1.00 0.00 O ATOM 1322 CB ARG A 84 7.428 -20.633 0.927 1.00 0.00 C ATOM 1323 CG ARG A 84 7.592 -19.569 2.000 1.00 0.00 C ATOM 1324 CD ARG A 84 8.871 -19.774 2.797 1.00 0.00 C ATOM 1325 NE ARG A 84 10.060 -19.434 2.020 1.00 0.00 N ATOM 1326 CZ ARG A 84 11.269 -19.294 2.551 1.00 0.00 C ATOM 1327 NH1 ARG A 84 11.449 -19.463 3.854 1.00 0.00 N ATOM 1328 NH2 ARG A 84 12.303 -18.984 1.779 1.00 0.00 N ATOM 0 H ARG A 84 6.256 -18.511 0.331 1.00 0.00 H new ATOM 0 HA ARG A 84 6.107 -21.214 -0.666 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.571 -21.616 1.377 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.212 -20.507 0.180 1.00 0.00 H new ATOM 0 HG2 ARG A 84 7.605 -18.582 1.537 1.00 0.00 H new ATOM 0 HG3 ARG A 84 6.735 -19.594 2.673 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.839 -19.161 3.698 1.00 0.00 H new ATOM 0 HD3 ARG A 84 8.934 -20.813 3.120 1.00 0.00 H new ATOM 0 HE ARG A 84 9.956 -19.297 1.015 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.657 -19.701 4.452 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.379 -19.355 4.259 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.170 -18.853 0.776 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.231 -18.877 2.188 1.00 0.00 H new ATOM 1342 N GLU A 85 4.405 -20.293 1.972 1.00 0.00 N ATOM 1343 CA GLU A 85 3.365 -20.707 2.907 1.00 0.00 C ATOM 1344 C GLU A 85 2.122 -21.184 2.162 1.00 0.00 C ATOM 1345 O GLU A 85 1.766 -22.360 2.218 1.00 0.00 O ATOM 1346 CB GLU A 85 3.000 -19.552 3.842 1.00 0.00 C ATOM 1347 CG GLU A 85 4.182 -19.009 4.629 1.00 0.00 C ATOM 1348 CD GLU A 85 4.398 -19.743 5.938 1.00 0.00 C ATOM 1349 OE1 GLU A 85 3.588 -19.546 6.868 1.00 0.00 O ATOM 1350 OE2 GLU A 85 5.376 -20.513 6.032 1.00 0.00 O ATOM 0 H GLU A 85 4.630 -19.299 2.004 1.00 0.00 H new ATOM 0 HA GLU A 85 3.753 -21.536 3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.563 -18.744 3.255 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.234 -19.889 4.540 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.084 -19.085 4.021 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.023 -17.950 4.833 1.00 0.00 H new ATOM 1357 N GLU A 86 1.466 -20.261 1.464 1.00 0.00 N ATOM 1358 CA GLU A 86 0.263 -20.588 0.709 1.00 0.00 C ATOM 1359 C GLU A 86 0.436 -21.900 -0.050 1.00 0.00 C ATOM 1360 O GLU A 86 -0.398 -22.801 0.048 1.00 0.00 O ATOM 1361 CB GLU A 86 -0.074 -19.461 -0.270 1.00 0.00 C ATOM 1362 CG GLU A 86 -1.517 -19.476 -0.743 1.00 0.00 C ATOM 1363 CD GLU A 86 -1.737 -18.615 -1.972 1.00 0.00 C ATOM 1364 OE1 GLU A 86 -0.786 -18.463 -2.767 1.00 0.00 O ATOM 1365 OE2 GLU A 86 -2.860 -18.094 -2.139 1.00 0.00 O ATOM 0 H GLU A 86 1.748 -19.282 1.406 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.558 -20.703 1.417 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.133 -18.503 0.207 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.584 -19.535 -1.136 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.812 -20.502 -0.965 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.163 -19.126 0.062 1.00 0.00 H new ATOM 1372 N ARG A 87 1.523 -22.000 -0.807 1.00 0.00 N ATOM 1373 CA ARG A 87 1.806 -23.201 -1.584 1.00 0.00 C ATOM 1374 C ARG A 87 1.837 -24.435 -0.687 1.00 0.00 C ATOM 1375 O ARG A 87 1.254 -25.469 -1.014 1.00 0.00 O ATOM 1376 CB ARG A 87 3.140 -23.057 -2.319 1.00 0.00 C ATOM 1377 CG ARG A 87 3.016 -22.402 -3.684 1.00 0.00 C ATOM 1378 CD ARG A 87 2.374 -23.339 -4.695 1.00 0.00 C ATOM 1379 NE ARG A 87 1.839 -22.618 -5.848 1.00 0.00 N ATOM 1380 CZ ARG A 87 1.459 -23.211 -6.974 1.00 0.00 C ATOM 1381 NH1 ARG A 87 1.553 -24.527 -7.098 1.00 0.00 N ATOM 1382 NH2 ARG A 87 0.983 -22.486 -7.978 1.00 0.00 N ATOM 0 H ARG A 87 2.223 -21.264 -0.899 1.00 0.00 H new ATOM 0 HA ARG A 87 1.008 -23.326 -2.316 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.822 -22.470 -1.704 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.588 -24.044 -2.438 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.421 -21.493 -3.600 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.003 -22.105 -4.037 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.111 -24.067 -5.033 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.572 -23.898 -4.213 1.00 0.00 H new ATOM 0 HE ARG A 87 1.753 -21.604 -5.785 1.00 0.00 H new ATOM 0 HH11 ARG A 87 1.918 -25.087 -6.328 1.00 0.00 H new ATOM 0 HH12 ARG A 87 1.260 -24.980 -7.964 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.909 -21.473 -7.885 1.00 0.00 H new ATOM 0 HH22 ARG A 87 0.691 -22.942 -8.843 1.00 0.00 H new ATOM 1396 N LEU A 88 2.522 -24.319 0.446 1.00 0.00 N ATOM 1397 CA LEU A 88 2.631 -25.424 1.391 1.00 0.00 C ATOM 1398 C LEU A 88 1.251 -25.895 1.840 1.00 0.00 C ATOM 1399 O LEU A 88 0.897 -27.062 1.675 1.00 0.00 O ATOM 1400 CB LEU A 88 3.458 -25.003 2.606 1.00 0.00 C ATOM 1401 CG LEU A 88 4.975 -25.130 2.463 1.00 0.00 C ATOM 1402 CD1 LEU A 88 5.683 -24.124 3.357 1.00 0.00 C ATOM 1403 CD2 LEU A 88 5.425 -26.547 2.790 1.00 0.00 C ATOM 0 H LEU A 88 3.010 -23.470 0.732 1.00 0.00 H new ATOM 0 HA LEU A 88 3.131 -26.251 0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.221 -23.965 2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.142 -25.602 3.460 1.00 0.00 H new ATOM 0 HG LEU A 88 5.242 -24.915 1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.762 -24.230 3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.385 -23.114 3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.410 -24.306 4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.507 -26.619 2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.145 -26.790 3.815 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.946 -27.248 2.107 1.00 0.00 H new ATOM 1415 N LYS A 89 0.474 -24.978 2.406 1.00 0.00 N ATOM 1416 CA LYS A 89 -0.869 -25.296 2.876 1.00 0.00 C ATOM 1417 C LYS A 89 -1.736 -25.817 1.733 1.00 0.00 C ATOM 1418 O LYS A 89 -2.707 -26.538 1.958 1.00 0.00 O ATOM 1419 CB LYS A 89 -1.520 -24.060 3.501 1.00 0.00 C ATOM 1420 CG LYS A 89 -1.693 -22.906 2.528 1.00 0.00 C ATOM 1421 CD LYS A 89 -2.591 -21.823 3.102 1.00 0.00 C ATOM 1422 CE LYS A 89 -1.803 -20.843 3.958 1.00 0.00 C ATOM 1423 NZ LYS A 89 -2.475 -19.516 4.042 1.00 0.00 N ATOM 0 H LYS A 89 0.752 -24.007 2.551 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.787 -26.077 3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -2.496 -24.336 3.901 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.913 -23.727 4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.718 -22.482 2.288 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.118 -23.276 1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -3.081 -21.286 2.290 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -3.378 -22.281 3.702 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.681 -21.253 4.961 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.804 -20.718 3.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.907 -18.876 4.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -2.569 -19.113 3.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -3.419 -19.631 4.463 1.00 0.00 H new ATOM 1437 N ALA A 90 -1.377 -25.447 0.508 1.00 0.00 N ATOM 1438 CA ALA A 90 -2.119 -25.880 -0.669 1.00 0.00 C ATOM 1439 C ALA A 90 -1.715 -27.290 -1.085 1.00 0.00 C ATOM 1440 O ALA A 90 -0.760 -27.856 -0.552 1.00 0.00 O ATOM 1441 CB ALA A 90 -1.903 -24.906 -1.817 1.00 0.00 C ATOM 0 H ALA A 90 -0.577 -24.848 0.305 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.179 -25.895 -0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.463 -25.242 -2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.249 -23.915 -1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.842 -24.862 -2.062 1.00 0.00 H new ATOM 1447 N HIS A 91 -2.449 -27.853 -2.040 1.00 0.00 N ATOM 1448 CA HIS A 91 -2.166 -29.199 -2.528 1.00 0.00 C ATOM 1449 C HIS A 91 -1.774 -29.171 -4.002 1.00 0.00 C ATOM 1450 O HIS A 91 -2.630 -29.064 -4.880 1.00 0.00 O ATOM 1451 CB HIS A 91 -3.383 -30.102 -2.329 1.00 0.00 C ATOM 1452 CG HIS A 91 -3.293 -31.400 -3.070 1.00 0.00 C ATOM 1453 ND1 HIS A 91 -2.410 -32.403 -2.729 1.00 0.00 N ATOM 1454 CD2 HIS A 91 -3.984 -31.858 -4.140 1.00 0.00 C ATOM 1455 CE1 HIS A 91 -2.560 -33.420 -3.558 1.00 0.00 C ATOM 1456 NE2 HIS A 91 -3.510 -33.115 -4.424 1.00 0.00 N ATOM 0 H HIS A 91 -3.243 -27.399 -2.491 1.00 0.00 H new ATOM 0 HA HIS A 91 -1.329 -29.598 -1.955 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -3.502 -30.308 -1.265 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -4.277 -29.569 -2.653 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -4.763 -31.332 -4.672 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.001 -34.344 -3.532 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.838 -33.716 -5.180 1.00 0.00 H new ATOM 1465 N SER A 92 -0.475 -29.267 -4.266 1.00 0.00 N ATOM 1466 CA SER A 92 0.031 -29.249 -5.634 1.00 0.00 C ATOM 1467 C SER A 92 -0.932 -29.961 -6.579 1.00 0.00 C ATOM 1468 O SER A 92 -1.570 -30.946 -6.208 1.00 0.00 O ATOM 1469 CB SER A 92 1.409 -29.909 -5.699 1.00 0.00 C ATOM 1470 OG SER A 92 2.393 -29.097 -5.083 1.00 0.00 O ATOM 0 H SER A 92 0.246 -29.358 -3.551 1.00 0.00 H new ATOM 0 HA SER A 92 0.119 -28.209 -5.949 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.374 -30.880 -5.206 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.681 -30.089 -6.739 1.00 0.00 H new ATOM 0 HG SER A 92 3.265 -29.542 -5.136 1.00 0.00 H new ATOM 1476 N GLY A 93 -1.033 -29.454 -7.804 1.00 0.00 N ATOM 1477 CA GLY A 93 -1.920 -30.053 -8.784 1.00 0.00 C ATOM 1478 C GLY A 93 -1.410 -31.389 -9.287 1.00 0.00 C ATOM 1479 O GLY A 93 -0.207 -31.604 -9.431 1.00 0.00 O ATOM 0 H GLY A 93 -0.516 -28.639 -8.135 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.907 -30.187 -8.342 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.038 -29.372 -9.627 1.00 0.00 H new ATOM 1483 N PRO A 94 -2.340 -32.316 -9.562 1.00 0.00 N ATOM 1484 CA PRO A 94 -2.002 -33.654 -10.055 1.00 0.00 C ATOM 1485 C PRO A 94 -1.465 -33.628 -11.482 1.00 0.00 C ATOM 1486 O PRO A 94 -0.795 -34.563 -11.920 1.00 0.00 O ATOM 1487 CB PRO A 94 -3.337 -34.400 -9.999 1.00 0.00 C ATOM 1488 CG PRO A 94 -4.372 -33.333 -10.101 1.00 0.00 C ATOM 1489 CD PRO A 94 -3.793 -32.128 -9.413 1.00 0.00 C ATOM 0 HA PRO A 94 -1.213 -34.119 -9.464 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -3.425 -35.116 -10.816 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.438 -34.962 -9.070 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -4.605 -33.113 -11.143 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -5.302 -33.645 -9.626 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -4.128 -31.200 -9.877 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -4.087 -32.084 -8.364 1.00 0.00 H new ATOM 1497 N SER A 95 -1.763 -32.551 -12.202 1.00 0.00 N ATOM 1498 CA SER A 95 -1.313 -32.405 -13.581 1.00 0.00 C ATOM 1499 C SER A 95 0.161 -32.017 -13.633 1.00 0.00 C ATOM 1500 O SER A 95 0.644 -31.257 -12.794 1.00 0.00 O ATOM 1501 CB SER A 95 -2.156 -31.354 -14.306 1.00 0.00 C ATOM 1502 OG SER A 95 -2.251 -31.642 -15.690 1.00 0.00 O ATOM 0 H SER A 95 -2.314 -31.767 -11.853 1.00 0.00 H new ATOM 0 HA SER A 95 -1.435 -33.366 -14.081 1.00 0.00 H new ATOM 0 HB2 SER A 95 -3.154 -31.320 -13.869 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.713 -30.368 -14.166 1.00 0.00 H new ATOM 0 HG SER A 95 -2.796 -30.957 -16.130 1.00 0.00 H new ATOM 1508 N SER A 96 0.871 -32.544 -14.625 1.00 0.00 N ATOM 1509 CA SER A 96 2.291 -32.256 -14.786 1.00 0.00 C ATOM 1510 C SER A 96 2.498 -30.946 -15.541 1.00 0.00 C ATOM 1511 O SER A 96 3.600 -30.399 -15.566 1.00 0.00 O ATOM 1512 CB SER A 96 2.984 -33.400 -15.528 1.00 0.00 C ATOM 1513 OG SER A 96 2.680 -33.369 -16.912 1.00 0.00 O ATOM 0 H SER A 96 0.486 -33.173 -15.330 1.00 0.00 H new ATOM 0 HA SER A 96 2.731 -32.157 -13.794 1.00 0.00 H new ATOM 0 HB2 SER A 96 4.063 -33.328 -15.388 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.671 -34.354 -15.105 1.00 0.00 H new ATOM 0 HG SER A 96 3.136 -34.109 -17.364 1.00 0.00 H new ATOM 1519 N GLY A 97 1.429 -30.449 -16.155 1.00 0.00 N ATOM 1520 CA GLY A 97 1.513 -29.208 -16.902 1.00 0.00 C ATOM 1521 C GLY A 97 0.641 -28.117 -16.314 1.00 0.00 C ATOM 1522 O GLY A 97 1.048 -27.422 -15.383 1.00 0.00 O ATOM 0 H GLY A 97 0.506 -30.884 -16.148 1.00 0.00 H new ATOM 0 HA2 GLY A 97 2.549 -28.869 -16.922 1.00 0.00 H new ATOM 0 HA3 GLY A 97 1.216 -29.389 -17.935 1.00 0.00 H new TER 1526 GLY A 97