USER MOD reduce.3.24.130724 H: found=0, std=0, add=1098, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1101 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: C 67 GLN : amide:sc= 1.19 X(o=2.2,f=1.9) USER MOD Set 1.2: C 100 SER OG : rot 76:sc= 1.02 USER MOD Set 2.1: C 43 LYS NZ :NH3+ 147:sc= 2.42 (180deg=1.5) USER MOD Set 2.2: C 54 SER OG : rot 180:sc= -0.948 USER MOD Set 3.1: C 37 MET CE :methyl -148:sc= 0 (180deg=0) USER MOD Set 3.2: C 38 ASN : amide:sc= -2.47! C(o=-2.5!,f=-2.7!) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 39:sc= 0.239 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 166:sc= 0.00818 USER MOD Single : A 14 HIS : +bothHN:sc= -1.54! C(o=-1.5!,f=-8.7!) USER MOD Single : A 15 CYS SG : rot -21:sc= -1.84! USER MOD Single : A 17 SER OG : rot -36:sc= 0.672 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 93:sc= 0.203 USER MOD Single : C 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 4 HIS : no HD1:sc= 0 X(o=0,f=-0.099) USER MOD Single : C 5 HIS : no HD1:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : C 6 HIS : no HD1:sc= 1.07 K(o=1.1,f=-4.2!) USER MOD Single : C 7 HIS : no HD1:sc= -0.155 X(o=-0.15,f=0) USER MOD Single : C 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 9 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD Single : C 15 LYS NZ :NH3+ 170:sc=-0.00161 (180deg=-0.136) USER MOD Single : C 16 MET CE :methyl -165:sc= -0.172 (180deg=-0.588) USER MOD Single : C 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 23 THR OG1 : rot -150:sc= -0.354 USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 27 GLN : amide:sc= -0.06 K(o=-0.06,f=-1.1) USER MOD Single : C 28 THR OG1 : rot 1:sc= -2.89! USER MOD Single : C 30 THR OG1 : rot 180:sc= 0.0232 USER MOD Single : C 36 GLN :FLIP amide:sc=-6.79e-05 F(o=-1.5!,f=-6.8e-05) USER MOD Single : C 40 LYS NZ :NH3+ -113:sc= -0.0103 (180deg=-0.192) USER MOD Single : C 45 HIS : no HE2:sc= 0.749 K(o=0.75,f=-2.3!) USER MOD Single : C 49 SER OG : rot 180:sc= 0.122 USER MOD Single : C 51 SER OG : rot -1:sc= 0.967 USER MOD Single : C 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 57 GLN : amide:sc= -2.78 K(o=-2.8,f=-8.6!) USER MOD Single : C 61 TYR OH : rot 180:sc= -0.279 USER MOD Single : C 62 GLN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : C 70 LYS NZ :NH3+ 173:sc= -0.195 (180deg=-0.671) USER MOD Single : C 71 LYS NZ :NH3+ 164:sc= 1.28 (180deg=1.19) USER MOD Single : C 73 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : C 75 TYR OH : rot 180:sc= 0 USER MOD Single : C 76 ASN : amide:sc= -0.395 K(o=-0.4,f=-1.2) USER MOD Single : C 80 LYS NZ :NH3+ 171:sc= 2.22 (180deg=2.1) USER MOD Single : C 83 HIS : no HD1:sc= -0.332 X(o=-0.33,f=-0.68) USER MOD Single : C 91 GLN : amide:sc= -0.0258 X(o=-0.026,f=-0.2) USER MOD Single : C 92 THR OG1 : rot 180:sc=0.000348 USER MOD Single : C 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 96 SER OG : rot -57:sc= 0.0107 USER MOD Single : C 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -24.232 -17.397 15.131 1.00 0.00 N ATOM 2 CA GLY A -1 -23.498 -16.825 16.283 1.00 0.00 C ATOM 3 C GLY A -1 -22.493 -17.799 16.856 1.00 0.00 C ATOM 4 O GLY A -1 -22.806 -18.561 17.774 1.00 0.00 O ATOM 0 H1 GLY A -1 -24.910 -16.697 14.769 1.00 0.00 H new ATOM 0 H2 GLY A -1 -23.558 -17.647 14.379 1.00 0.00 H new ATOM 0 H3 GLY A -1 -24.744 -18.250 15.434 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -22.984 -15.916 15.970 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -24.208 -16.539 17.059 1.00 0.00 H new ATOM 10 N SER A 0 -21.286 -17.778 16.312 1.00 0.00 N ATOM 11 CA SER A 0 -20.237 -18.686 16.738 1.00 0.00 C ATOM 12 C SER A 0 -19.628 -18.225 18.058 1.00 0.00 C ATOM 13 O SER A 0 -19.245 -17.064 18.209 1.00 0.00 O ATOM 14 CB SER A 0 -19.157 -18.777 15.658 1.00 0.00 C ATOM 15 OG SER A 0 -18.185 -19.757 15.983 1.00 0.00 O ATOM 0 H SER A 0 -21.009 -17.136 15.569 1.00 0.00 H new ATOM 0 HA SER A 0 -20.672 -19.674 16.890 1.00 0.00 H new ATOM 0 HB2 SER A 0 -19.617 -19.021 14.700 1.00 0.00 H new ATOM 0 HB3 SER A 0 -18.674 -17.807 15.541 1.00 0.00 H new ATOM 0 HG SER A 0 -17.509 -19.794 15.275 1.00 0.00 H new ATOM 21 N MET A 1 -19.550 -19.140 19.012 1.00 0.00 N ATOM 22 CA MET A 1 -18.968 -18.850 20.314 1.00 0.00 C ATOM 23 C MET A 1 -17.489 -19.218 20.326 1.00 0.00 C ATOM 24 O MET A 1 -16.766 -18.919 21.278 1.00 0.00 O ATOM 25 CB MET A 1 -19.708 -19.621 21.410 1.00 0.00 C ATOM 26 CG MET A 1 -21.181 -19.262 21.514 1.00 0.00 C ATOM 27 SD MET A 1 -22.055 -20.258 22.737 1.00 0.00 S ATOM 28 CE MET A 1 -23.690 -19.533 22.649 1.00 0.00 C ATOM 0 H MET A 1 -19.885 -20.098 18.907 1.00 0.00 H new ATOM 0 HA MET A 1 -19.066 -17.782 20.507 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.615 -20.690 21.217 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.226 -19.427 22.368 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.276 -18.208 21.775 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.653 -19.394 20.540 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.352 -20.042 23.350 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.633 -18.475 22.906 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.081 -19.640 21.637 1.00 0.00 H new ATOM 38 N ALA A 2 -17.049 -19.863 19.253 1.00 0.00 N ATOM 39 CA ALA A 2 -15.666 -20.292 19.126 1.00 0.00 C ATOM 40 C ALA A 2 -15.222 -20.225 17.672 1.00 0.00 C ATOM 41 O ALA A 2 -15.244 -21.229 16.958 1.00 0.00 O ATOM 42 CB ALA A 2 -15.495 -21.702 19.672 1.00 0.00 C ATOM 0 H ALA A 2 -17.636 -20.101 18.454 1.00 0.00 H new ATOM 0 HA ALA A 2 -15.039 -19.619 19.710 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.454 -22.008 19.569 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.777 -21.721 20.725 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.132 -22.388 19.113 1.00 0.00 H new ATOM 48 N GLU A 3 -14.838 -19.039 17.230 1.00 0.00 N ATOM 49 CA GLU A 3 -14.410 -18.849 15.854 1.00 0.00 C ATOM 50 C GLU A 3 -12.900 -19.012 15.739 1.00 0.00 C ATOM 51 O GLU A 3 -12.151 -18.608 16.629 1.00 0.00 O ATOM 52 CB GLU A 3 -14.842 -17.473 15.317 1.00 0.00 C ATOM 53 CG GLU A 3 -14.250 -16.277 16.058 1.00 0.00 C ATOM 54 CD GLU A 3 -14.888 -16.038 17.411 1.00 0.00 C ATOM 55 OE1 GLU A 3 -15.928 -15.349 17.469 1.00 0.00 O ATOM 56 OE2 GLU A 3 -14.353 -16.535 18.424 1.00 0.00 O ATOM 0 H GLU A 3 -14.814 -18.195 17.802 1.00 0.00 H new ATOM 0 HA GLU A 3 -14.894 -19.613 15.246 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.561 -17.405 14.266 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.929 -17.407 15.362 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.180 -16.434 16.191 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.368 -15.383 15.445 1.00 0.00 H new ATOM 63 N ALA A 4 -12.463 -19.628 14.655 1.00 0.00 N ATOM 64 CA ALA A 4 -11.046 -19.813 14.404 1.00 0.00 C ATOM 65 C ALA A 4 -10.599 -18.910 13.263 1.00 0.00 C ATOM 66 O ALA A 4 -10.775 -19.243 12.089 1.00 0.00 O ATOM 67 CB ALA A 4 -10.749 -21.271 14.085 1.00 0.00 C ATOM 0 H ALA A 4 -13.073 -20.010 13.932 1.00 0.00 H new ATOM 0 HA ALA A 4 -10.489 -19.542 15.301 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -9.682 -21.393 13.899 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -11.044 -21.895 14.928 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -11.308 -21.571 13.199 1.00 0.00 H new ATOM 73 N SER A 5 -10.041 -17.759 13.611 1.00 0.00 N ATOM 74 CA SER A 5 -9.636 -16.779 12.618 1.00 0.00 C ATOM 75 C SER A 5 -8.782 -15.683 13.251 1.00 0.00 C ATOM 76 O SER A 5 -9.219 -15.018 14.191 1.00 0.00 O ATOM 77 CB SER A 5 -10.883 -16.160 11.978 1.00 0.00 C ATOM 78 OG SER A 5 -11.771 -15.665 12.970 1.00 0.00 O ATOM 0 H SER A 5 -9.859 -17.482 14.576 1.00 0.00 H new ATOM 0 HA SER A 5 -9.039 -17.280 11.856 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.590 -15.350 11.310 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.392 -16.907 11.369 1.00 0.00 H new ATOM 0 HG SER A 5 -11.255 -15.256 13.696 1.00 0.00 H new ATOM 84 N PRO A 6 -7.548 -15.486 12.746 1.00 0.00 N ATOM 85 CA PRO A 6 -6.686 -14.381 13.177 1.00 0.00 C ATOM 86 C PRO A 6 -7.369 -13.043 12.945 1.00 0.00 C ATOM 87 O PRO A 6 -7.228 -12.105 13.725 1.00 0.00 O ATOM 88 CB PRO A 6 -5.446 -14.510 12.304 1.00 0.00 C ATOM 89 CG PRO A 6 -5.454 -15.917 11.811 1.00 0.00 C ATOM 90 CD PRO A 6 -6.897 -16.325 11.725 1.00 0.00 C ATOM 0 HA PRO A 6 -6.454 -14.425 14.241 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.474 -13.803 11.475 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -4.541 -14.298 12.873 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -4.970 -15.990 10.837 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -4.905 -16.570 12.490 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.308 -16.142 10.732 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.028 -17.387 11.934 1.00 0.00 H new ATOM 98 N HIS A 7 -8.107 -12.973 11.849 1.00 0.00 N ATOM 99 CA HIS A 7 -9.007 -11.865 11.581 1.00 0.00 C ATOM 100 C HIS A 7 -10.322 -12.434 11.063 1.00 0.00 C ATOM 101 O HIS A 7 -10.334 -13.162 10.071 1.00 0.00 O ATOM 102 CB HIS A 7 -8.412 -10.881 10.564 1.00 0.00 C ATOM 103 CG HIS A 7 -7.255 -10.080 11.084 1.00 0.00 C ATOM 104 ND1 HIS A 7 -7.394 -8.818 11.618 1.00 0.00 N ATOM 105 CD2 HIS A 7 -5.934 -10.368 11.145 1.00 0.00 C ATOM 106 CE1 HIS A 7 -6.212 -8.364 11.985 1.00 0.00 C ATOM 107 NE2 HIS A 7 -5.308 -9.286 11.711 1.00 0.00 N ATOM 0 H HIS A 7 -8.098 -13.685 11.119 1.00 0.00 H new ATOM 0 HA HIS A 7 -9.169 -11.307 12.503 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -8.088 -11.437 9.685 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -9.195 -10.197 10.237 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -5.461 -11.279 10.811 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -6.017 -7.401 12.434 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -4.307 -9.207 11.891 1.00 0.00 H new ATOM 116 N PRO A 8 -11.439 -12.126 11.733 1.00 0.00 N ATOM 117 CA PRO A 8 -12.755 -12.697 11.412 1.00 0.00 C ATOM 118 C PRO A 8 -13.408 -12.078 10.176 1.00 0.00 C ATOM 119 O PRO A 8 -14.616 -11.850 10.152 1.00 0.00 O ATOM 120 CB PRO A 8 -13.559 -12.377 12.647 1.00 0.00 C ATOM 121 CG PRO A 8 -13.003 -11.082 13.116 1.00 0.00 C ATOM 122 CD PRO A 8 -11.523 -11.181 12.867 1.00 0.00 C ATOM 0 HA PRO A 8 -12.686 -13.758 11.171 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -14.622 -12.296 12.421 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -13.453 -13.154 13.404 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -13.440 -10.245 12.572 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -13.216 -10.921 14.173 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.090 -10.212 12.618 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -10.990 -11.553 13.742 1.00 0.00 H new ATOM 130 N GLY A 9 -12.608 -11.831 9.148 1.00 0.00 N ATOM 131 CA GLY A 9 -13.104 -11.179 7.952 1.00 0.00 C ATOM 132 C GLY A 9 -13.433 -9.734 8.199 1.00 0.00 C ATOM 133 O GLY A 9 -14.499 -9.386 8.716 1.00 0.00 O ATOM 0 H GLY A 9 -11.617 -12.072 9.121 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -12.356 -11.252 7.162 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -13.994 -11.699 7.597 1.00 0.00 H new ATOM 137 N ARG A 10 -12.512 -8.909 7.805 1.00 0.00 N ATOM 138 CA ARG A 10 -12.567 -7.488 8.105 1.00 0.00 C ATOM 139 C ARG A 10 -11.651 -6.697 7.172 1.00 0.00 C ATOM 140 O ARG A 10 -10.516 -6.364 7.520 1.00 0.00 O ATOM 141 CB ARG A 10 -12.175 -7.278 9.573 1.00 0.00 C ATOM 142 CG ARG A 10 -12.336 -5.854 10.062 1.00 0.00 C ATOM 143 CD ARG A 10 -12.063 -5.743 11.555 1.00 0.00 C ATOM 144 NE ARG A 10 -13.105 -6.392 12.358 1.00 0.00 N ATOM 145 CZ ARG A 10 -13.023 -6.594 13.679 1.00 0.00 C ATOM 146 NH1 ARG A 10 -11.942 -6.222 14.351 1.00 0.00 N ATOM 147 NH2 ARG A 10 -14.031 -7.165 14.328 1.00 0.00 N ATOM 0 H ARG A 10 -11.694 -9.190 7.264 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.581 -7.121 7.946 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.781 -7.935 10.197 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.136 -7.581 9.707 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.654 -5.202 9.517 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.347 -5.507 9.849 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.098 -6.196 11.781 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.995 -4.691 11.833 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.947 -6.710 11.879 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.165 -5.778 13.862 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.888 -6.380 15.357 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.868 -7.450 13.820 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.968 -7.319 15.334 1.00 0.00 H new ATOM 161 N TYR A 11 -12.155 -6.413 5.978 1.00 0.00 N ATOM 162 CA TYR A 11 -11.450 -5.565 5.023 1.00 0.00 C ATOM 163 C TYR A 11 -12.251 -4.316 4.758 1.00 0.00 C ATOM 164 O TYR A 11 -13.476 -4.340 4.802 1.00 0.00 O ATOM 165 CB TYR A 11 -11.212 -6.261 3.677 1.00 0.00 C ATOM 166 CG TYR A 11 -10.064 -7.230 3.672 1.00 0.00 C ATOM 167 CD1 TYR A 11 -9.995 -8.269 4.586 1.00 0.00 C ATOM 168 CD2 TYR A 11 -9.031 -7.082 2.762 1.00 0.00 C ATOM 169 CE1 TYR A 11 -8.923 -9.140 4.588 1.00 0.00 C ATOM 170 CE2 TYR A 11 -7.953 -7.940 2.760 1.00 0.00 C ATOM 171 CZ TYR A 11 -7.902 -8.969 3.674 1.00 0.00 C ATOM 172 OH TYR A 11 -6.822 -9.820 3.680 1.00 0.00 O ATOM 0 H TYR A 11 -13.055 -6.760 5.646 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.484 -5.333 5.471 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -12.120 -6.792 3.391 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.033 -5.501 2.916 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.789 -8.399 5.306 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -9.071 -6.279 2.041 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.883 -9.951 5.301 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.153 -7.807 2.046 1.00 0.00 H new ATOM 0 HH TYR A 11 -6.317 -9.714 2.847 1.00 0.00 H new ATOM 182 N PHE A 12 -11.570 -3.227 4.480 1.00 0.00 N ATOM 183 CA PHE A 12 -12.261 -2.026 4.083 1.00 0.00 C ATOM 184 C PHE A 12 -11.851 -1.617 2.675 1.00 0.00 C ATOM 185 O PHE A 12 -10.685 -1.328 2.415 1.00 0.00 O ATOM 186 CB PHE A 12 -12.017 -0.880 5.062 1.00 0.00 C ATOM 187 CG PHE A 12 -12.972 0.251 4.853 1.00 0.00 C ATOM 188 CD1 PHE A 12 -14.307 0.101 5.204 1.00 0.00 C ATOM 189 CD2 PHE A 12 -12.548 1.449 4.295 1.00 0.00 C ATOM 190 CE1 PHE A 12 -15.201 1.134 4.997 1.00 0.00 C ATOM 191 CE2 PHE A 12 -13.437 2.483 4.090 1.00 0.00 C ATOM 192 CZ PHE A 12 -14.765 2.330 4.439 1.00 0.00 C ATOM 0 H PHE A 12 -10.554 -3.150 4.521 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.329 -2.245 4.093 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.111 -1.250 6.083 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.996 -0.517 4.948 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.648 -0.826 5.640 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -11.511 1.573 4.019 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -16.239 1.012 5.269 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.095 3.412 3.657 1.00 0.00 H new ATOM 0 HZ PHE A 12 -15.463 3.138 4.279 1.00 0.00 H new ATOM 202 N CYS A 13 -12.808 -1.638 1.765 1.00 0.00 N ATOM 203 CA CYS A 13 -12.591 -1.139 0.419 1.00 0.00 C ATOM 204 C CYS A 13 -12.997 0.318 0.351 1.00 0.00 C ATOM 205 O CYS A 13 -14.079 0.697 0.800 1.00 0.00 O ATOM 206 CB CYS A 13 -13.376 -1.958 -0.594 1.00 0.00 C ATOM 207 SG CYS A 13 -13.861 -1.054 -2.080 1.00 0.00 S ATOM 0 H CYS A 13 -13.747 -1.997 1.935 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.533 -1.230 0.174 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -12.776 -2.819 -0.888 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -14.273 -2.345 -0.111 1.00 0.00 H new ATOM 212 N HIS A 14 -12.133 1.132 -0.215 1.00 0.00 N ATOM 213 CA HIS A 14 -12.290 2.563 -0.139 1.00 0.00 C ATOM 214 C HIS A 14 -13.192 3.134 -1.226 1.00 0.00 C ATOM 215 O HIS A 14 -13.819 4.168 -1.012 1.00 0.00 O ATOM 216 CB HIS A 14 -10.920 3.205 -0.167 1.00 0.00 C ATOM 217 CG HIS A 14 -10.120 2.898 1.063 1.00 0.00 C ATOM 218 ND1 HIS A 14 -9.989 3.774 2.110 1.00 0.00 N ATOM 219 CD2 HIS A 14 -9.418 1.791 1.413 1.00 0.00 C ATOM 220 CE1 HIS A 14 -9.241 3.227 3.050 1.00 0.00 C ATOM 221 NE2 HIS A 14 -8.880 2.024 2.653 1.00 0.00 N ATOM 0 H HIS A 14 -11.312 0.823 -0.735 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.795 2.794 0.799 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -10.377 2.858 -1.046 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -11.030 4.285 -0.266 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -10.405 4.704 2.155 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -9.304 0.893 0.824 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.970 3.689 3.988 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -8.297 1.374 3.180 1.00 0.00 H new ATOM 230 N CYS A 15 -13.284 2.478 -2.381 1.00 0.00 N ATOM 231 CA CYS A 15 -14.159 2.961 -3.429 1.00 0.00 C ATOM 232 C CYS A 15 -15.621 2.743 -3.042 1.00 0.00 C ATOM 233 O CYS A 15 -16.496 3.514 -3.433 1.00 0.00 O ATOM 234 CB CYS A 15 -13.824 2.281 -4.753 1.00 0.00 C ATOM 235 SG CYS A 15 -14.084 0.498 -4.784 1.00 0.00 S ATOM 0 H CYS A 15 -12.770 1.626 -2.606 1.00 0.00 H new ATOM 0 HA CYS A 15 -14.004 4.032 -3.556 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -14.428 2.734 -5.539 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -12.781 2.485 -4.995 1.00 0.00 H new ATOM 0 HG CYS A 15 -14.080 0.038 -3.568 1.00 0.00 H new ATOM 241 N CYS A 16 -15.879 1.691 -2.266 1.00 0.00 N ATOM 242 CA CYS A 16 -17.210 1.476 -1.706 1.00 0.00 C ATOM 243 C CYS A 16 -17.383 2.293 -0.430 1.00 0.00 C ATOM 244 O CYS A 16 -18.475 2.757 -0.118 1.00 0.00 O ATOM 245 CB CYS A 16 -17.452 -0.006 -1.385 1.00 0.00 C ATOM 246 SG CYS A 16 -17.545 -1.091 -2.826 1.00 0.00 S ATOM 0 H CYS A 16 -15.191 0.982 -2.013 1.00 0.00 H new ATOM 0 HA CYS A 16 -17.935 1.795 -2.455 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -16.651 -0.357 -0.735 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -18.381 -0.094 -0.822 1.00 0.00 H new ATOM 251 N SER A 17 -16.275 2.450 0.295 1.00 0.00 N ATOM 252 CA SER A 17 -16.261 3.089 1.610 1.00 0.00 C ATOM 253 C SER A 17 -17.198 2.350 2.563 1.00 0.00 C ATOM 254 O SER A 17 -17.830 2.943 3.440 1.00 0.00 O ATOM 255 CB SER A 17 -16.650 4.562 1.523 1.00 0.00 C ATOM 256 OG SER A 17 -16.210 5.140 0.302 1.00 0.00 O ATOM 0 H SER A 17 -15.356 2.135 -0.016 1.00 0.00 H new ATOM 0 HA SER A 17 -15.243 3.038 1.995 1.00 0.00 H new ATOM 0 HB2 SER A 17 -17.732 4.660 1.605 1.00 0.00 H new ATOM 0 HB3 SER A 17 -16.216 5.105 2.362 1.00 0.00 H new ATOM 0 HG SER A 17 -15.342 4.759 0.054 1.00 0.00 H new ATOM 262 N VAL A 18 -17.266 1.039 2.380 1.00 0.00 N ATOM 263 CA VAL A 18 -18.058 0.168 3.229 1.00 0.00 C ATOM 264 C VAL A 18 -17.251 -1.091 3.489 1.00 0.00 C ATOM 265 O VAL A 18 -16.495 -1.534 2.619 1.00 0.00 O ATOM 266 CB VAL A 18 -19.404 -0.219 2.580 1.00 0.00 C ATOM 267 CG1 VAL A 18 -20.297 -0.940 3.580 1.00 0.00 C ATOM 268 CG2 VAL A 18 -20.118 0.998 2.014 1.00 0.00 C ATOM 0 H VAL A 18 -16.770 0.550 1.635 1.00 0.00 H new ATOM 0 HA VAL A 18 -18.285 0.700 4.153 1.00 0.00 H new ATOM 0 HB VAL A 18 -19.188 -0.896 1.754 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -21.240 -1.204 3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -19.799 -1.846 3.925 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -20.492 -0.287 4.431 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -21.062 0.690 1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -20.313 1.711 2.815 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -19.491 1.467 1.256 1.00 0.00 H new ATOM 278 N GLU A 19 -17.392 -1.649 4.678 1.00 0.00 N ATOM 279 CA GLU A 19 -16.579 -2.778 5.090 1.00 0.00 C ATOM 280 C GLU A 19 -16.990 -4.065 4.385 1.00 0.00 C ATOM 281 O GLU A 19 -18.169 -4.288 4.099 1.00 0.00 O ATOM 282 CB GLU A 19 -16.661 -2.961 6.594 1.00 0.00 C ATOM 283 CG GLU A 19 -15.610 -3.883 7.111 1.00 0.00 C ATOM 284 CD GLU A 19 -15.770 -4.193 8.589 1.00 0.00 C ATOM 285 OE1 GLU A 19 -15.464 -3.315 9.427 1.00 0.00 O ATOM 286 OE2 GLU A 19 -16.221 -5.309 8.920 1.00 0.00 O ATOM 0 H GLU A 19 -18.065 -1.337 5.378 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.550 -2.560 4.805 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.562 -1.991 7.081 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.644 -3.351 6.857 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -15.640 -4.814 6.545 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.629 -3.439 6.942 1.00 0.00 H new ATOM 293 N ILE A 20 -16.002 -4.915 4.123 1.00 0.00 N ATOM 294 CA ILE A 20 -16.193 -6.114 3.315 1.00 0.00 C ATOM 295 C ILE A 20 -15.502 -7.329 3.937 1.00 0.00 C ATOM 296 O ILE A 20 -14.691 -7.206 4.862 1.00 0.00 O ATOM 297 CB ILE A 20 -15.590 -5.934 1.902 1.00 0.00 C ATOM 298 CG1 ILE A 20 -14.106 -6.280 1.961 1.00 0.00 C ATOM 299 CG2 ILE A 20 -15.779 -4.509 1.456 1.00 0.00 C ATOM 300 CD1 ILE A 20 -13.460 -6.581 0.645 1.00 0.00 C ATOM 0 H ILE A 20 -15.049 -4.792 4.464 1.00 0.00 H new ATOM 0 HA ILE A 20 -17.270 -6.274 3.263 1.00 0.00 H new ATOM 0 HB ILE A 20 -16.088 -6.591 1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -13.575 -5.448 2.424 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.978 -7.143 2.614 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -15.355 -4.380 0.460 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -16.843 -4.274 1.430 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -15.276 -3.840 2.154 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.407 -6.814 0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -13.956 -7.435 0.183 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -13.547 -5.714 -0.010 1.00 0.00 H new ATOM 312 N VAL A 21 -15.844 -8.493 3.409 1.00 0.00 N ATOM 313 CA VAL A 21 -15.033 -9.685 3.532 1.00 0.00 C ATOM 314 C VAL A 21 -14.722 -10.159 2.127 1.00 0.00 C ATOM 315 O VAL A 21 -15.599 -10.587 1.379 1.00 0.00 O ATOM 316 CB VAL A 21 -15.713 -10.811 4.333 1.00 0.00 C ATOM 317 CG1 VAL A 21 -14.774 -12.000 4.486 1.00 0.00 C ATOM 318 CG2 VAL A 21 -16.162 -10.311 5.695 1.00 0.00 C ATOM 0 H VAL A 21 -16.703 -8.634 2.878 1.00 0.00 H new ATOM 0 HA VAL A 21 -14.130 -9.436 4.090 1.00 0.00 H new ATOM 0 HB VAL A 21 -16.595 -11.134 3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -15.271 -12.786 5.055 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -14.505 -12.380 3.501 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -13.873 -11.686 5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -16.639 -11.124 6.242 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -15.297 -9.955 6.255 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -16.872 -9.494 5.567 1.00 0.00 H new ATOM 328 N PRO A 22 -13.456 -10.038 1.774 1.00 0.00 N ATOM 329 CA PRO A 22 -12.967 -10.174 0.411 1.00 0.00 C ATOM 330 C PRO A 22 -13.030 -11.568 -0.172 1.00 0.00 C ATOM 331 O PRO A 22 -13.354 -12.551 0.491 1.00 0.00 O ATOM 332 CB PRO A 22 -11.510 -9.758 0.517 1.00 0.00 C ATOM 333 CG PRO A 22 -11.157 -9.886 1.951 1.00 0.00 C ATOM 334 CD PRO A 22 -12.384 -9.745 2.719 1.00 0.00 C ATOM 0 HA PRO A 22 -13.591 -9.579 -0.256 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.876 -10.394 -0.100 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -11.369 -8.735 0.169 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -10.692 -10.852 2.146 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -10.435 -9.121 2.238 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.403 -10.434 3.563 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.481 -8.739 3.127 1.00 0.00 H new ATOM 342 N ARG A 23 -12.657 -11.612 -1.432 1.00 0.00 N ATOM 343 CA ARG A 23 -12.531 -12.835 -2.183 1.00 0.00 C ATOM 344 C ARG A 23 -11.038 -13.070 -2.396 1.00 0.00 C ATOM 345 O ARG A 23 -10.539 -13.214 -3.512 1.00 0.00 O ATOM 346 CB ARG A 23 -13.354 -12.759 -3.472 1.00 0.00 C ATOM 347 CG ARG A 23 -14.848 -12.715 -3.226 1.00 0.00 C ATOM 348 CD ARG A 23 -15.515 -11.714 -4.123 1.00 0.00 C ATOM 349 NE ARG A 23 -16.937 -11.546 -3.826 1.00 0.00 N ATOM 350 CZ ARG A 23 -17.821 -11.034 -4.685 1.00 0.00 C ATOM 351 NH1 ARG A 23 -17.452 -10.733 -5.925 1.00 0.00 N ATOM 352 NH2 ARG A 23 -19.079 -10.848 -4.308 1.00 0.00 N ATOM 0 H ARG A 23 -12.428 -10.778 -1.972 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.939 -13.695 -1.652 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.059 -11.872 -4.032 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.121 -13.622 -4.096 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.277 -13.703 -3.396 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.041 -12.459 -2.184 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.012 -10.752 -4.024 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.400 -12.029 -5.160 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.273 -11.837 -2.908 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.490 -10.893 -6.224 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.131 -10.342 -6.578 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.370 -11.096 -3.362 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.755 -10.457 -4.964 1.00 0.00 H new ATOM 366 N LEU A 24 -10.364 -12.942 -1.246 1.00 0.00 N ATOM 367 CA LEU A 24 -8.944 -13.258 -0.973 1.00 0.00 C ATOM 368 C LEU A 24 -8.120 -13.828 -2.135 1.00 0.00 C ATOM 369 O LEU A 24 -7.086 -13.242 -2.450 1.00 0.00 O ATOM 370 CB LEU A 24 -8.871 -14.196 0.244 1.00 0.00 C ATOM 371 CG LEU A 24 -8.042 -13.707 1.439 1.00 0.00 C ATOM 372 CD1 LEU A 24 -6.565 -13.669 1.094 1.00 0.00 C ATOM 373 CD2 LEU A 24 -8.520 -12.341 1.906 1.00 0.00 C ATOM 0 H LEU A 24 -10.830 -12.587 -0.411 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.473 -12.293 -0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.887 -14.386 0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.463 -15.151 -0.086 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.181 -14.414 2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.999 -13.319 1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.229 -14.669 0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.404 -12.991 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.918 -12.015 2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.420 -11.623 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.566 -12.405 2.207 1.00 0.00 H new ATOM 385 N PRO A 25 -8.494 -14.982 -2.751 1.00 0.00 N ATOM 386 CA PRO A 25 -7.779 -15.530 -3.916 1.00 0.00 C ATOM 387 C PRO A 25 -7.289 -14.462 -4.898 1.00 0.00 C ATOM 388 O PRO A 25 -6.231 -14.602 -5.511 1.00 0.00 O ATOM 389 CB PRO A 25 -8.840 -16.397 -4.562 1.00 0.00 C ATOM 390 CG PRO A 25 -9.592 -16.958 -3.409 1.00 0.00 C ATOM 391 CD PRO A 25 -9.607 -15.879 -2.356 1.00 0.00 C ATOM 0 HA PRO A 25 -6.868 -16.053 -3.625 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.488 -15.814 -5.217 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -8.396 -17.184 -5.171 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.606 -17.232 -3.701 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.113 -17.862 -3.034 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.560 -15.350 -2.339 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.454 -16.291 -1.359 1.00 0.00 H new ATOM 399 N ASP A 26 -8.063 -13.395 -5.028 1.00 0.00 N ATOM 400 CA ASP A 26 -7.723 -12.291 -5.911 1.00 0.00 C ATOM 401 C ASP A 26 -7.451 -11.007 -5.133 1.00 0.00 C ATOM 402 O ASP A 26 -6.808 -10.083 -5.634 1.00 0.00 O ATOM 403 CB ASP A 26 -8.886 -12.036 -6.833 1.00 0.00 C ATOM 404 CG ASP A 26 -8.592 -12.354 -8.283 1.00 0.00 C ATOM 405 OD1 ASP A 26 -8.109 -11.457 -9.007 1.00 0.00 O ATOM 406 OD2 ASP A 26 -8.850 -13.497 -8.711 1.00 0.00 O ATOM 0 H ASP A 26 -8.942 -13.271 -4.526 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.822 -12.565 -6.460 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -9.737 -12.633 -6.504 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.180 -10.990 -6.752 1.00 0.00 H new ATOM 411 N TYR A 27 -7.971 -10.970 -3.912 1.00 0.00 N ATOM 412 CA TYR A 27 -8.009 -9.756 -3.090 1.00 0.00 C ATOM 413 C TYR A 27 -8.908 -8.729 -3.733 1.00 0.00 C ATOM 414 O TYR A 27 -8.515 -7.601 -4.025 1.00 0.00 O ATOM 415 CB TYR A 27 -6.633 -9.164 -2.834 1.00 0.00 C ATOM 416 CG TYR A 27 -5.781 -9.998 -1.916 1.00 0.00 C ATOM 417 CD1 TYR A 27 -5.975 -9.959 -0.546 1.00 0.00 C ATOM 418 CD2 TYR A 27 -4.780 -10.809 -2.416 1.00 0.00 C ATOM 419 CE1 TYR A 27 -5.191 -10.706 0.306 1.00 0.00 C ATOM 420 CE2 TYR A 27 -3.987 -11.562 -1.575 1.00 0.00 C ATOM 421 CZ TYR A 27 -4.193 -11.508 -0.213 1.00 0.00 C ATOM 422 OH TYR A 27 -3.401 -12.256 0.634 1.00 0.00 O ATOM 0 H TYR A 27 -8.382 -11.785 -3.457 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.408 -10.044 -2.117 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.116 -9.042 -3.786 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.749 -8.169 -2.405 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.754 -9.332 -0.138 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.616 -10.854 -3.483 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.356 -10.665 1.373 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.209 -12.191 -1.982 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.749 -12.765 0.108 1.00 0.00 H new ATOM 432 N ILE A 28 -10.120 -9.164 -3.949 1.00 0.00 N ATOM 433 CA ILE A 28 -11.175 -8.332 -4.486 1.00 0.00 C ATOM 434 C ILE A 28 -12.197 -8.051 -3.409 1.00 0.00 C ATOM 435 O ILE A 28 -12.273 -8.753 -2.400 1.00 0.00 O ATOM 436 CB ILE A 28 -11.897 -9.013 -5.659 1.00 0.00 C ATOM 437 CG1 ILE A 28 -11.714 -10.517 -5.534 1.00 0.00 C ATOM 438 CG2 ILE A 28 -11.381 -8.489 -6.987 1.00 0.00 C ATOM 439 CD1 ILE A 28 -12.748 -11.351 -6.244 1.00 0.00 C ATOM 0 H ILE A 28 -10.412 -10.122 -3.755 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.713 -7.411 -4.841 1.00 0.00 H new ATOM 0 HB ILE A 28 -12.962 -8.783 -5.626 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.730 -10.780 -5.921 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -11.721 -10.781 -4.476 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.906 -8.985 -7.803 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.553 -7.414 -7.045 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.313 -8.691 -7.067 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.529 -12.408 -6.094 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -13.736 -11.125 -5.843 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -12.729 -11.124 -7.310 1.00 0.00 H new ATOM 451 N CYS A 29 -12.994 -7.048 -3.656 1.00 0.00 N ATOM 452 CA CYS A 29 -14.050 -6.655 -2.759 1.00 0.00 C ATOM 453 C CYS A 29 -15.347 -7.273 -3.260 1.00 0.00 C ATOM 454 O CYS A 29 -15.528 -7.460 -4.450 1.00 0.00 O ATOM 455 CB CYS A 29 -14.088 -5.122 -2.760 1.00 0.00 C ATOM 456 SG CYS A 29 -15.617 -4.322 -2.221 1.00 0.00 S ATOM 0 H CYS A 29 -12.929 -6.472 -4.496 1.00 0.00 H new ATOM 0 HA CYS A 29 -13.895 -6.999 -1.736 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -13.279 -4.766 -2.122 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -13.869 -4.781 -3.772 1.00 0.00 H new ATOM 461 N PRO A 30 -16.253 -7.620 -2.357 1.00 0.00 N ATOM 462 CA PRO A 30 -17.497 -8.281 -2.704 1.00 0.00 C ATOM 463 C PRO A 30 -18.478 -7.228 -3.141 1.00 0.00 C ATOM 464 O PRO A 30 -19.474 -7.487 -3.812 1.00 0.00 O ATOM 465 CB PRO A 30 -17.922 -8.899 -1.372 1.00 0.00 C ATOM 466 CG PRO A 30 -17.444 -7.909 -0.362 1.00 0.00 C ATOM 467 CD PRO A 30 -16.176 -7.330 -0.929 1.00 0.00 C ATOM 0 HA PRO A 30 -17.426 -9.016 -3.506 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -19.002 -9.037 -1.320 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -17.468 -9.878 -1.221 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.189 -7.131 -0.193 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.260 -8.388 0.600 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.111 -6.258 -0.744 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.294 -7.785 -0.478 1.00 0.00 H new ATOM 475 N ARG A 31 -18.156 -6.016 -2.722 1.00 0.00 N ATOM 476 CA ARG A 31 -18.993 -4.872 -3.005 1.00 0.00 C ATOM 477 C ARG A 31 -18.770 -4.262 -4.389 1.00 0.00 C ATOM 478 O ARG A 31 -19.662 -3.612 -4.929 1.00 0.00 O ATOM 479 CB ARG A 31 -18.846 -3.858 -1.932 1.00 0.00 C ATOM 480 CG ARG A 31 -19.379 -4.419 -0.658 1.00 0.00 C ATOM 481 CD ARG A 31 -19.338 -3.430 0.488 1.00 0.00 C ATOM 482 NE ARG A 31 -19.825 -4.022 1.733 1.00 0.00 N ATOM 483 CZ ARG A 31 -21.078 -3.911 2.177 1.00 0.00 C ATOM 484 NH1 ARG A 31 -21.976 -3.209 1.492 1.00 0.00 N ATOM 485 NH2 ARG A 31 -21.429 -4.496 3.316 1.00 0.00 N ATOM 0 H ARG A 31 -17.317 -5.803 -2.183 1.00 0.00 H new ATOM 0 HA ARG A 31 -20.021 -5.235 -3.022 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -17.798 -3.585 -1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -19.385 -2.948 -2.197 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -20.408 -4.744 -0.813 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -18.802 -5.304 -0.388 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -18.316 -3.078 0.628 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -19.944 -2.559 0.238 1.00 0.00 H new ATOM 0 HE ARG A 31 -19.164 -4.554 2.299 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -21.709 -2.751 0.621 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -22.932 -3.129 1.838 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -20.741 -5.028 3.849 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -22.386 -4.413 3.658 1.00 0.00 H new ATOM 499 N CYS A 32 -17.586 -4.457 -4.968 1.00 0.00 N ATOM 500 CA CYS A 32 -17.313 -3.918 -6.305 1.00 0.00 C ATOM 501 C CYS A 32 -16.372 -4.809 -7.109 1.00 0.00 C ATOM 502 O CYS A 32 -16.212 -4.622 -8.314 1.00 0.00 O ATOM 503 CB CYS A 32 -16.720 -2.509 -6.218 1.00 0.00 C ATOM 504 SG CYS A 32 -15.139 -2.428 -5.343 1.00 0.00 S ATOM 0 H CYS A 32 -16.814 -4.972 -4.546 1.00 0.00 H new ATOM 0 HA CYS A 32 -18.272 -3.881 -6.822 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -16.585 -2.120 -7.227 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -17.434 -1.856 -5.717 1.00 0.00 H new ATOM 509 N GLU A 33 -15.744 -5.776 -6.432 1.00 0.00 N ATOM 510 CA GLU A 33 -14.763 -6.657 -7.060 1.00 0.00 C ATOM 511 C GLU A 33 -13.564 -5.865 -7.570 1.00 0.00 C ATOM 512 O GLU A 33 -12.917 -6.242 -8.543 1.00 0.00 O ATOM 513 CB GLU A 33 -15.396 -7.486 -8.174 1.00 0.00 C ATOM 514 CG GLU A 33 -14.775 -8.864 -8.289 1.00 0.00 C ATOM 515 CD GLU A 33 -15.386 -9.696 -9.387 1.00 0.00 C ATOM 516 OE1 GLU A 33 -16.440 -10.320 -9.144 1.00 0.00 O ATOM 517 OE2 GLU A 33 -14.818 -9.738 -10.494 1.00 0.00 O ATOM 0 H GLU A 33 -15.902 -5.966 -5.442 1.00 0.00 H new ATOM 0 HA GLU A 33 -14.404 -7.351 -6.300 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -16.465 -7.586 -7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -15.286 -6.960 -9.122 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.705 -8.760 -8.472 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.887 -9.387 -7.339 1.00 0.00 H new ATOM 524 N SER A 34 -13.279 -4.758 -6.907 1.00 0.00 N ATOM 525 CA SER A 34 -12.056 -4.021 -7.142 1.00 0.00 C ATOM 526 C SER A 34 -11.103 -4.242 -5.971 1.00 0.00 C ATOM 527 O SER A 34 -11.551 -4.397 -4.831 1.00 0.00 O ATOM 528 CB SER A 34 -12.354 -2.560 -7.322 1.00 0.00 C ATOM 529 OG SER A 34 -13.416 -2.353 -8.242 1.00 0.00 O ATOM 0 H SER A 34 -13.886 -4.349 -6.196 1.00 0.00 H new ATOM 0 HA SER A 34 -11.583 -4.381 -8.056 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.615 -2.120 -6.359 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.460 -2.046 -7.676 1.00 0.00 H new ATOM 0 HG SER A 34 -14.265 -2.304 -7.756 1.00 0.00 H new ATOM 535 N GLY A 35 -9.804 -4.261 -6.244 1.00 0.00 N ATOM 536 CA GLY A 35 -8.831 -4.607 -5.219 1.00 0.00 C ATOM 537 C GLY A 35 -8.379 -3.422 -4.387 1.00 0.00 C ATOM 538 O GLY A 35 -7.191 -3.267 -4.112 1.00 0.00 O ATOM 0 H GLY A 35 -9.404 -4.043 -7.157 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.262 -5.360 -4.560 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.961 -5.060 -5.694 1.00 0.00 H new ATOM 542 N PHE A 36 -9.321 -2.591 -3.970 1.00 0.00 N ATOM 543 CA PHE A 36 -9.000 -1.427 -3.154 1.00 0.00 C ATOM 544 C PHE A 36 -9.381 -1.689 -1.712 1.00 0.00 C ATOM 545 O PHE A 36 -9.980 -0.846 -1.040 1.00 0.00 O ATOM 546 CB PHE A 36 -9.708 -0.184 -3.689 1.00 0.00 C ATOM 547 CG PHE A 36 -9.298 0.133 -5.091 1.00 0.00 C ATOM 548 CD1 PHE A 36 -8.120 0.813 -5.342 1.00 0.00 C ATOM 549 CD2 PHE A 36 -10.080 -0.271 -6.157 1.00 0.00 C ATOM 550 CE1 PHE A 36 -7.727 1.079 -6.634 1.00 0.00 C ATOM 551 CE2 PHE A 36 -9.694 -0.003 -7.452 1.00 0.00 C ATOM 552 CZ PHE A 36 -8.515 0.672 -7.690 1.00 0.00 C ATOM 0 H PHE A 36 -10.313 -2.699 -4.182 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.926 -1.246 -3.202 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.787 -0.337 -3.652 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.485 0.666 -3.045 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.503 1.138 -4.517 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -11.002 -0.802 -5.973 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.803 1.606 -6.821 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.313 -0.320 -8.278 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.209 0.882 -8.704 1.00 0.00 H new ATOM 562 N ILE A 37 -9.019 -2.875 -1.259 1.00 0.00 N ATOM 563 CA ILE A 37 -9.354 -3.347 0.068 1.00 0.00 C ATOM 564 C ILE A 37 -8.109 -3.495 0.921 1.00 0.00 C ATOM 565 O ILE A 37 -7.091 -3.989 0.448 1.00 0.00 O ATOM 566 CB ILE A 37 -10.020 -4.720 0.012 1.00 0.00 C ATOM 567 CG1 ILE A 37 -9.236 -5.693 -0.871 1.00 0.00 C ATOM 568 CG2 ILE A 37 -11.418 -4.600 -0.463 1.00 0.00 C ATOM 569 CD1 ILE A 37 -9.871 -7.064 -0.977 1.00 0.00 C ATOM 0 H ILE A 37 -8.479 -3.543 -1.809 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.032 -2.609 0.498 1.00 0.00 H new ATOM 0 HB ILE A 37 -10.026 -5.125 1.024 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.141 -5.268 -1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.227 -5.799 -0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -11.877 -5.588 -0.497 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.980 -3.962 0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.427 -4.162 -1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.260 -7.699 -1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -9.941 -7.510 0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -10.869 -6.970 -1.404 1.00 0.00 H new ATOM 581 N GLU A 38 -8.193 -3.098 2.170 1.00 0.00 N ATOM 582 CA GLU A 38 -7.104 -3.327 3.106 1.00 0.00 C ATOM 583 C GLU A 38 -7.656 -3.970 4.369 1.00 0.00 C ATOM 584 O GLU A 38 -8.783 -3.682 4.778 1.00 0.00 O ATOM 585 CB GLU A 38 -6.383 -2.013 3.418 1.00 0.00 C ATOM 586 CG GLU A 38 -7.231 -1.000 4.162 1.00 0.00 C ATOM 587 CD GLU A 38 -6.488 0.286 4.432 1.00 0.00 C ATOM 588 OE1 GLU A 38 -5.729 0.336 5.417 1.00 0.00 O ATOM 589 OE2 GLU A 38 -6.672 1.248 3.667 1.00 0.00 O ATOM 0 H GLU A 38 -9.000 -2.616 2.566 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.374 -4.003 2.661 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.494 -2.231 4.010 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.042 -1.568 2.483 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.127 -0.783 3.580 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.561 -1.431 5.107 1.00 0.00 H new ATOM 596 N GLU A 39 -6.881 -4.872 4.955 1.00 0.00 N ATOM 597 CA GLU A 39 -7.309 -5.581 6.152 1.00 0.00 C ATOM 598 C GLU A 39 -7.123 -4.703 7.381 1.00 0.00 C ATOM 599 O GLU A 39 -6.073 -4.080 7.565 1.00 0.00 O ATOM 600 CB GLU A 39 -6.536 -6.894 6.279 1.00 0.00 C ATOM 601 CG GLU A 39 -6.906 -7.720 7.483 1.00 0.00 C ATOM 602 CD GLU A 39 -6.407 -9.148 7.389 1.00 0.00 C ATOM 603 OE1 GLU A 39 -5.176 -9.353 7.318 1.00 0.00 O ATOM 604 OE2 GLU A 39 -7.244 -10.078 7.381 1.00 0.00 O ATOM 0 H GLU A 39 -5.953 -5.130 4.621 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.370 -5.817 6.073 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.703 -7.488 5.381 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.470 -6.671 6.320 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.495 -7.254 8.378 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.990 -7.725 7.596 1.00 0.00 H new ATOM 611 N LEU A 40 -8.152 -4.667 8.208 1.00 0.00 N ATOM 612 CA LEU A 40 -8.234 -3.727 9.311 1.00 0.00 C ATOM 613 C LEU A 40 -7.783 -4.380 10.609 1.00 0.00 C ATOM 614 O LEU A 40 -6.719 -3.989 11.137 1.00 0.00 O ATOM 615 CB LEU A 40 -9.678 -3.235 9.433 1.00 0.00 C ATOM 616 CG LEU A 40 -10.383 -3.016 8.091 1.00 0.00 C ATOM 617 CD1 LEU A 40 -11.863 -2.754 8.291 1.00 0.00 C ATOM 618 CD2 LEU A 40 -9.748 -1.868 7.324 1.00 0.00 C ATOM 619 OXT LEU A 40 -8.484 -5.292 11.089 1.00 0.00 O ATOM 0 H LEU A 40 -8.956 -5.290 8.134 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.573 -2.882 9.117 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.248 -3.958 10.016 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.685 -2.299 9.991 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.269 -3.929 7.506 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.340 -2.602 7.323 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.320 -3.609 8.790 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.995 -1.863 8.904 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.267 -1.733 6.375 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.822 -0.953 7.911 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.698 -2.093 7.135 1.00 0.00 H new TER 631 LEU A 40 ATOM 632 N MET C 2 5.857 -0.647 -21.698 1.00 0.00 N ATOM 633 CA MET C 2 6.493 -0.399 -23.013 1.00 0.00 C ATOM 634 C MET C 2 7.815 -1.147 -23.112 1.00 0.00 C ATOM 635 O MET C 2 8.834 -0.691 -22.587 1.00 0.00 O ATOM 636 CB MET C 2 6.720 1.101 -23.221 1.00 0.00 C ATOM 637 CG MET C 2 5.442 1.888 -23.458 1.00 0.00 C ATOM 638 SD MET C 2 4.625 1.437 -25.001 1.00 0.00 S ATOM 639 CE MET C 2 3.173 2.485 -24.934 1.00 0.00 C ATOM 0 HA MET C 2 5.825 -0.764 -23.794 1.00 0.00 H new ATOM 0 HB2 MET C 2 7.228 1.507 -22.346 1.00 0.00 H new ATOM 0 HB3 MET C 2 7.386 1.244 -24.072 1.00 0.00 H new ATOM 0 HG2 MET C 2 4.757 1.721 -22.626 1.00 0.00 H new ATOM 0 HG3 MET C 2 5.673 2.953 -23.471 1.00 0.00 H new ATOM 0 HE1 MET C 2 2.564 2.321 -25.823 1.00 0.00 H new ATOM 0 HE2 MET C 2 2.590 2.243 -24.045 1.00 0.00 H new ATOM 0 HE3 MET C 2 3.480 3.530 -24.893 1.00 0.00 H new ATOM 651 N ALA C 3 7.777 -2.303 -23.779 1.00 0.00 N ATOM 652 CA ALA C 3 8.946 -3.166 -23.959 1.00 0.00 C ATOM 653 C ALA C 3 9.380 -3.796 -22.638 1.00 0.00 C ATOM 654 O ALA C 3 9.052 -4.952 -22.359 1.00 0.00 O ATOM 655 CB ALA C 3 10.101 -2.413 -24.612 1.00 0.00 C ATOM 0 H ALA C 3 6.929 -2.668 -24.212 1.00 0.00 H new ATOM 0 HA ALA C 3 8.654 -3.972 -24.632 1.00 0.00 H new ATOM 0 HB1 ALA C 3 10.952 -3.084 -24.730 1.00 0.00 H new ATOM 0 HB2 ALA C 3 9.789 -2.046 -25.590 1.00 0.00 H new ATOM 0 HB3 ALA C 3 10.388 -1.570 -23.983 1.00 0.00 H new ATOM 661 N HIS C 4 10.099 -3.032 -21.823 1.00 0.00 N ATOM 662 CA HIS C 4 10.588 -3.517 -20.536 1.00 0.00 C ATOM 663 C HIS C 4 11.293 -2.402 -19.775 1.00 0.00 C ATOM 664 O HIS C 4 11.080 -2.235 -18.574 1.00 0.00 O ATOM 665 CB HIS C 4 11.551 -4.701 -20.724 1.00 0.00 C ATOM 666 CG HIS C 4 12.030 -5.299 -19.433 1.00 0.00 C ATOM 667 ND1 HIS C 4 13.356 -5.336 -19.062 1.00 0.00 N ATOM 668 CD2 HIS C 4 11.346 -5.889 -18.424 1.00 0.00 C ATOM 669 CE1 HIS C 4 13.466 -5.918 -17.882 1.00 0.00 C ATOM 670 NE2 HIS C 4 12.261 -6.262 -17.472 1.00 0.00 N ATOM 0 H HIS C 4 10.358 -2.068 -22.032 1.00 0.00 H new ATOM 0 HA HIS C 4 9.726 -3.853 -19.960 1.00 0.00 H new ATOM 0 HB2 HIS C 4 11.053 -5.474 -21.310 1.00 0.00 H new ATOM 0 HB3 HIS C 4 12.413 -4.369 -21.302 1.00 0.00 H new ATOM 0 HD2 HIS C 4 10.277 -6.038 -18.377 1.00 0.00 H new ATOM 0 HE1 HIS C 4 14.387 -6.084 -17.344 1.00 0.00 H new ATOM 0 HE2 HIS C 4 12.044 -6.729 -16.591 1.00 0.00 H new ATOM 679 N HIS C 5 12.127 -1.644 -20.490 1.00 0.00 N ATOM 680 CA HIS C 5 12.962 -0.605 -19.883 1.00 0.00 C ATOM 681 C HIS C 5 13.942 -1.224 -18.889 1.00 0.00 C ATOM 682 O HIS C 5 14.133 -2.443 -18.883 1.00 0.00 O ATOM 683 CB HIS C 5 12.107 0.477 -19.208 1.00 0.00 C ATOM 684 CG HIS C 5 11.389 1.362 -20.179 1.00 0.00 C ATOM 685 ND1 HIS C 5 10.018 1.489 -20.219 1.00 0.00 N ATOM 686 CD2 HIS C 5 11.865 2.177 -21.150 1.00 0.00 C ATOM 687 CE1 HIS C 5 9.683 2.340 -21.168 1.00 0.00 C ATOM 688 NE2 HIS C 5 10.784 2.773 -21.750 1.00 0.00 N ATOM 0 H HIS C 5 12.242 -1.732 -21.500 1.00 0.00 H new ATOM 0 HA HIS C 5 13.532 -0.123 -20.677 1.00 0.00 H new ATOM 0 HB2 HIS C 5 11.376 -0.002 -18.556 1.00 0.00 H new ATOM 0 HB3 HIS C 5 12.746 1.091 -18.573 1.00 0.00 H new ATOM 0 HD2 HIS C 5 12.903 2.330 -21.405 1.00 0.00 H new ATOM 0 HE1 HIS C 5 8.676 2.633 -21.426 1.00 0.00 H new ATOM 0 HE2 HIS C 5 10.826 3.441 -22.520 1.00 0.00 H new ATOM 697 N HIS C 6 14.574 -0.383 -18.068 1.00 0.00 N ATOM 698 CA HIS C 6 15.565 -0.844 -17.094 1.00 0.00 C ATOM 699 C HIS C 6 16.711 -1.539 -17.813 1.00 0.00 C ATOM 700 O HIS C 6 17.200 -2.579 -17.369 1.00 0.00 O ATOM 701 CB HIS C 6 14.943 -1.800 -16.065 1.00 0.00 C ATOM 702 CG HIS C 6 13.841 -1.198 -15.253 1.00 0.00 C ATOM 703 ND1 HIS C 6 13.959 -0.925 -13.908 1.00 0.00 N ATOM 704 CD2 HIS C 6 12.585 -0.836 -15.599 1.00 0.00 C ATOM 705 CE1 HIS C 6 12.822 -0.422 -13.464 1.00 0.00 C ATOM 706 NE2 HIS C 6 11.972 -0.356 -14.473 1.00 0.00 N ATOM 0 H HIS C 6 14.416 0.625 -18.059 1.00 0.00 H new ATOM 0 HA HIS C 6 15.940 0.029 -16.559 1.00 0.00 H new ATOM 0 HB2 HIS C 6 14.557 -2.676 -16.587 1.00 0.00 H new ATOM 0 HB3 HIS C 6 15.726 -2.149 -15.392 1.00 0.00 H new ATOM 0 HD2 HIS C 6 12.146 -0.912 -16.583 1.00 0.00 H new ATOM 0 HE1 HIS C 6 12.621 -0.116 -12.448 1.00 0.00 H new ATOM 0 HE2 HIS C 6 11.016 -0.005 -14.422 1.00 0.00 H new ATOM 715 N HIS C 7 17.124 -0.968 -18.938 1.00 0.00 N ATOM 716 CA HIS C 7 18.147 -1.583 -19.764 1.00 0.00 C ATOM 717 C HIS C 7 19.512 -1.433 -19.102 1.00 0.00 C ATOM 718 O HIS C 7 19.993 -2.375 -18.485 1.00 0.00 O ATOM 719 CB HIS C 7 18.145 -0.976 -21.172 1.00 0.00 C ATOM 720 CG HIS C 7 18.735 -1.881 -22.209 1.00 0.00 C ATOM 721 ND1 HIS C 7 17.968 -2.682 -23.024 1.00 0.00 N ATOM 722 CD2 HIS C 7 20.021 -2.115 -22.559 1.00 0.00 C ATOM 723 CE1 HIS C 7 18.756 -3.372 -23.827 1.00 0.00 C ATOM 724 NE2 HIS C 7 20.006 -3.045 -23.567 1.00 0.00 N ATOM 0 H HIS C 7 16.765 -0.083 -19.296 1.00 0.00 H new ATOM 0 HA HIS C 7 17.928 -2.646 -19.862 1.00 0.00 H new ATOM 0 HB2 HIS C 7 17.121 -0.732 -21.453 1.00 0.00 H new ATOM 0 HB3 HIS C 7 18.703 -0.040 -21.157 1.00 0.00 H new ATOM 0 HD2 HIS C 7 20.897 -1.655 -22.125 1.00 0.00 H new ATOM 0 HE1 HIS C 7 18.431 -4.084 -24.571 1.00 0.00 H new ATOM 0 HE2 HIS C 7 20.828 -3.422 -24.038 1.00 0.00 H new ATOM 733 N HIS C 8 20.121 -0.249 -19.238 1.00 0.00 N ATOM 734 CA HIS C 8 21.374 0.096 -18.541 1.00 0.00 C ATOM 735 C HIS C 8 22.425 -1.011 -18.646 1.00 0.00 C ATOM 736 O HIS C 8 23.184 -1.234 -17.701 1.00 0.00 O ATOM 737 CB HIS C 8 21.097 0.386 -17.059 1.00 0.00 C ATOM 738 CG HIS C 8 20.214 1.571 -16.817 1.00 0.00 C ATOM 739 ND1 HIS C 8 20.696 2.799 -16.421 1.00 0.00 N ATOM 740 CD2 HIS C 8 18.870 1.710 -16.906 1.00 0.00 C ATOM 741 CE1 HIS C 8 19.690 3.640 -16.279 1.00 0.00 C ATOM 742 NE2 HIS C 8 18.572 3.004 -16.568 1.00 0.00 N ATOM 0 H HIS C 8 19.763 0.498 -19.832 1.00 0.00 H new ATOM 0 HA HIS C 8 21.771 0.985 -19.031 1.00 0.00 H new ATOM 0 HB2 HIS C 8 20.636 -0.493 -16.609 1.00 0.00 H new ATOM 0 HB3 HIS C 8 22.047 0.545 -16.548 1.00 0.00 H new ATOM 0 HD2 HIS C 8 18.164 0.944 -17.190 1.00 0.00 H new ATOM 0 HE1 HIS C 8 19.769 4.674 -15.977 1.00 0.00 H new ATOM 0 HE2 HIS C 8 17.636 3.410 -16.544 1.00 0.00 H new ATOM 751 N HIS C 9 22.477 -1.679 -19.803 1.00 0.00 N ATOM 752 CA HIS C 9 23.289 -2.895 -19.991 1.00 0.00 C ATOM 753 C HIS C 9 22.720 -4.059 -19.175 1.00 0.00 C ATOM 754 O HIS C 9 22.480 -5.143 -19.706 1.00 0.00 O ATOM 755 CB HIS C 9 24.765 -2.664 -19.638 1.00 0.00 C ATOM 756 CG HIS C 9 25.493 -1.799 -20.618 1.00 0.00 C ATOM 757 ND1 HIS C 9 26.332 -2.300 -21.588 1.00 0.00 N ATOM 758 CD2 HIS C 9 25.507 -0.455 -20.773 1.00 0.00 C ATOM 759 CE1 HIS C 9 26.830 -1.306 -22.294 1.00 0.00 C ATOM 760 NE2 HIS C 9 26.345 -0.174 -21.822 1.00 0.00 N ATOM 0 H HIS C 9 21.960 -1.396 -20.636 1.00 0.00 H new ATOM 0 HA HIS C 9 23.243 -3.151 -21.050 1.00 0.00 H new ATOM 0 HB2 HIS C 9 24.825 -2.207 -18.650 1.00 0.00 H new ATOM 0 HB3 HIS C 9 25.269 -3.628 -19.575 1.00 0.00 H new ATOM 0 HD2 HIS C 9 24.960 0.263 -20.181 1.00 0.00 H new ATOM 0 HE1 HIS C 9 27.519 -1.402 -23.120 1.00 0.00 H new ATOM 0 HE2 HIS C 9 26.558 0.758 -22.179 1.00 0.00 H new ATOM 769 N VAL C 10 22.501 -3.825 -17.892 1.00 0.00 N ATOM 770 CA VAL C 10 21.835 -4.784 -17.032 1.00 0.00 C ATOM 771 C VAL C 10 20.874 -4.070 -16.102 1.00 0.00 C ATOM 772 O VAL C 10 21.083 -2.904 -15.757 1.00 0.00 O ATOM 773 CB VAL C 10 22.831 -5.633 -16.214 1.00 0.00 C ATOM 774 CG1 VAL C 10 23.815 -4.749 -15.463 1.00 0.00 C ATOM 775 CG2 VAL C 10 22.119 -6.572 -15.248 1.00 0.00 C ATOM 0 H VAL C 10 22.780 -2.965 -17.419 1.00 0.00 H new ATOM 0 HA VAL C 10 21.283 -5.467 -17.678 1.00 0.00 H new ATOM 0 HB VAL C 10 23.385 -6.246 -16.925 1.00 0.00 H new ATOM 0 HG11 VAL C 10 24.505 -5.373 -14.895 1.00 0.00 H new ATOM 0 HG12 VAL C 10 24.376 -4.143 -16.174 1.00 0.00 H new ATOM 0 HG13 VAL C 10 23.270 -4.097 -14.780 1.00 0.00 H new ATOM 0 HG21 VAL C 10 22.857 -7.151 -14.693 1.00 0.00 H new ATOM 0 HG22 VAL C 10 21.516 -5.989 -14.552 1.00 0.00 H new ATOM 0 HG23 VAL C 10 21.474 -7.249 -15.808 1.00 0.00 H new ATOM 785 N ASP C 11 19.834 -4.775 -15.716 1.00 0.00 N ATOM 786 CA ASP C 11 18.772 -4.207 -14.890 1.00 0.00 C ATOM 787 C ASP C 11 19.339 -3.644 -13.588 1.00 0.00 C ATOM 788 O ASP C 11 19.409 -2.425 -13.419 1.00 0.00 O ATOM 789 CB ASP C 11 17.692 -5.261 -14.614 1.00 0.00 C ATOM 790 CG ASP C 11 18.269 -6.594 -14.180 1.00 0.00 C ATOM 791 OD1 ASP C 11 18.724 -7.359 -15.052 1.00 0.00 O ATOM 792 OD2 ASP C 11 18.281 -6.879 -12.966 1.00 0.00 O ATOM 0 H ASP C 11 19.693 -5.755 -15.960 1.00 0.00 H new ATOM 0 HA ASP C 11 18.312 -3.382 -15.434 1.00 0.00 H new ATOM 0 HB2 ASP C 11 17.020 -4.892 -13.839 1.00 0.00 H new ATOM 0 HB3 ASP C 11 17.093 -5.405 -15.513 1.00 0.00 H new ATOM 797 N ASP C 12 19.737 -4.536 -12.685 1.00 0.00 N ATOM 798 CA ASP C 12 20.430 -4.168 -11.454 1.00 0.00 C ATOM 799 C ASP C 12 20.651 -5.412 -10.608 1.00 0.00 C ATOM 800 O ASP C 12 21.758 -5.945 -10.537 1.00 0.00 O ATOM 801 CB ASP C 12 19.637 -3.137 -10.643 1.00 0.00 C ATOM 802 CG ASP C 12 20.465 -2.518 -9.537 1.00 0.00 C ATOM 803 OD1 ASP C 12 21.193 -1.540 -9.818 1.00 0.00 O ATOM 804 OD2 ASP C 12 20.392 -2.997 -8.386 1.00 0.00 O ATOM 0 H ASP C 12 19.587 -5.540 -12.787 1.00 0.00 H new ATOM 0 HA ASP C 12 21.385 -3.719 -11.727 1.00 0.00 H new ATOM 0 HB2 ASP C 12 19.278 -2.352 -11.309 1.00 0.00 H new ATOM 0 HB3 ASP C 12 18.758 -3.615 -10.212 1.00 0.00 H new ATOM 809 N ASP C 13 19.564 -5.879 -10.010 1.00 0.00 N ATOM 810 CA ASP C 13 19.541 -7.065 -9.157 1.00 0.00 C ATOM 811 C ASP C 13 18.090 -7.359 -8.818 1.00 0.00 C ATOM 812 O ASP C 13 17.192 -6.912 -9.533 1.00 0.00 O ATOM 813 CB ASP C 13 20.333 -6.852 -7.855 1.00 0.00 C ATOM 814 CG ASP C 13 21.780 -7.295 -7.945 1.00 0.00 C ATOM 815 OD1 ASP C 13 22.033 -8.488 -8.218 1.00 0.00 O ATOM 816 OD2 ASP C 13 22.679 -6.453 -7.732 1.00 0.00 O ATOM 0 H ASP C 13 18.651 -5.435 -10.105 1.00 0.00 H new ATOM 0 HA ASP C 13 20.007 -7.894 -9.689 1.00 0.00 H new ATOM 0 HB2 ASP C 13 20.301 -5.795 -7.589 1.00 0.00 H new ATOM 0 HB3 ASP C 13 19.844 -7.399 -7.049 1.00 0.00 H new ATOM 821 N ASP C 14 17.843 -8.091 -7.742 1.00 0.00 N ATOM 822 CA ASP C 14 16.490 -8.202 -7.224 1.00 0.00 C ATOM 823 C ASP C 14 16.092 -6.888 -6.566 1.00 0.00 C ATOM 824 O ASP C 14 14.910 -6.613 -6.353 1.00 0.00 O ATOM 825 CB ASP C 14 16.364 -9.363 -6.245 1.00 0.00 C ATOM 826 CG ASP C 14 16.057 -10.672 -6.944 1.00 0.00 C ATOM 827 OD1 ASP C 14 14.883 -10.892 -7.318 1.00 0.00 O ATOM 828 OD2 ASP C 14 16.979 -11.490 -7.117 1.00 0.00 O ATOM 0 H ASP C 14 18.549 -8.609 -7.219 1.00 0.00 H new ATOM 0 HA ASP C 14 15.812 -8.407 -8.053 1.00 0.00 H new ATOM 0 HB2 ASP C 14 17.292 -9.463 -5.682 1.00 0.00 H new ATOM 0 HB3 ASP C 14 15.576 -9.144 -5.525 1.00 0.00 H new ATOM 833 N LYS C 15 17.102 -6.084 -6.240 1.00 0.00 N ATOM 834 CA LYS C 15 16.899 -4.717 -5.800 1.00 0.00 C ATOM 835 C LYS C 15 16.335 -3.852 -6.929 1.00 0.00 C ATOM 836 O LYS C 15 16.120 -4.336 -8.041 1.00 0.00 O ATOM 837 CB LYS C 15 18.216 -4.143 -5.317 1.00 0.00 C ATOM 838 CG LYS C 15 18.807 -4.966 -4.204 1.00 0.00 C ATOM 839 CD LYS C 15 20.203 -4.494 -3.834 1.00 0.00 C ATOM 840 CE LYS C 15 20.776 -5.283 -2.666 1.00 0.00 C ATOM 841 NZ LYS C 15 20.892 -6.733 -2.972 1.00 0.00 N ATOM 0 H LYS C 15 18.081 -6.367 -6.275 1.00 0.00 H new ATOM 0 HA LYS C 15 16.176 -4.719 -4.984 1.00 0.00 H new ATOM 0 HB2 LYS C 15 18.919 -4.097 -6.148 1.00 0.00 H new ATOM 0 HB3 LYS C 15 18.063 -3.121 -4.972 1.00 0.00 H new ATOM 0 HG2 LYS C 15 18.160 -4.911 -3.328 1.00 0.00 H new ATOM 0 HG3 LYS C 15 18.845 -6.013 -4.506 1.00 0.00 H new ATOM 0 HD2 LYS C 15 20.861 -4.594 -4.697 1.00 0.00 H new ATOM 0 HD3 LYS C 15 20.172 -3.435 -3.577 1.00 0.00 H new ATOM 0 HE2 LYS C 15 21.759 -4.888 -2.410 1.00 0.00 H new ATOM 0 HE3 LYS C 15 20.140 -5.148 -1.791 1.00 0.00 H new ATOM 0 HZ1 LYS C 15 21.438 -7.203 -2.222 1.00 0.00 H new ATOM 0 HZ2 LYS C 15 19.942 -7.154 -3.024 1.00 0.00 H new ATOM 0 HZ3 LYS C 15 21.377 -6.858 -3.884 1.00 0.00 H new ATOM 855 N MET C 16 16.137 -2.565 -6.640 1.00 0.00 N ATOM 856 CA MET C 16 15.551 -1.625 -7.599 1.00 0.00 C ATOM 857 C MET C 16 14.180 -2.103 -8.059 1.00 0.00 C ATOM 858 O MET C 16 14.033 -2.672 -9.143 1.00 0.00 O ATOM 859 CB MET C 16 16.479 -1.402 -8.799 1.00 0.00 C ATOM 860 CG MET C 16 17.725 -0.593 -8.462 1.00 0.00 C ATOM 861 SD MET C 16 17.340 1.055 -7.831 1.00 0.00 S ATOM 862 CE MET C 16 16.434 1.747 -9.213 1.00 0.00 C ATOM 0 H MET C 16 16.376 -2.146 -5.741 1.00 0.00 H new ATOM 0 HA MET C 16 15.427 -0.669 -7.091 1.00 0.00 H new ATOM 0 HB2 MET C 16 16.781 -2.370 -9.199 1.00 0.00 H new ATOM 0 HB3 MET C 16 15.925 -0.890 -9.586 1.00 0.00 H new ATOM 0 HG2 MET C 16 18.313 -1.133 -7.720 1.00 0.00 H new ATOM 0 HG3 MET C 16 18.345 -0.500 -9.354 1.00 0.00 H new ATOM 0 HE1 MET C 16 16.359 2.828 -9.094 1.00 0.00 H new ATOM 0 HE2 MET C 16 16.957 1.519 -10.142 1.00 0.00 H new ATOM 0 HE3 MET C 16 15.434 1.316 -9.245 1.00 0.00 H new ATOM 872 N LEU C 17 13.167 -1.853 -7.238 1.00 0.00 N ATOM 873 CA LEU C 17 11.834 -2.346 -7.527 1.00 0.00 C ATOM 874 C LEU C 17 11.072 -1.332 -8.334 1.00 0.00 C ATOM 875 O LEU C 17 11.108 -0.134 -8.045 1.00 0.00 O ATOM 876 CB LEU C 17 11.060 -2.597 -6.252 1.00 0.00 C ATOM 877 CG LEU C 17 11.874 -3.118 -5.077 1.00 0.00 C ATOM 878 CD1 LEU C 17 11.053 -3.005 -3.818 1.00 0.00 C ATOM 879 CD2 LEU C 17 12.309 -4.555 -5.303 1.00 0.00 C ATOM 0 H LEU C 17 13.246 -1.316 -6.375 1.00 0.00 H new ATOM 0 HA LEU C 17 11.943 -3.278 -8.082 1.00 0.00 H new ATOM 0 HB2 LEU C 17 10.578 -1.666 -5.952 1.00 0.00 H new ATOM 0 HB3 LEU C 17 10.266 -3.312 -6.466 1.00 0.00 H new ATOM 0 HG LEU C 17 12.777 -2.516 -4.979 1.00 0.00 H new ATOM 0 HD11 LEU C 17 11.631 -3.377 -2.972 1.00 0.00 H new ATOM 0 HD12 LEU C 17 10.791 -1.961 -3.647 1.00 0.00 H new ATOM 0 HD13 LEU C 17 10.143 -3.595 -3.923 1.00 0.00 H new ATOM 0 HD21 LEU C 17 12.889 -4.899 -4.446 1.00 0.00 H new ATOM 0 HD22 LEU C 17 11.429 -5.187 -5.423 1.00 0.00 H new ATOM 0 HD23 LEU C 17 12.922 -4.612 -6.202 1.00 0.00 H new ATOM 891 N GLU C 18 10.360 -1.810 -9.321 1.00 0.00 N ATOM 892 CA GLU C 18 9.510 -0.951 -10.098 1.00 0.00 C ATOM 893 C GLU C 18 8.157 -0.891 -9.444 1.00 0.00 C ATOM 894 O GLU C 18 7.269 -1.696 -9.715 1.00 0.00 O ATOM 895 CB GLU C 18 9.426 -1.423 -11.520 1.00 0.00 C ATOM 896 CG GLU C 18 8.699 -0.462 -12.437 1.00 0.00 C ATOM 897 CD GLU C 18 8.672 -0.937 -13.874 1.00 0.00 C ATOM 898 OE1 GLU C 18 8.024 -1.964 -14.159 1.00 0.00 O ATOM 899 OE2 GLU C 18 9.319 -0.290 -14.725 1.00 0.00 O ATOM 0 H GLU C 18 10.353 -2.790 -9.605 1.00 0.00 H new ATOM 0 HA GLU C 18 9.929 0.055 -10.130 1.00 0.00 H new ATOM 0 HB2 GLU C 18 10.435 -1.582 -11.901 1.00 0.00 H new ATOM 0 HB3 GLU C 18 8.920 -2.388 -11.544 1.00 0.00 H new ATOM 0 HG2 GLU C 18 7.677 -0.330 -12.082 1.00 0.00 H new ATOM 0 HG3 GLU C 18 9.181 0.514 -12.390 1.00 0.00 H new ATOM 906 N VAL C 19 8.027 0.063 -8.553 1.00 0.00 N ATOM 907 CA VAL C 19 6.856 0.174 -7.738 1.00 0.00 C ATOM 908 C VAL C 19 5.710 0.716 -8.554 1.00 0.00 C ATOM 909 O VAL C 19 5.590 1.904 -8.782 1.00 0.00 O ATOM 910 CB VAL C 19 7.145 1.072 -6.535 1.00 0.00 C ATOM 911 CG1 VAL C 19 5.859 1.623 -5.925 1.00 0.00 C ATOM 912 CG2 VAL C 19 7.894 0.300 -5.488 1.00 0.00 C ATOM 0 H VAL C 19 8.732 0.779 -8.378 1.00 0.00 H new ATOM 0 HA VAL C 19 6.575 -0.813 -7.370 1.00 0.00 H new ATOM 0 HB VAL C 19 7.747 1.910 -6.886 1.00 0.00 H new ATOM 0 HG11 VAL C 19 6.103 2.257 -5.072 1.00 0.00 H new ATOM 0 HG12 VAL C 19 5.324 2.210 -6.672 1.00 0.00 H new ATOM 0 HG13 VAL C 19 5.230 0.797 -5.594 1.00 0.00 H new ATOM 0 HG21 VAL C 19 8.096 0.947 -4.634 1.00 0.00 H new ATOM 0 HG22 VAL C 19 7.294 -0.551 -5.165 1.00 0.00 H new ATOM 0 HG23 VAL C 19 8.836 -0.057 -5.904 1.00 0.00 H new ATOM 922 N LEU C 20 4.892 -0.160 -9.029 1.00 0.00 N ATOM 923 CA LEU C 20 3.756 0.256 -9.803 1.00 0.00 C ATOM 924 C LEU C 20 2.590 0.508 -8.861 1.00 0.00 C ATOM 925 O LEU C 20 2.535 -0.064 -7.778 1.00 0.00 O ATOM 926 CB LEU C 20 3.395 -0.809 -10.827 1.00 0.00 C ATOM 927 CG LEU C 20 4.233 -0.844 -12.102 1.00 0.00 C ATOM 928 CD1 LEU C 20 4.405 -2.274 -12.580 1.00 0.00 C ATOM 929 CD2 LEU C 20 3.563 -0.016 -13.190 1.00 0.00 C ATOM 0 H LEU C 20 4.982 -1.168 -8.900 1.00 0.00 H new ATOM 0 HA LEU C 20 3.993 1.173 -10.343 1.00 0.00 H new ATOM 0 HB2 LEU C 20 3.468 -1.784 -10.345 1.00 0.00 H new ATOM 0 HB3 LEU C 20 2.351 -0.670 -11.109 1.00 0.00 H new ATOM 0 HG LEU C 20 5.215 -0.423 -11.884 1.00 0.00 H new ATOM 0 HD11 LEU C 20 5.005 -2.284 -13.490 1.00 0.00 H new ATOM 0 HD12 LEU C 20 4.907 -2.858 -11.808 1.00 0.00 H new ATOM 0 HD13 LEU C 20 3.427 -2.709 -12.785 1.00 0.00 H new ATOM 0 HD21 LEU C 20 4.169 -0.047 -14.096 1.00 0.00 H new ATOM 0 HD22 LEU C 20 2.574 -0.424 -13.400 1.00 0.00 H new ATOM 0 HD23 LEU C 20 3.466 1.016 -12.854 1.00 0.00 H new ATOM 941 N VAL C 21 1.682 1.375 -9.259 1.00 0.00 N ATOM 942 CA VAL C 21 0.528 1.723 -8.444 1.00 0.00 C ATOM 943 C VAL C 21 -0.699 1.975 -9.333 1.00 0.00 C ATOM 944 O VAL C 21 -0.558 2.424 -10.467 1.00 0.00 O ATOM 945 CB VAL C 21 0.795 2.988 -7.606 1.00 0.00 C ATOM 946 CG1 VAL C 21 1.965 2.766 -6.664 1.00 0.00 C ATOM 947 CG2 VAL C 21 1.024 4.189 -8.513 1.00 0.00 C ATOM 0 H VAL C 21 1.720 1.860 -10.155 1.00 0.00 H new ATOM 0 HA VAL C 21 0.339 0.884 -7.775 1.00 0.00 H new ATOM 0 HB VAL C 21 -0.084 3.198 -6.996 1.00 0.00 H new ATOM 0 HG11 VAL C 21 2.139 3.670 -6.080 1.00 0.00 H new ATOM 0 HG12 VAL C 21 1.739 1.938 -5.992 1.00 0.00 H new ATOM 0 HG13 VAL C 21 2.858 2.530 -7.243 1.00 0.00 H new ATOM 0 HG21 VAL C 21 1.211 5.074 -7.905 1.00 0.00 H new ATOM 0 HG22 VAL C 21 1.885 4.001 -9.155 1.00 0.00 H new ATOM 0 HG23 VAL C 21 0.140 4.353 -9.130 1.00 0.00 H new ATOM 957 N LYS C 22 -1.884 1.656 -8.834 1.00 0.00 N ATOM 958 CA LYS C 22 -3.131 2.005 -9.481 1.00 0.00 C ATOM 959 C LYS C 22 -4.072 2.642 -8.466 1.00 0.00 C ATOM 960 O LYS C 22 -4.416 2.024 -7.456 1.00 0.00 O ATOM 961 CB LYS C 22 -3.820 0.772 -10.055 1.00 0.00 C ATOM 962 CG LYS C 22 -3.044 0.037 -11.139 1.00 0.00 C ATOM 963 CD LYS C 22 -3.946 -0.917 -11.917 1.00 0.00 C ATOM 964 CE LYS C 22 -3.289 -1.399 -13.207 1.00 0.00 C ATOM 965 NZ LYS C 22 -4.144 -2.367 -13.944 1.00 0.00 N ATOM 0 H LYS C 22 -2.003 1.143 -7.961 1.00 0.00 H new ATOM 0 HA LYS C 22 -2.902 2.699 -10.290 1.00 0.00 H new ATOM 0 HB2 LYS C 22 -4.021 0.076 -9.240 1.00 0.00 H new ATOM 0 HB3 LYS C 22 -4.785 1.072 -10.463 1.00 0.00 H new ATOM 0 HG2 LYS C 22 -2.599 0.759 -11.823 1.00 0.00 H new ATOM 0 HG3 LYS C 22 -2.224 -0.521 -10.687 1.00 0.00 H new ATOM 0 HD2 LYS C 22 -4.191 -1.776 -11.292 1.00 0.00 H new ATOM 0 HD3 LYS C 22 -4.885 -0.417 -12.153 1.00 0.00 H new ATOM 0 HE2 LYS C 22 -3.078 -0.543 -13.847 1.00 0.00 H new ATOM 0 HE3 LYS C 22 -2.332 -1.866 -12.973 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 -3.658 -2.668 -14.813 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 -4.325 -3.197 -13.344 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 -5.047 -1.914 -14.191 1.00 0.00 H new ATOM 979 N THR C 23 -4.475 3.867 -8.725 1.00 0.00 N ATOM 980 CA THR C 23 -5.430 4.550 -7.871 1.00 0.00 C ATOM 981 C THR C 23 -6.823 4.550 -8.495 1.00 0.00 C ATOM 982 O THR C 23 -7.043 5.151 -9.551 1.00 0.00 O ATOM 983 CB THR C 23 -4.986 5.990 -7.596 1.00 0.00 C ATOM 984 OG1 THR C 23 -4.447 6.567 -8.791 1.00 0.00 O ATOM 985 CG2 THR C 23 -3.946 6.045 -6.488 1.00 0.00 C ATOM 0 H THR C 23 -4.156 4.415 -9.524 1.00 0.00 H new ATOM 0 HA THR C 23 -5.470 4.007 -6.927 1.00 0.00 H new ATOM 0 HB THR C 23 -5.859 6.558 -7.273 1.00 0.00 H new ATOM 0 HG1 THR C 23 -3.766 7.231 -8.555 1.00 0.00 H new ATOM 0 HG21 THR C 23 -3.651 7.080 -6.317 1.00 0.00 H new ATOM 0 HG22 THR C 23 -4.368 5.631 -5.572 1.00 0.00 H new ATOM 0 HG23 THR C 23 -3.072 5.463 -6.780 1.00 0.00 H new ATOM 993 N LEU C 24 -7.748 3.845 -7.841 1.00 0.00 N ATOM 994 CA LEU C 24 -9.135 3.696 -8.313 1.00 0.00 C ATOM 995 C LEU C 24 -9.193 3.122 -9.733 1.00 0.00 C ATOM 996 O LEU C 24 -10.203 3.245 -10.426 1.00 0.00 O ATOM 997 CB LEU C 24 -9.878 5.031 -8.237 1.00 0.00 C ATOM 998 CG LEU C 24 -10.479 5.406 -6.864 1.00 0.00 C ATOM 999 CD1 LEU C 24 -11.522 4.383 -6.427 1.00 0.00 C ATOM 1000 CD2 LEU C 24 -9.392 5.551 -5.806 1.00 0.00 C ATOM 0 H LEU C 24 -7.560 3.358 -6.965 1.00 0.00 H new ATOM 0 HA LEU C 24 -9.631 2.985 -7.653 1.00 0.00 H new ATOM 0 HB2 LEU C 24 -9.190 5.822 -8.536 1.00 0.00 H new ATOM 0 HB3 LEU C 24 -10.685 5.015 -8.970 1.00 0.00 H new ATOM 0 HG LEU C 24 -10.973 6.372 -6.973 1.00 0.00 H new ATOM 0 HD11 LEU C 24 -11.930 4.670 -5.458 1.00 0.00 H new ATOM 0 HD12 LEU C 24 -12.326 4.346 -7.162 1.00 0.00 H new ATOM 0 HD13 LEU C 24 -11.057 3.400 -6.348 1.00 0.00 H new ATOM 0 HD21 LEU C 24 -9.847 5.815 -4.851 1.00 0.00 H new ATOM 0 HD22 LEU C 24 -8.856 4.608 -5.704 1.00 0.00 H new ATOM 0 HD23 LEU C 24 -8.695 6.334 -6.105 1.00 0.00 H new ATOM 1012 N ASP C 25 -8.084 2.498 -10.140 1.00 0.00 N ATOM 1013 CA ASP C 25 -7.945 1.839 -11.449 1.00 0.00 C ATOM 1014 C ASP C 25 -7.852 2.869 -12.571 1.00 0.00 C ATOM 1015 O ASP C 25 -7.544 2.539 -13.717 1.00 0.00 O ATOM 1016 CB ASP C 25 -9.095 0.854 -11.705 1.00 0.00 C ATOM 1017 CG ASP C 25 -8.835 -0.044 -12.897 1.00 0.00 C ATOM 1018 OD1 ASP C 25 -7.975 -0.945 -12.785 1.00 0.00 O ATOM 1019 OD2 ASP C 25 -9.487 0.144 -13.945 1.00 0.00 O ATOM 0 H ASP C 25 -7.244 2.433 -9.565 1.00 0.00 H new ATOM 0 HA ASP C 25 -7.017 1.268 -11.434 1.00 0.00 H new ATOM 0 HB2 ASP C 25 -9.247 0.240 -10.818 1.00 0.00 H new ATOM 0 HB3 ASP C 25 -10.017 1.412 -11.869 1.00 0.00 H new ATOM 1024 N SER C 26 -8.091 4.121 -12.218 1.00 0.00 N ATOM 1025 CA SER C 26 -8.033 5.219 -13.159 1.00 0.00 C ATOM 1026 C SER C 26 -6.595 5.481 -13.587 1.00 0.00 C ATOM 1027 O SER C 26 -6.326 5.782 -14.747 1.00 0.00 O ATOM 1028 CB SER C 26 -8.630 6.466 -12.512 1.00 0.00 C ATOM 1029 OG SER C 26 -9.882 6.170 -11.913 1.00 0.00 O ATOM 0 H SER C 26 -8.331 4.402 -11.267 1.00 0.00 H new ATOM 0 HA SER C 26 -8.608 4.961 -14.048 1.00 0.00 H new ATOM 0 HB2 SER C 26 -7.944 6.855 -11.759 1.00 0.00 H new ATOM 0 HB3 SER C 26 -8.756 7.246 -13.263 1.00 0.00 H new ATOM 0 HG SER C 26 -10.248 6.981 -11.502 1.00 0.00 H new ATOM 1035 N GLN C 27 -5.675 5.378 -12.640 1.00 0.00 N ATOM 1036 CA GLN C 27 -4.279 5.561 -12.926 1.00 0.00 C ATOM 1037 C GLN C 27 -3.517 4.254 -12.815 1.00 0.00 C ATOM 1038 O GLN C 27 -4.045 3.229 -12.384 1.00 0.00 O ATOM 1039 CB GLN C 27 -3.674 6.561 -11.967 1.00 0.00 C ATOM 1040 CG GLN C 27 -4.462 7.831 -11.918 1.00 0.00 C ATOM 1041 CD GLN C 27 -3.947 8.796 -10.889 1.00 0.00 C ATOM 1042 OE1 GLN C 27 -2.763 8.797 -10.552 1.00 0.00 O ATOM 1043 NE2 GLN C 27 -4.823 9.630 -10.387 1.00 0.00 N ATOM 0 H GLN C 27 -5.882 5.167 -11.664 1.00 0.00 H new ATOM 0 HA GLN C 27 -4.201 5.930 -13.949 1.00 0.00 H new ATOM 0 HB2 GLN C 27 -3.626 6.125 -10.969 1.00 0.00 H new ATOM 0 HB3 GLN C 27 -2.650 6.780 -12.269 1.00 0.00 H new ATOM 0 HG2 GLN C 27 -4.438 8.306 -12.899 1.00 0.00 H new ATOM 0 HG3 GLN C 27 -5.505 7.598 -11.702 1.00 0.00 H new ATOM 0 HE21 GLN C 27 -5.795 9.595 -10.694 1.00 0.00 H new ATOM 0 HE22 GLN C 27 -4.533 10.315 -9.689 1.00 0.00 H new ATOM 1052 N THR C 28 -2.269 4.346 -13.185 1.00 0.00 N ATOM 1053 CA THR C 28 -1.297 3.267 -13.089 1.00 0.00 C ATOM 1054 C THR C 28 0.089 3.851 -13.332 1.00 0.00 C ATOM 1055 O THR C 28 0.483 4.074 -14.481 1.00 0.00 O ATOM 1056 CB THR C 28 -1.523 2.139 -14.113 1.00 0.00 C ATOM 1057 OG1 THR C 28 -2.770 1.475 -13.876 1.00 0.00 O ATOM 1058 CG2 THR C 28 -0.366 1.154 -14.040 1.00 0.00 C ATOM 0 H THR C 28 -1.877 5.202 -13.577 1.00 0.00 H new ATOM 0 HA THR C 28 -1.403 2.830 -12.096 1.00 0.00 H new ATOM 0 HB THR C 28 -1.565 2.570 -15.113 1.00 0.00 H new ATOM 0 HG1 THR C 28 -3.226 1.896 -13.118 1.00 0.00 H new ATOM 0 HG21 THR C 28 -0.523 0.354 -14.764 1.00 0.00 H new ATOM 0 HG22 THR C 28 0.567 1.671 -14.267 1.00 0.00 H new ATOM 0 HG23 THR C 28 -0.312 0.730 -13.037 1.00 0.00 H new ATOM 1066 N ARG C 29 0.820 4.126 -12.273 1.00 0.00 N ATOM 1067 CA ARG C 29 2.119 4.754 -12.420 1.00 0.00 C ATOM 1068 C ARG C 29 3.175 4.025 -11.608 1.00 0.00 C ATOM 1069 O ARG C 29 2.857 3.110 -10.859 1.00 0.00 O ATOM 1070 CB ARG C 29 2.048 6.222 -12.010 1.00 0.00 C ATOM 1071 CG ARG C 29 1.228 7.085 -12.956 1.00 0.00 C ATOM 1072 CD ARG C 29 1.088 8.511 -12.444 1.00 0.00 C ATOM 1073 NE ARG C 29 0.391 9.368 -13.404 1.00 0.00 N ATOM 1074 CZ ARG C 29 -0.500 10.304 -13.073 1.00 0.00 C ATOM 1075 NH1 ARG C 29 -0.821 10.507 -11.801 1.00 0.00 N ATOM 1076 NH2 ARG C 29 -1.068 11.038 -14.023 1.00 0.00 N ATOM 0 H ARG C 29 0.543 3.928 -11.311 1.00 0.00 H new ATOM 0 HA ARG C 29 2.405 4.697 -13.470 1.00 0.00 H new ATOM 0 HB2 ARG C 29 1.621 6.290 -11.009 1.00 0.00 H new ATOM 0 HB3 ARG C 29 3.060 6.623 -11.953 1.00 0.00 H new ATOM 0 HG2 ARG C 29 1.700 7.097 -13.938 1.00 0.00 H new ATOM 0 HG3 ARG C 29 0.239 6.646 -13.083 1.00 0.00 H new ATOM 0 HD2 ARG C 29 0.544 8.506 -11.499 1.00 0.00 H new ATOM 0 HD3 ARG C 29 2.077 8.923 -12.240 1.00 0.00 H new ATOM 0 HE ARG C 29 0.601 9.241 -14.394 1.00 0.00 H new ATOM 0 HH11 ARG C 29 -0.385 9.946 -11.069 1.00 0.00 H new ATOM 0 HH12 ARG C 29 -1.503 11.225 -11.555 1.00 0.00 H new ATOM 0 HH21 ARG C 29 -0.822 10.885 -15.001 1.00 0.00 H new ATOM 0 HH22 ARG C 29 -1.750 11.755 -13.775 1.00 0.00 H new ATOM 1090 N THR C 30 4.433 4.406 -11.780 1.00 0.00 N ATOM 1091 CA THR C 30 5.518 3.751 -11.131 1.00 0.00 C ATOM 1092 C THR C 30 6.251 4.653 -10.130 1.00 0.00 C ATOM 1093 O THR C 30 6.311 5.872 -10.299 1.00 0.00 O ATOM 1094 CB THR C 30 6.495 3.311 -12.192 1.00 0.00 C ATOM 1095 OG1 THR C 30 6.571 4.292 -13.238 1.00 0.00 O ATOM 1096 CG2 THR C 30 6.136 1.964 -12.774 1.00 0.00 C ATOM 0 H THR C 30 4.712 5.183 -12.379 1.00 0.00 H new ATOM 0 HA THR C 30 5.114 2.910 -10.567 1.00 0.00 H new ATOM 0 HB THR C 30 7.469 3.214 -11.712 1.00 0.00 H new ATOM 0 HG1 THR C 30 7.210 3.995 -13.919 1.00 0.00 H new ATOM 0 HG21 THR C 30 6.868 1.689 -13.534 1.00 0.00 H new ATOM 0 HG22 THR C 30 6.135 1.214 -11.983 1.00 0.00 H new ATOM 0 HG23 THR C 30 5.146 2.015 -13.226 1.00 0.00 H new ATOM 1104 N PHE C 31 6.831 4.021 -9.112 1.00 0.00 N ATOM 1105 CA PHE C 31 7.545 4.692 -8.032 1.00 0.00 C ATOM 1106 C PHE C 31 8.811 3.943 -7.715 1.00 0.00 C ATOM 1107 O PHE C 31 9.016 3.479 -6.595 1.00 0.00 O ATOM 1108 CB PHE C 31 6.681 4.728 -6.790 1.00 0.00 C ATOM 1109 CG PHE C 31 5.464 5.527 -6.980 1.00 0.00 C ATOM 1110 CD1 PHE C 31 5.571 6.782 -7.513 1.00 0.00 C ATOM 1111 CD2 PHE C 31 4.231 5.038 -6.626 1.00 0.00 C ATOM 1112 CE1 PHE C 31 4.453 7.559 -7.702 1.00 0.00 C ATOM 1113 CE2 PHE C 31 3.106 5.795 -6.809 1.00 0.00 C ATOM 1114 CZ PHE C 31 3.209 7.065 -7.349 1.00 0.00 C ATOM 0 H PHE C 31 6.816 3.006 -9.014 1.00 0.00 H new ATOM 0 HA PHE C 31 7.783 5.708 -8.348 1.00 0.00 H new ATOM 0 HB2 PHE C 31 6.405 3.711 -6.513 1.00 0.00 H new ATOM 0 HB3 PHE C 31 7.257 5.139 -5.961 1.00 0.00 H new ATOM 0 HD1 PHE C 31 6.542 7.166 -7.788 1.00 0.00 H new ATOM 0 HD2 PHE C 31 4.148 4.049 -6.200 1.00 0.00 H new ATOM 0 HE1 PHE C 31 4.545 8.549 -8.123 1.00 0.00 H new ATOM 0 HE2 PHE C 31 2.139 5.402 -6.532 1.00 0.00 H new ATOM 0 HZ PHE C 31 2.324 7.667 -7.494 1.00 0.00 H new ATOM 1124 N ILE C 32 9.642 3.814 -8.711 1.00 0.00 N ATOM 1125 CA ILE C 32 10.813 2.986 -8.612 1.00 0.00 C ATOM 1126 C ILE C 32 11.750 3.372 -7.515 1.00 0.00 C ATOM 1127 O ILE C 32 12.255 4.491 -7.416 1.00 0.00 O ATOM 1128 CB ILE C 32 11.545 2.902 -9.926 1.00 0.00 C ATOM 1129 CG1 ILE C 32 10.629 2.252 -10.852 1.00 0.00 C ATOM 1130 CG2 ILE C 32 12.756 2.035 -9.804 1.00 0.00 C ATOM 1131 CD1 ILE C 32 9.960 3.149 -11.857 1.00 0.00 C ATOM 0 H ILE C 32 9.528 4.278 -9.612 1.00 0.00 H new ATOM 0 HA ILE C 32 10.434 1.998 -8.350 1.00 0.00 H new ATOM 0 HB ILE C 32 11.857 3.895 -10.251 1.00 0.00 H new ATOM 0 HG12 ILE C 32 11.177 1.480 -11.392 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.855 1.748 -10.273 1.00 0.00 H new ATOM 0 HG21 ILE C 32 13.269 1.989 -10.765 1.00 0.00 H new ATOM 0 HG22 ILE C 32 13.428 2.452 -9.054 1.00 0.00 H new ATOM 0 HG23 ILE C 32 12.456 1.031 -9.504 1.00 0.00 H new ATOM 0 HD11 ILE C 32 9.302 2.556 -12.492 1.00 0.00 H new ATOM 0 HD12 ILE C 32 9.375 3.907 -11.336 1.00 0.00 H new ATOM 0 HD13 ILE C 32 10.717 3.635 -12.472 1.00 0.00 H new ATOM 1143 N VAL C 33 11.954 2.374 -6.711 1.00 0.00 N ATOM 1144 CA VAL C 33 12.830 2.450 -5.555 1.00 0.00 C ATOM 1145 C VAL C 33 13.888 1.377 -5.588 1.00 0.00 C ATOM 1146 O VAL C 33 14.045 0.678 -6.578 1.00 0.00 O ATOM 1147 CB VAL C 33 12.036 2.297 -4.263 1.00 0.00 C ATOM 1148 CG1 VAL C 33 11.240 3.541 -4.025 1.00 0.00 C ATOM 1149 CG2 VAL C 33 11.121 1.086 -4.335 1.00 0.00 C ATOM 0 H VAL C 33 11.514 1.462 -6.832 1.00 0.00 H new ATOM 0 HA VAL C 33 13.308 3.429 -5.589 1.00 0.00 H new ATOM 0 HB VAL C 33 12.727 2.145 -3.434 1.00 0.00 H new ATOM 0 HG11 VAL C 33 10.670 3.437 -3.102 1.00 0.00 H new ATOM 0 HG12 VAL C 33 11.914 4.394 -3.941 1.00 0.00 H new ATOM 0 HG13 VAL C 33 10.555 3.700 -4.858 1.00 0.00 H new ATOM 0 HG21 VAL C 33 10.564 0.995 -3.403 1.00 0.00 H new ATOM 0 HG22 VAL C 33 10.424 1.205 -5.164 1.00 0.00 H new ATOM 0 HG23 VAL C 33 11.718 0.187 -4.490 1.00 0.00 H new ATOM 1159 N GLY C 34 14.598 1.248 -4.482 1.00 0.00 N ATOM 1160 CA GLY C 34 15.665 0.272 -4.404 1.00 0.00 C ATOM 1161 C GLY C 34 15.490 -0.735 -3.284 1.00 0.00 C ATOM 1162 O GLY C 34 16.417 -1.004 -2.529 1.00 0.00 O ATOM 0 H GLY C 34 14.457 1.800 -3.636 1.00 0.00 H new ATOM 0 HA2 GLY C 34 15.728 -0.261 -5.353 1.00 0.00 H new ATOM 0 HA3 GLY C 34 16.613 0.793 -4.267 1.00 0.00 H new ATOM 1166 N ALA C 35 14.274 -1.254 -3.167 1.00 0.00 N ATOM 1167 CA ALA C 35 13.973 -2.443 -2.360 1.00 0.00 C ATOM 1168 C ALA C 35 14.112 -2.270 -0.864 1.00 0.00 C ATOM 1169 O ALA C 35 14.086 -3.258 -0.135 1.00 0.00 O ATOM 1170 CB ALA C 35 14.836 -3.617 -2.793 1.00 0.00 C ATOM 0 H ALA C 35 13.456 -0.861 -3.633 1.00 0.00 H new ATOM 0 HA ALA C 35 12.916 -2.629 -2.549 1.00 0.00 H new ATOM 0 HB1 ALA C 35 14.598 -4.488 -2.183 1.00 0.00 H new ATOM 0 HB2 ALA C 35 14.642 -3.844 -3.841 1.00 0.00 H new ATOM 0 HB3 ALA C 35 15.888 -3.362 -2.666 1.00 0.00 H new ATOM 1176 N GLN C 36 14.141 -1.038 -0.399 1.00 0.00 N ATOM 1177 CA GLN C 36 14.645 -0.759 0.953 1.00 0.00 C ATOM 1178 C GLN C 36 15.056 0.694 1.055 1.00 0.00 C ATOM 1179 O GLN C 36 15.365 1.195 2.132 1.00 0.00 O ATOM 1180 CB GLN C 36 15.836 -1.691 1.217 1.00 0.00 C ATOM 1181 CG GLN C 36 17.112 -1.327 0.495 1.00 0.00 C ATOM 1182 CD GLN C 36 18.253 -2.167 1.001 1.00 0.00 C ATOM 1183 OE1 GLN C 36 17.931 -3.356 1.480 1.00 0.00 O flip ATOM 1184 NE2 GLN C 36 19.414 -1.756 0.980 1.00 0.00 N flip ATOM 0 H GLN C 36 13.829 -0.217 -0.919 1.00 0.00 H new ATOM 0 HA GLN C 36 13.872 -0.938 1.700 1.00 0.00 H new ATOM 0 HB2 GLN C 36 16.035 -1.704 2.289 1.00 0.00 H new ATOM 0 HB3 GLN C 36 15.553 -2.705 0.933 1.00 0.00 H new ATOM 0 HG2 GLN C 36 16.987 -1.478 -0.577 1.00 0.00 H new ATOM 0 HG3 GLN C 36 17.334 -0.270 0.645 1.00 0.00 H new ATOM 0 HE21 GLN C 36 19.621 -0.832 0.602 1.00 0.00 H new ATOM 0 HE22 GLN C 36 20.168 -2.340 1.341 1.00 0.00 H new ATOM 1193 N MET C 37 15.061 1.341 -0.106 1.00 0.00 N ATOM 1194 CA MET C 37 15.323 2.764 -0.237 1.00 0.00 C ATOM 1195 C MET C 37 14.672 3.595 0.877 1.00 0.00 C ATOM 1196 O MET C 37 15.369 4.183 1.699 1.00 0.00 O ATOM 1197 CB MET C 37 14.824 3.183 -1.592 1.00 0.00 C ATOM 1198 CG MET C 37 14.777 4.668 -1.828 1.00 0.00 C ATOM 1199 SD MET C 37 16.410 5.425 -1.887 1.00 0.00 S ATOM 1200 CE MET C 37 15.976 7.141 -2.169 1.00 0.00 C ATOM 0 H MET C 37 14.879 0.879 -0.997 1.00 0.00 H new ATOM 0 HA MET C 37 16.393 2.946 -0.140 1.00 0.00 H new ATOM 0 HB2 MET C 37 15.462 2.731 -2.352 1.00 0.00 H new ATOM 0 HB3 MET C 37 13.822 2.777 -1.734 1.00 0.00 H new ATOM 0 HG2 MET C 37 14.258 4.865 -2.766 1.00 0.00 H new ATOM 0 HG3 MET C 37 14.194 5.138 -1.036 1.00 0.00 H new ATOM 0 HE1 MET C 37 16.752 7.619 -2.767 1.00 0.00 H new ATOM 0 HE2 MET C 37 15.025 7.193 -2.700 1.00 0.00 H new ATOM 0 HE3 MET C 37 15.886 7.656 -1.212 1.00 0.00 H new ATOM 1210 N ASN C 38 13.341 3.642 0.904 1.00 0.00 N ATOM 1211 CA ASN C 38 12.623 4.363 1.958 1.00 0.00 C ATOM 1212 C ASN C 38 11.301 3.731 2.272 1.00 0.00 C ATOM 1213 O ASN C 38 11.216 2.868 3.134 1.00 0.00 O ATOM 1214 CB ASN C 38 12.385 5.828 1.590 1.00 0.00 C ATOM 1215 CG ASN C 38 13.542 6.729 1.939 1.00 0.00 C ATOM 1216 OD1 ASN C 38 13.676 7.153 3.084 1.00 0.00 O ATOM 1217 ND2 ASN C 38 14.342 7.073 0.958 1.00 0.00 N ATOM 0 H ASN C 38 12.740 3.193 0.213 1.00 0.00 H new ATOM 0 HA ASN C 38 13.265 4.311 2.837 1.00 0.00 H new ATOM 0 HB2 ASN C 38 12.189 5.899 0.520 1.00 0.00 H new ATOM 0 HB3 ASN C 38 11.491 6.183 2.102 1.00 0.00 H new ATOM 0 HD21 ASN C 38 15.113 7.718 1.131 1.00 0.00 H new ATOM 0 HD22 ASN C 38 14.193 6.696 0.022 1.00 0.00 H new ATOM 1224 N VAL C 39 10.303 4.172 1.532 1.00 0.00 N ATOM 1225 CA VAL C 39 8.894 3.921 1.799 1.00 0.00 C ATOM 1226 C VAL C 39 8.295 4.994 2.701 1.00 0.00 C ATOM 1227 O VAL C 39 7.114 5.285 2.633 1.00 0.00 O ATOM 1228 CB VAL C 39 8.582 2.532 2.329 1.00 0.00 C ATOM 1229 CG1 VAL C 39 8.468 2.591 3.805 1.00 0.00 C ATOM 1230 CG2 VAL C 39 7.288 2.061 1.731 1.00 0.00 C ATOM 0 H VAL C 39 10.453 4.737 0.696 1.00 0.00 H new ATOM 0 HA VAL C 39 8.417 3.970 0.820 1.00 0.00 H new ATOM 0 HB VAL C 39 9.377 1.837 2.059 1.00 0.00 H new ATOM 0 HG11 VAL C 39 8.244 1.597 4.193 1.00 0.00 H new ATOM 0 HG12 VAL C 39 9.409 2.942 4.229 1.00 0.00 H new ATOM 0 HG13 VAL C 39 7.667 3.277 4.081 1.00 0.00 H new ATOM 0 HG21 VAL C 39 7.056 1.064 2.106 1.00 0.00 H new ATOM 0 HG22 VAL C 39 6.488 2.748 2.007 1.00 0.00 H new ATOM 0 HG23 VAL C 39 7.380 2.028 0.645 1.00 0.00 H new ATOM 1240 N LYS C 40 9.125 5.587 3.523 1.00 0.00 N ATOM 1241 CA LYS C 40 8.725 6.671 4.367 1.00 0.00 C ATOM 1242 C LYS C 40 8.765 7.950 3.570 1.00 0.00 C ATOM 1243 O LYS C 40 7.741 8.528 3.203 1.00 0.00 O ATOM 1244 CB LYS C 40 9.682 6.754 5.555 1.00 0.00 C ATOM 1245 CG LYS C 40 10.246 5.423 5.991 1.00 0.00 C ATOM 1246 CD LYS C 40 11.680 5.226 5.512 1.00 0.00 C ATOM 1247 CE LYS C 40 12.652 6.186 6.191 1.00 0.00 C ATOM 1248 NZ LYS C 40 12.735 5.958 7.661 1.00 0.00 N ATOM 0 H LYS C 40 10.105 5.324 3.621 1.00 0.00 H new ATOM 0 HA LYS C 40 7.712 6.513 4.737 1.00 0.00 H new ATOM 0 HB2 LYS C 40 10.507 7.418 5.297 1.00 0.00 H new ATOM 0 HB3 LYS C 40 9.159 7.208 6.397 1.00 0.00 H new ATOM 0 HG2 LYS C 40 10.214 5.354 7.078 1.00 0.00 H new ATOM 0 HG3 LYS C 40 9.620 4.619 5.603 1.00 0.00 H new ATOM 0 HD2 LYS C 40 11.989 4.199 5.709 1.00 0.00 H new ATOM 0 HD3 LYS C 40 11.724 5.371 4.433 1.00 0.00 H new ATOM 0 HE2 LYS C 40 13.642 6.069 5.751 1.00 0.00 H new ATOM 0 HE3 LYS C 40 12.338 7.212 6.002 1.00 0.00 H new ATOM 0 HZ1 LYS C 40 12.338 6.778 8.162 1.00 0.00 H new ATOM 0 HZ2 LYS C 40 12.196 5.105 7.911 1.00 0.00 H new ATOM 0 HZ3 LYS C 40 13.730 5.832 7.937 1.00 0.00 H new ATOM 1262 N GLU C 41 9.976 8.350 3.287 1.00 0.00 N ATOM 1263 CA GLU C 41 10.252 9.461 2.431 1.00 0.00 C ATOM 1264 C GLU C 41 9.756 9.196 1.011 1.00 0.00 C ATOM 1265 O GLU C 41 9.449 10.119 0.257 1.00 0.00 O ATOM 1266 CB GLU C 41 11.742 9.704 2.451 1.00 0.00 C ATOM 1267 CG GLU C 41 12.249 10.211 3.792 1.00 0.00 C ATOM 1268 CD GLU C 41 13.724 10.559 3.777 1.00 0.00 C ATOM 1269 OE1 GLU C 41 14.105 11.518 3.078 1.00 0.00 O ATOM 1270 OE2 GLU C 41 14.508 9.881 4.477 1.00 0.00 O ATOM 0 H GLU C 41 10.813 7.899 3.656 1.00 0.00 H new ATOM 0 HA GLU C 41 9.726 10.347 2.787 1.00 0.00 H new ATOM 0 HB2 GLU C 41 12.258 8.777 2.202 1.00 0.00 H new ATOM 0 HB3 GLU C 41 11.996 10.428 1.677 1.00 0.00 H new ATOM 0 HG2 GLU C 41 11.677 11.093 4.080 1.00 0.00 H new ATOM 0 HG3 GLU C 41 12.069 9.451 4.553 1.00 0.00 H new ATOM 1277 N PHE C 42 9.703 7.920 0.666 1.00 0.00 N ATOM 1278 CA PHE C 42 9.132 7.462 -0.591 1.00 0.00 C ATOM 1279 C PHE C 42 7.697 7.950 -0.700 1.00 0.00 C ATOM 1280 O PHE C 42 7.331 8.600 -1.674 1.00 0.00 O ATOM 1281 CB PHE C 42 9.212 5.930 -0.626 1.00 0.00 C ATOM 1282 CG PHE C 42 8.188 5.210 -1.475 1.00 0.00 C ATOM 1283 CD1 PHE C 42 6.882 5.058 -1.037 1.00 0.00 C ATOM 1284 CD2 PHE C 42 8.539 4.670 -2.694 1.00 0.00 C ATOM 1285 CE1 PHE C 42 5.951 4.389 -1.798 1.00 0.00 C ATOM 1286 CE2 PHE C 42 7.610 3.995 -3.464 1.00 0.00 C ATOM 1287 CZ PHE C 42 6.313 3.858 -3.014 1.00 0.00 C ATOM 0 H PHE C 42 10.058 7.166 1.255 1.00 0.00 H new ATOM 0 HA PHE C 42 9.684 7.862 -1.441 1.00 0.00 H new ATOM 0 HB2 PHE C 42 10.204 5.650 -0.981 1.00 0.00 H new ATOM 0 HB3 PHE C 42 9.124 5.562 0.396 1.00 0.00 H new ATOM 0 HD1 PHE C 42 6.590 5.471 -0.083 1.00 0.00 H new ATOM 0 HD2 PHE C 42 9.552 4.776 -3.052 1.00 0.00 H new ATOM 0 HE1 PHE C 42 4.937 4.281 -1.441 1.00 0.00 H new ATOM 0 HE2 PHE C 42 7.899 3.576 -4.416 1.00 0.00 H new ATOM 0 HZ PHE C 42 5.584 3.335 -3.615 1.00 0.00 H new ATOM 1297 N LYS C 43 6.905 7.675 0.333 1.00 0.00 N ATOM 1298 CA LYS C 43 5.505 8.073 0.333 1.00 0.00 C ATOM 1299 C LYS C 43 5.357 9.583 0.234 1.00 0.00 C ATOM 1300 O LYS C 43 4.516 10.088 -0.510 1.00 0.00 O ATOM 1301 CB LYS C 43 4.800 7.595 1.591 1.00 0.00 C ATOM 1302 CG LYS C 43 4.528 6.101 1.640 1.00 0.00 C ATOM 1303 CD LYS C 43 3.964 5.684 2.989 1.00 0.00 C ATOM 1304 CE LYS C 43 2.721 6.487 3.351 1.00 0.00 C ATOM 1305 NZ LYS C 43 2.182 6.146 4.696 1.00 0.00 N ATOM 0 H LYS C 43 7.208 7.182 1.173 1.00 0.00 H new ATOM 0 HA LYS C 43 5.047 7.609 -0.540 1.00 0.00 H new ATOM 0 HB2 LYS C 43 5.405 7.869 2.456 1.00 0.00 H new ATOM 0 HB3 LYS C 43 3.853 8.126 1.684 1.00 0.00 H new ATOM 0 HG2 LYS C 43 3.826 5.831 0.851 1.00 0.00 H new ATOM 0 HG3 LYS C 43 5.451 5.555 1.445 1.00 0.00 H new ATOM 0 HD2 LYS C 43 3.718 4.622 2.969 1.00 0.00 H new ATOM 0 HD3 LYS C 43 4.723 5.821 3.759 1.00 0.00 H new ATOM 0 HE2 LYS C 43 2.960 7.550 3.320 1.00 0.00 H new ATOM 0 HE3 LYS C 43 1.950 6.311 2.601 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 1.761 6.994 5.127 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 1.455 5.409 4.602 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 2.953 5.797 5.301 1.00 0.00 H new ATOM 1319 N GLU C 44 6.176 10.291 0.999 1.00 0.00 N ATOM 1320 CA GLU C 44 6.176 11.736 1.019 1.00 0.00 C ATOM 1321 C GLU C 44 6.361 12.310 -0.383 1.00 0.00 C ATOM 1322 O GLU C 44 5.735 13.306 -0.748 1.00 0.00 O ATOM 1323 CB GLU C 44 7.300 12.196 1.924 1.00 0.00 C ATOM 1324 CG GLU C 44 7.075 13.561 2.514 1.00 0.00 C ATOM 1325 CD GLU C 44 8.110 13.919 3.556 1.00 0.00 C ATOM 1326 OE1 GLU C 44 9.259 14.224 3.181 1.00 0.00 O ATOM 1327 OE2 GLU C 44 7.775 13.897 4.758 1.00 0.00 O ATOM 0 H GLU C 44 6.862 9.870 1.626 1.00 0.00 H new ATOM 0 HA GLU C 44 5.216 12.092 1.392 1.00 0.00 H new ATOM 0 HB2 GLU C 44 7.423 11.475 2.732 1.00 0.00 H new ATOM 0 HB3 GLU C 44 8.232 12.202 1.358 1.00 0.00 H new ATOM 0 HG2 GLU C 44 7.093 14.305 1.718 1.00 0.00 H new ATOM 0 HG3 GLU C 44 6.083 13.600 2.964 1.00 0.00 H new ATOM 1334 N HIS C 45 7.220 11.672 -1.161 1.00 0.00 N ATOM 1335 CA HIS C 45 7.495 12.093 -2.513 1.00 0.00 C ATOM 1336 C HIS C 45 6.314 11.840 -3.443 1.00 0.00 C ATOM 1337 O HIS C 45 5.954 12.700 -4.246 1.00 0.00 O ATOM 1338 CB HIS C 45 8.734 11.368 -3.014 1.00 0.00 C ATOM 1339 CG HIS C 45 10.012 12.066 -2.676 1.00 0.00 C ATOM 1340 ND1 HIS C 45 10.834 11.676 -1.643 1.00 0.00 N ATOM 1341 CD2 HIS C 45 10.609 13.135 -3.247 1.00 0.00 C ATOM 1342 CE1 HIS C 45 11.881 12.476 -1.592 1.00 0.00 C ATOM 1343 NE2 HIS C 45 11.769 13.369 -2.555 1.00 0.00 N ATOM 0 H HIS C 45 7.744 10.848 -0.867 1.00 0.00 H new ATOM 0 HA HIS C 45 7.668 13.169 -2.510 1.00 0.00 H new ATOM 0 HB2 HIS C 45 8.754 10.364 -2.589 1.00 0.00 H new ATOM 0 HB3 HIS C 45 8.666 11.255 -4.096 1.00 0.00 H new ATOM 0 HD1 HIS C 45 10.660 10.891 -1.015 1.00 0.00 H new ATOM 0 HD2 HIS C 45 10.241 13.700 -4.091 1.00 0.00 H new ATOM 0 HE1 HIS C 45 12.692 12.411 -0.882 1.00 0.00 H new ATOM 1352 N ILE C 46 5.699 10.669 -3.327 1.00 0.00 N ATOM 1353 CA ILE C 46 4.639 10.281 -4.238 1.00 0.00 C ATOM 1354 C ILE C 46 3.320 10.951 -3.858 1.00 0.00 C ATOM 1355 O ILE C 46 2.362 10.925 -4.630 1.00 0.00 O ATOM 1356 CB ILE C 46 4.453 8.748 -4.258 1.00 0.00 C ATOM 1357 CG1 ILE C 46 3.570 8.285 -3.112 1.00 0.00 C ATOM 1358 CG2 ILE C 46 5.791 8.043 -4.154 1.00 0.00 C ATOM 1359 CD1 ILE C 46 3.255 6.807 -3.164 1.00 0.00 C ATOM 0 H ILE C 46 5.918 9.976 -2.612 1.00 0.00 H new ATOM 0 HA ILE C 46 4.931 10.612 -5.235 1.00 0.00 H new ATOM 0 HB ILE C 46 3.975 8.496 -5.205 1.00 0.00 H new ATOM 0 HG12 ILE C 46 4.063 8.512 -2.167 1.00 0.00 H new ATOM 0 HG13 ILE C 46 2.638 8.850 -3.129 1.00 0.00 H new ATOM 0 HG21 ILE C 46 5.636 6.964 -4.170 1.00 0.00 H new ATOM 0 HG22 ILE C 46 6.421 8.332 -4.996 1.00 0.00 H new ATOM 0 HG23 ILE C 46 6.280 8.326 -3.222 1.00 0.00 H new ATOM 0 HD11 ILE C 46 2.621 6.540 -2.318 1.00 0.00 H new ATOM 0 HD12 ILE C 46 2.734 6.578 -4.094 1.00 0.00 H new ATOM 0 HD13 ILE C 46 4.182 6.236 -3.117 1.00 0.00 H new ATOM 1371 N ALA C 47 3.297 11.553 -2.664 1.00 0.00 N ATOM 1372 CA ALA C 47 2.110 12.199 -2.115 1.00 0.00 C ATOM 1373 C ALA C 47 1.353 13.015 -3.153 1.00 0.00 C ATOM 1374 O ALA C 47 0.174 12.787 -3.379 1.00 0.00 O ATOM 1375 CB ALA C 47 2.499 13.086 -0.941 1.00 0.00 C ATOM 0 H ALA C 47 4.110 11.603 -2.050 1.00 0.00 H new ATOM 0 HA ALA C 47 1.440 11.407 -1.779 1.00 0.00 H new ATOM 0 HB1 ALA C 47 1.608 13.565 -0.536 1.00 0.00 H new ATOM 0 HB2 ALA C 47 2.968 12.479 -0.167 1.00 0.00 H new ATOM 0 HB3 ALA C 47 3.200 13.850 -1.278 1.00 0.00 H new ATOM 1381 N ALA C 48 2.032 13.946 -3.798 1.00 0.00 N ATOM 1382 CA ALA C 48 1.374 14.831 -4.747 1.00 0.00 C ATOM 1383 C ALA C 48 0.954 14.101 -6.012 1.00 0.00 C ATOM 1384 O ALA C 48 -0.123 14.355 -6.553 1.00 0.00 O ATOM 1385 CB ALA C 48 2.274 15.982 -5.112 1.00 0.00 C ATOM 0 H ALA C 48 3.032 14.110 -3.685 1.00 0.00 H new ATOM 0 HA ALA C 48 0.476 15.207 -4.257 1.00 0.00 H new ATOM 0 HB1 ALA C 48 1.763 16.632 -5.823 1.00 0.00 H new ATOM 0 HB2 ALA C 48 2.522 16.549 -4.215 1.00 0.00 H new ATOM 0 HB3 ALA C 48 3.189 15.599 -5.563 1.00 0.00 H new ATOM 1391 N SER C 49 1.801 13.198 -6.481 1.00 0.00 N ATOM 1392 CA SER C 49 1.546 12.481 -7.720 1.00 0.00 C ATOM 1393 C SER C 49 0.291 11.622 -7.606 1.00 0.00 C ATOM 1394 O SER C 49 -0.391 11.357 -8.599 1.00 0.00 O ATOM 1395 CB SER C 49 2.748 11.629 -8.074 1.00 0.00 C ATOM 1396 OG SER C 49 3.791 11.793 -7.123 1.00 0.00 O ATOM 0 H SER C 49 2.675 12.944 -6.020 1.00 0.00 H new ATOM 0 HA SER C 49 1.379 13.207 -8.516 1.00 0.00 H new ATOM 0 HB2 SER C 49 2.454 10.580 -8.118 1.00 0.00 H new ATOM 0 HB3 SER C 49 3.110 11.900 -9.066 1.00 0.00 H new ATOM 0 HG SER C 49 4.554 11.231 -7.374 1.00 0.00 H new ATOM 1402 N VAL C 50 -0.011 11.197 -6.389 1.00 0.00 N ATOM 1403 CA VAL C 50 -1.207 10.414 -6.135 1.00 0.00 C ATOM 1404 C VAL C 50 -2.253 11.224 -5.384 1.00 0.00 C ATOM 1405 O VAL C 50 -3.322 10.703 -5.073 1.00 0.00 O ATOM 1406 CB VAL C 50 -0.887 9.128 -5.348 1.00 0.00 C ATOM 1407 CG1 VAL C 50 0.020 8.225 -6.166 1.00 0.00 C ATOM 1408 CG2 VAL C 50 -0.255 9.459 -4.005 1.00 0.00 C ATOM 0 H VAL C 50 0.557 11.382 -5.562 1.00 0.00 H new ATOM 0 HA VAL C 50 -1.611 10.135 -7.108 1.00 0.00 H new ATOM 0 HB VAL C 50 -1.820 8.598 -5.156 1.00 0.00 H new ATOM 0 HG11 VAL C 50 0.239 7.320 -5.600 1.00 0.00 H new ATOM 0 HG12 VAL C 50 -0.477 7.958 -7.098 1.00 0.00 H new ATOM 0 HG13 VAL C 50 0.950 8.748 -6.388 1.00 0.00 H new ATOM 0 HG21 VAL C 50 -0.038 8.536 -3.468 1.00 0.00 H new ATOM 0 HG22 VAL C 50 0.671 10.012 -4.165 1.00 0.00 H new ATOM 0 HG23 VAL C 50 -0.944 10.067 -3.419 1.00 0.00 H new ATOM 1418 N SER C 51 -1.918 12.485 -5.065 1.00 0.00 N ATOM 1419 CA SER C 51 -2.824 13.419 -4.401 1.00 0.00 C ATOM 1420 C SER C 51 -3.169 12.894 -3.023 1.00 0.00 C ATOM 1421 O SER C 51 -4.197 13.233 -2.437 1.00 0.00 O ATOM 1422 CB SER C 51 -4.090 13.704 -5.237 1.00 0.00 C ATOM 1423 OG SER C 51 -4.947 12.576 -5.337 1.00 0.00 O ATOM 0 H SER C 51 -1.000 12.882 -5.265 1.00 0.00 H new ATOM 0 HA SER C 51 -2.313 14.376 -4.298 1.00 0.00 H new ATOM 0 HB2 SER C 51 -4.638 14.532 -4.788 1.00 0.00 H new ATOM 0 HB3 SER C 51 -3.796 14.021 -6.237 1.00 0.00 H new ATOM 0 HG SER C 51 -4.549 11.819 -4.859 1.00 0.00 H new ATOM 1429 N ILE C 52 -2.278 12.056 -2.516 1.00 0.00 N ATOM 1430 CA ILE C 52 -2.452 11.460 -1.218 1.00 0.00 C ATOM 1431 C ILE C 52 -1.203 11.657 -0.361 1.00 0.00 C ATOM 1432 O ILE C 52 -0.154 11.101 -0.666 1.00 0.00 O ATOM 1433 CB ILE C 52 -2.738 9.948 -1.304 1.00 0.00 C ATOM 1434 CG1 ILE C 52 -3.949 9.650 -2.192 1.00 0.00 C ATOM 1435 CG2 ILE C 52 -2.975 9.404 0.093 1.00 0.00 C ATOM 1436 CD1 ILE C 52 -5.266 9.811 -1.471 1.00 0.00 C ATOM 0 H ILE C 52 -1.422 11.777 -2.996 1.00 0.00 H new ATOM 0 HA ILE C 52 -3.309 11.959 -0.766 1.00 0.00 H new ATOM 0 HB ILE C 52 -1.873 9.462 -1.754 1.00 0.00 H new ATOM 0 HG12 ILE C 52 -3.931 10.314 -3.056 1.00 0.00 H new ATOM 0 HG13 ILE C 52 -3.872 8.631 -2.572 1.00 0.00 H new ATOM 0 HG21 ILE C 52 -3.178 8.334 0.037 1.00 0.00 H new ATOM 0 HG22 ILE C 52 -2.089 9.574 0.705 1.00 0.00 H new ATOM 0 HG23 ILE C 52 -3.829 9.912 0.541 1.00 0.00 H new ATOM 0 HD11 ILE C 52 -6.085 9.586 -2.154 1.00 0.00 H new ATOM 0 HD12 ILE C 52 -5.302 9.127 -0.623 1.00 0.00 H new ATOM 0 HD13 ILE C 52 -5.363 10.837 -1.115 1.00 0.00 H new ATOM 1448 N PRO C 53 -1.301 12.429 0.728 1.00 0.00 N ATOM 1449 CA PRO C 53 -0.174 12.674 1.626 1.00 0.00 C ATOM 1450 C PRO C 53 0.151 11.456 2.474 1.00 0.00 C ATOM 1451 O PRO C 53 -0.741 10.721 2.885 1.00 0.00 O ATOM 1452 CB PRO C 53 -0.654 13.802 2.523 1.00 0.00 C ATOM 1453 CG PRO C 53 -1.972 14.249 1.987 1.00 0.00 C ATOM 1454 CD PRO C 53 -2.513 13.108 1.186 1.00 0.00 C ATOM 0 HA PRO C 53 0.734 12.910 1.070 1.00 0.00 H new ATOM 0 HB2 PRO C 53 -0.752 13.461 3.554 1.00 0.00 H new ATOM 0 HB3 PRO C 53 0.061 14.625 2.526 1.00 0.00 H new ATOM 0 HG2 PRO C 53 -2.652 14.511 2.798 1.00 0.00 H new ATOM 0 HG3 PRO C 53 -1.857 15.138 1.367 1.00 0.00 H new ATOM 0 HD2 PRO C 53 -3.140 12.452 1.789 1.00 0.00 H new ATOM 0 HD3 PRO C 53 -3.123 13.453 0.351 1.00 0.00 H new ATOM 1462 N SER C 54 1.444 11.282 2.756 1.00 0.00 N ATOM 1463 CA SER C 54 1.968 10.110 3.461 1.00 0.00 C ATOM 1464 C SER C 54 1.249 9.850 4.789 1.00 0.00 C ATOM 1465 O SER C 54 1.199 8.710 5.251 1.00 0.00 O ATOM 1466 CB SER C 54 3.481 10.269 3.692 1.00 0.00 C ATOM 1467 OG SER C 54 4.016 9.182 4.430 1.00 0.00 O ATOM 0 H SER C 54 2.164 11.957 2.499 1.00 0.00 H new ATOM 0 HA SER C 54 1.783 9.242 2.828 1.00 0.00 H new ATOM 0 HB2 SER C 54 3.990 10.342 2.731 1.00 0.00 H new ATOM 0 HB3 SER C 54 3.672 11.200 4.226 1.00 0.00 H new ATOM 0 HG SER C 54 4.979 9.315 4.557 1.00 0.00 H new ATOM 1473 N GLU C 55 0.679 10.893 5.387 1.00 0.00 N ATOM 1474 CA GLU C 55 -0.023 10.746 6.662 1.00 0.00 C ATOM 1475 C GLU C 55 -1.342 9.981 6.492 1.00 0.00 C ATOM 1476 O GLU C 55 -1.810 9.319 7.420 1.00 0.00 O ATOM 1477 CB GLU C 55 -0.282 12.111 7.287 1.00 0.00 C ATOM 1478 CG GLU C 55 -1.082 13.007 6.405 1.00 0.00 C ATOM 1479 CD GLU C 55 -1.405 14.339 7.040 1.00 0.00 C ATOM 1480 OE1 GLU C 55 -2.359 14.402 7.838 1.00 0.00 O ATOM 1481 OE2 GLU C 55 -0.716 15.332 6.734 1.00 0.00 O ATOM 0 H GLU C 55 0.688 11.842 5.014 1.00 0.00 H new ATOM 0 HA GLU C 55 0.617 10.167 7.328 1.00 0.00 H new ATOM 0 HB2 GLU C 55 -0.806 11.979 8.234 1.00 0.00 H new ATOM 0 HB3 GLU C 55 0.671 12.589 7.514 1.00 0.00 H new ATOM 0 HG2 GLU C 55 -0.533 13.178 5.479 1.00 0.00 H new ATOM 0 HG3 GLU C 55 -2.012 12.505 6.137 1.00 0.00 H new ATOM 1488 N LYS C 56 -1.927 10.064 5.304 1.00 0.00 N ATOM 1489 CA LYS C 56 -3.181 9.371 5.004 1.00 0.00 C ATOM 1490 C LYS C 56 -2.920 8.217 4.046 1.00 0.00 C ATOM 1491 O LYS C 56 -3.694 7.266 3.960 1.00 0.00 O ATOM 1492 CB LYS C 56 -4.172 10.328 4.340 1.00 0.00 C ATOM 1493 CG LYS C 56 -4.521 11.555 5.162 1.00 0.00 C ATOM 1494 CD LYS C 56 -5.332 12.540 4.335 1.00 0.00 C ATOM 1495 CE LYS C 56 -5.681 13.787 5.124 1.00 0.00 C ATOM 1496 NZ LYS C 56 -6.366 14.800 4.279 1.00 0.00 N ATOM 0 H LYS C 56 -1.553 10.607 4.526 1.00 0.00 H new ATOM 0 HA LYS C 56 -3.596 8.999 5.941 1.00 0.00 H new ATOM 0 HB2 LYS C 56 -3.757 10.653 3.386 1.00 0.00 H new ATOM 0 HB3 LYS C 56 -5.090 9.783 4.120 1.00 0.00 H new ATOM 0 HG2 LYS C 56 -5.088 11.259 6.044 1.00 0.00 H new ATOM 0 HG3 LYS C 56 -3.608 12.034 5.516 1.00 0.00 H new ATOM 0 HD2 LYS C 56 -4.767 12.819 3.446 1.00 0.00 H new ATOM 0 HD3 LYS C 56 -6.248 12.059 3.992 1.00 0.00 H new ATOM 0 HE2 LYS C 56 -6.323 13.519 5.963 1.00 0.00 H new ATOM 0 HE3 LYS C 56 -4.772 14.218 5.544 1.00 0.00 H new ATOM 0 HZ1 LYS C 56 -6.589 15.638 4.853 1.00 0.00 H new ATOM 0 HZ2 LYS C 56 -5.743 15.075 3.493 1.00 0.00 H new ATOM 0 HZ3 LYS C 56 -7.246 14.397 3.899 1.00 0.00 H new ATOM 1510 N GLN C 57 -1.815 8.337 3.335 1.00 0.00 N ATOM 1511 CA GLN C 57 -1.488 7.469 2.220 1.00 0.00 C ATOM 1512 C GLN C 57 -1.267 6.030 2.659 1.00 0.00 C ATOM 1513 O GLN C 57 -0.406 5.748 3.499 1.00 0.00 O ATOM 1514 CB GLN C 57 -0.223 7.987 1.552 1.00 0.00 C ATOM 1515 CG GLN C 57 0.011 7.459 0.157 1.00 0.00 C ATOM 1516 CD GLN C 57 1.388 7.817 -0.343 1.00 0.00 C ATOM 1517 OE1 GLN C 57 2.318 7.034 -0.213 1.00 0.00 O ATOM 1518 NE2 GLN C 57 1.539 9.022 -0.863 1.00 0.00 N ATOM 0 H GLN C 57 -1.109 9.050 3.518 1.00 0.00 H new ATOM 0 HA GLN C 57 -2.330 7.477 1.527 1.00 0.00 H new ATOM 0 HB2 GLN C 57 -0.268 9.075 1.512 1.00 0.00 H new ATOM 0 HB3 GLN C 57 0.634 7.726 2.174 1.00 0.00 H new ATOM 0 HG2 GLN C 57 -0.110 6.376 0.151 1.00 0.00 H new ATOM 0 HG3 GLN C 57 -0.741 7.867 -0.519 1.00 0.00 H new ATOM 0 HE21 GLN C 57 0.735 9.643 -0.953 1.00 0.00 H new ATOM 0 HE22 GLN C 57 2.460 9.331 -1.175 1.00 0.00 H new ATOM 1527 N ARG C 58 -2.033 5.126 2.080 1.00 0.00 N ATOM 1528 CA ARG C 58 -1.855 3.709 2.325 1.00 0.00 C ATOM 1529 C ARG C 58 -1.722 2.965 1.003 1.00 0.00 C ATOM 1530 O ARG C 58 -2.645 2.963 0.187 1.00 0.00 O ATOM 1531 CB ARG C 58 -3.022 3.152 3.142 1.00 0.00 C ATOM 1532 CG ARG C 58 -3.095 3.718 4.552 1.00 0.00 C ATOM 1533 CD ARG C 58 -4.238 3.112 5.347 1.00 0.00 C ATOM 1534 NE ARG C 58 -4.241 3.578 6.732 1.00 0.00 N ATOM 1535 CZ ARG C 58 -4.894 2.975 7.727 1.00 0.00 C ATOM 1536 NH1 ARG C 58 -5.591 1.870 7.505 1.00 0.00 N ATOM 1537 NH2 ARG C 58 -4.836 3.476 8.953 1.00 0.00 N ATOM 0 H ARG C 58 -2.789 5.350 1.433 1.00 0.00 H new ATOM 0 HA ARG C 58 -0.941 3.566 2.901 1.00 0.00 H new ATOM 0 HB2 ARG C 58 -3.956 3.368 2.623 1.00 0.00 H new ATOM 0 HB3 ARG C 58 -2.932 2.067 3.198 1.00 0.00 H new ATOM 0 HG2 ARG C 58 -2.154 3.529 5.068 1.00 0.00 H new ATOM 0 HG3 ARG C 58 -3.220 4.800 4.503 1.00 0.00 H new ATOM 0 HD2 ARG C 58 -5.186 3.369 4.875 1.00 0.00 H new ATOM 0 HD3 ARG C 58 -4.157 2.025 5.329 1.00 0.00 H new ATOM 0 HE ARG C 58 -3.709 4.420 6.953 1.00 0.00 H new ATOM 0 HH11 ARG C 58 -5.632 1.473 6.566 1.00 0.00 H new ATOM 0 HH12 ARG C 58 -6.087 1.417 8.273 1.00 0.00 H new ATOM 0 HH21 ARG C 58 -4.293 4.320 9.134 1.00 0.00 H new ATOM 0 HH22 ARG C 58 -5.334 3.017 9.716 1.00 0.00 H new ATOM 1551 N LEU C 59 -0.555 2.376 0.781 1.00 0.00 N ATOM 1552 CA LEU C 59 -0.311 1.582 -0.396 1.00 0.00 C ATOM 1553 C LEU C 59 -0.772 0.160 -0.152 1.00 0.00 C ATOM 1554 O LEU C 59 -0.145 -0.588 0.571 1.00 0.00 O ATOM 1555 CB LEU C 59 1.170 1.591 -0.709 1.00 0.00 C ATOM 1556 CG LEU C 59 1.764 2.935 -1.096 1.00 0.00 C ATOM 1557 CD1 LEU C 59 2.280 3.642 0.134 1.00 0.00 C ATOM 1558 CD2 LEU C 59 2.872 2.751 -2.120 1.00 0.00 C ATOM 0 H LEU C 59 0.242 2.440 1.415 1.00 0.00 H new ATOM 0 HA LEU C 59 -0.862 1.999 -1.239 1.00 0.00 H new ATOM 0 HB2 LEU C 59 1.707 1.217 0.163 1.00 0.00 H new ATOM 0 HB3 LEU C 59 1.353 0.888 -1.522 1.00 0.00 H new ATOM 0 HG LEU C 59 0.986 3.550 -1.549 1.00 0.00 H new ATOM 0 HD11 LEU C 59 2.704 4.605 -0.151 1.00 0.00 H new ATOM 0 HD12 LEU C 59 1.460 3.800 0.834 1.00 0.00 H new ATOM 0 HD13 LEU C 59 3.049 3.032 0.608 1.00 0.00 H new ATOM 0 HD21 LEU C 59 3.287 3.723 -2.386 1.00 0.00 H new ATOM 0 HD22 LEU C 59 3.658 2.125 -1.697 1.00 0.00 H new ATOM 0 HD23 LEU C 59 2.467 2.273 -3.012 1.00 0.00 H new ATOM 1570 N ILE C 60 -1.874 -0.205 -0.733 1.00 0.00 N ATOM 1571 CA ILE C 60 -2.422 -1.528 -0.510 1.00 0.00 C ATOM 1572 C ILE C 60 -2.086 -2.475 -1.644 1.00 0.00 C ATOM 1573 O ILE C 60 -2.583 -2.334 -2.765 1.00 0.00 O ATOM 1574 CB ILE C 60 -3.940 -1.490 -0.358 1.00 0.00 C ATOM 1575 CG1 ILE C 60 -4.356 -0.338 0.542 1.00 0.00 C ATOM 1576 CG2 ILE C 60 -4.424 -2.807 0.215 1.00 0.00 C ATOM 1577 CD1 ILE C 60 -5.831 -0.056 0.483 1.00 0.00 C ATOM 0 H ILE C 60 -2.417 0.384 -1.364 1.00 0.00 H new ATOM 0 HA ILE C 60 -1.968 -1.888 0.413 1.00 0.00 H new ATOM 0 HB ILE C 60 -4.392 -1.337 -1.338 1.00 0.00 H new ATOM 0 HG12 ILE C 60 -4.075 -0.567 1.570 1.00 0.00 H new ATOM 0 HG13 ILE C 60 -3.807 0.559 0.254 1.00 0.00 H new ATOM 0 HG21 ILE C 60 -5.508 -2.780 0.324 1.00 0.00 H new ATOM 0 HG22 ILE C 60 -4.147 -3.620 -0.456 1.00 0.00 H new ATOM 0 HG23 ILE C 60 -3.966 -2.970 1.190 1.00 0.00 H new ATOM 0 HD11 ILE C 60 -6.069 0.776 1.146 1.00 0.00 H new ATOM 0 HD12 ILE C 60 -6.112 0.202 -0.538 1.00 0.00 H new ATOM 0 HD13 ILE C 60 -6.384 -0.941 0.799 1.00 0.00 H new ATOM 1589 N TYR C 61 -1.241 -3.440 -1.352 1.00 0.00 N ATOM 1590 CA TYR C 61 -0.945 -4.493 -2.294 1.00 0.00 C ATOM 1591 C TYR C 61 -1.277 -5.840 -1.663 1.00 0.00 C ATOM 1592 O TYR C 61 -0.743 -6.176 -0.607 1.00 0.00 O ATOM 1593 CB TYR C 61 0.515 -4.451 -2.735 1.00 0.00 C ATOM 1594 CG TYR C 61 0.801 -5.467 -3.806 1.00 0.00 C ATOM 1595 CD1 TYR C 61 0.155 -5.388 -5.026 1.00 0.00 C ATOM 1596 CD2 TYR C 61 1.689 -6.512 -3.594 1.00 0.00 C ATOM 1597 CE1 TYR C 61 0.382 -6.319 -6.011 1.00 0.00 C ATOM 1598 CE2 TYR C 61 1.927 -7.448 -4.579 1.00 0.00 C ATOM 1599 CZ TYR C 61 1.269 -7.350 -5.785 1.00 0.00 C ATOM 1600 OH TYR C 61 1.496 -8.287 -6.765 1.00 0.00 O ATOM 0 H TYR C 61 -0.745 -3.515 -0.464 1.00 0.00 H new ATOM 0 HA TYR C 61 -1.557 -4.348 -3.184 1.00 0.00 H new ATOM 0 HB2 TYR C 61 0.755 -3.454 -3.105 1.00 0.00 H new ATOM 0 HB3 TYR C 61 1.160 -4.636 -1.876 1.00 0.00 H new ATOM 0 HD1 TYR C 61 -0.540 -4.581 -5.208 1.00 0.00 H new ATOM 0 HD2 TYR C 61 2.200 -6.594 -2.646 1.00 0.00 H new ATOM 0 HE1 TYR C 61 -0.132 -6.243 -6.958 1.00 0.00 H new ATOM 0 HE2 TYR C 61 2.625 -8.253 -4.405 1.00 0.00 H new ATOM 0 HH TYR C 61 2.149 -8.944 -6.445 1.00 0.00 H new ATOM 1610 N GLN C 62 -2.179 -6.592 -2.298 1.00 0.00 N ATOM 1611 CA GLN C 62 -2.633 -7.884 -1.768 1.00 0.00 C ATOM 1612 C GLN C 62 -3.285 -7.708 -0.398 1.00 0.00 C ATOM 1613 O GLN C 62 -3.076 -8.511 0.511 1.00 0.00 O ATOM 1614 CB GLN C 62 -1.478 -8.883 -1.656 1.00 0.00 C ATOM 1615 CG GLN C 62 -0.770 -9.165 -2.968 1.00 0.00 C ATOM 1616 CD GLN C 62 0.218 -10.301 -2.858 1.00 0.00 C ATOM 1617 OE1 GLN C 62 0.716 -10.538 -1.661 1.00 0.00 O flip ATOM 1618 NE2 GLN C 62 0.504 -10.984 -3.842 1.00 0.00 N flip ATOM 0 H GLN C 62 -2.612 -6.329 -3.183 1.00 0.00 H new ATOM 0 HA GLN C 62 -3.367 -8.279 -2.470 1.00 0.00 H new ATOM 0 HB2 GLN C 62 -0.751 -8.502 -0.938 1.00 0.00 H new ATOM 0 HB3 GLN C 62 -1.861 -9.821 -1.254 1.00 0.00 H new ATOM 0 HG2 GLN C 62 -1.509 -9.403 -3.732 1.00 0.00 H new ATOM 0 HG3 GLN C 62 -0.250 -8.266 -3.297 1.00 0.00 H new ATOM 0 HE21 GLN C 62 0.095 -10.766 -4.751 1.00 0.00 H new ATOM 0 HE22 GLN C 62 1.149 -11.768 -3.748 1.00 0.00 H new ATOM 1627 N GLY C 63 -4.050 -6.635 -0.245 1.00 0.00 N ATOM 1628 CA GLY C 63 -4.761 -6.398 1.000 1.00 0.00 C ATOM 1629 C GLY C 63 -3.835 -6.002 2.137 1.00 0.00 C ATOM 1630 O GLY C 63 -4.287 -5.747 3.254 1.00 0.00 O ATOM 0 H GLY C 63 -4.192 -5.923 -0.961 1.00 0.00 H new ATOM 0 HA2 GLY C 63 -5.500 -5.611 0.848 1.00 0.00 H new ATOM 0 HA3 GLY C 63 -5.308 -7.299 1.279 1.00 0.00 H new ATOM 1634 N ARG C 64 -2.538 -5.959 1.849 1.00 0.00 N ATOM 1635 CA ARG C 64 -1.541 -5.575 2.835 1.00 0.00 C ATOM 1636 C ARG C 64 -1.362 -4.069 2.790 1.00 0.00 C ATOM 1637 O ARG C 64 -1.360 -3.477 1.711 1.00 0.00 O ATOM 1638 CB ARG C 64 -0.193 -6.252 2.553 1.00 0.00 C ATOM 1639 CG ARG C 64 -0.245 -7.768 2.393 1.00 0.00 C ATOM 1640 CD ARG C 64 -0.715 -8.466 3.658 1.00 0.00 C ATOM 1641 NE ARG C 64 -2.172 -8.596 3.715 1.00 0.00 N ATOM 1642 CZ ARG C 64 -2.854 -8.787 4.845 1.00 0.00 C ATOM 1643 NH1 ARG C 64 -2.217 -8.819 6.008 1.00 0.00 N ATOM 1644 NH2 ARG C 64 -4.172 -8.945 4.818 1.00 0.00 N ATOM 0 H ARG C 64 -2.153 -6.188 0.932 1.00 0.00 H new ATOM 0 HA ARG C 64 -1.884 -5.892 3.820 1.00 0.00 H new ATOM 0 HB2 ARG C 64 0.228 -5.822 1.644 1.00 0.00 H new ATOM 0 HB3 ARG C 64 0.492 -6.012 3.366 1.00 0.00 H new ATOM 0 HG2 ARG C 64 -0.914 -8.022 1.571 1.00 0.00 H new ATOM 0 HG3 ARG C 64 0.745 -8.137 2.124 1.00 0.00 H new ATOM 0 HD2 ARG C 64 -0.262 -9.456 3.713 1.00 0.00 H new ATOM 0 HD3 ARG C 64 -0.368 -7.908 4.528 1.00 0.00 H new ATOM 0 HE ARG C 64 -2.695 -8.537 2.841 1.00 0.00 H new ATOM 0 HH11 ARG C 64 -1.205 -8.697 6.039 1.00 0.00 H new ATOM 0 HH12 ARG C 64 -2.739 -8.965 6.872 1.00 0.00 H new ATOM 0 HH21 ARG C 64 -4.670 -8.921 3.928 1.00 0.00 H new ATOM 0 HH22 ARG C 64 -4.686 -9.091 5.687 1.00 0.00 H new ATOM 1658 N VAL C 65 -1.209 -3.447 3.946 1.00 0.00 N ATOM 1659 CA VAL C 65 -1.093 -2.001 3.993 1.00 0.00 C ATOM 1660 C VAL C 65 0.378 -1.579 4.017 1.00 0.00 C ATOM 1661 O VAL C 65 0.978 -1.409 5.080 1.00 0.00 O ATOM 1662 CB VAL C 65 -1.815 -1.409 5.224 1.00 0.00 C ATOM 1663 CG1 VAL C 65 -2.307 -0.003 4.923 1.00 0.00 C ATOM 1664 CG2 VAL C 65 -2.969 -2.299 5.671 1.00 0.00 C ATOM 0 H VAL C 65 -1.163 -3.913 4.852 1.00 0.00 H new ATOM 0 HA VAL C 65 -1.570 -1.612 3.094 1.00 0.00 H new ATOM 0 HB VAL C 65 -1.098 -1.360 6.044 1.00 0.00 H new ATOM 0 HG11 VAL C 65 -2.814 0.401 5.800 1.00 0.00 H new ATOM 0 HG12 VAL C 65 -1.459 0.633 4.669 1.00 0.00 H new ATOM 0 HG13 VAL C 65 -3.002 -0.033 4.084 1.00 0.00 H new ATOM 0 HG21 VAL C 65 -3.456 -1.855 6.539 1.00 0.00 H new ATOM 0 HG22 VAL C 65 -3.690 -2.395 4.859 1.00 0.00 H new ATOM 0 HG23 VAL C 65 -2.587 -3.285 5.935 1.00 0.00 H new ATOM 1674 N LEU C 66 0.941 -1.428 2.827 1.00 0.00 N ATOM 1675 CA LEU C 66 2.268 -0.898 2.625 1.00 0.00 C ATOM 1676 C LEU C 66 2.314 0.560 3.064 1.00 0.00 C ATOM 1677 O LEU C 66 1.550 1.391 2.568 1.00 0.00 O ATOM 1678 CB LEU C 66 2.613 -0.997 1.138 1.00 0.00 C ATOM 1679 CG LEU C 66 2.798 -2.403 0.558 1.00 0.00 C ATOM 1680 CD1 LEU C 66 1.532 -3.254 0.573 1.00 0.00 C ATOM 1681 CD2 LEU C 66 3.328 -2.292 -0.858 1.00 0.00 C ATOM 0 H LEU C 66 0.470 -1.679 1.958 1.00 0.00 H new ATOM 0 HA LEU C 66 2.987 -1.467 3.214 1.00 0.00 H new ATOM 0 HB2 LEU C 66 1.825 -0.499 0.574 1.00 0.00 H new ATOM 0 HB3 LEU C 66 3.531 -0.436 0.965 1.00 0.00 H new ATOM 0 HG LEU C 66 3.510 -2.916 1.204 1.00 0.00 H new ATOM 0 HD11 LEU C 66 1.747 -4.234 0.146 1.00 0.00 H new ATOM 0 HD12 LEU C 66 1.186 -3.374 1.600 1.00 0.00 H new ATOM 0 HD13 LEU C 66 0.757 -2.764 -0.016 1.00 0.00 H new ATOM 0 HD21 LEU C 66 3.462 -3.290 -1.276 1.00 0.00 H new ATOM 0 HD22 LEU C 66 2.618 -1.735 -1.469 1.00 0.00 H new ATOM 0 HD23 LEU C 66 4.286 -1.772 -0.848 1.00 0.00 H new ATOM 1693 N GLN C 67 3.197 0.878 3.993 1.00 0.00 N ATOM 1694 CA GLN C 67 3.252 2.220 4.543 1.00 0.00 C ATOM 1695 C GLN C 67 4.693 2.636 4.846 1.00 0.00 C ATOM 1696 O GLN C 67 5.631 1.936 4.490 1.00 0.00 O ATOM 1697 CB GLN C 67 2.414 2.261 5.817 1.00 0.00 C ATOM 1698 CG GLN C 67 2.742 1.112 6.749 1.00 0.00 C ATOM 1699 CD GLN C 67 1.838 1.037 7.952 1.00 0.00 C ATOM 1700 OE1 GLN C 67 1.356 2.051 8.458 1.00 0.00 O ATOM 1701 NE2 GLN C 67 1.593 -0.176 8.408 1.00 0.00 N ATOM 0 H GLN C 67 3.882 0.229 4.381 1.00 0.00 H new ATOM 0 HA GLN C 67 2.855 2.922 3.810 1.00 0.00 H new ATOM 0 HB2 GLN C 67 2.584 3.206 6.333 1.00 0.00 H new ATOM 0 HB3 GLN C 67 1.356 2.226 5.557 1.00 0.00 H new ATOM 0 HG2 GLN C 67 2.676 0.175 6.196 1.00 0.00 H new ATOM 0 HG3 GLN C 67 3.774 1.211 7.086 1.00 0.00 H new ATOM 0 HE21 GLN C 67 2.016 -0.986 7.955 1.00 0.00 H new ATOM 0 HE22 GLN C 67 0.981 -0.304 9.214 1.00 0.00 H new ATOM 1710 N ASP C 68 4.840 3.765 5.539 1.00 0.00 N ATOM 1711 CA ASP C 68 6.131 4.320 5.946 1.00 0.00 C ATOM 1712 C ASP C 68 6.854 3.439 6.975 1.00 0.00 C ATOM 1713 O ASP C 68 7.945 3.773 7.430 1.00 0.00 O ATOM 1714 CB ASP C 68 5.945 5.745 6.481 1.00 0.00 C ATOM 1715 CG ASP C 68 4.752 5.873 7.402 1.00 0.00 C ATOM 1716 OD1 ASP C 68 3.609 5.760 6.905 1.00 0.00 O ATOM 1717 OD2 ASP C 68 4.943 6.104 8.610 1.00 0.00 O ATOM 0 H ASP C 68 4.047 4.332 5.840 1.00 0.00 H new ATOM 0 HA ASP C 68 6.767 4.348 5.061 1.00 0.00 H new ATOM 0 HB2 ASP C 68 6.845 6.048 7.015 1.00 0.00 H new ATOM 0 HB3 ASP C 68 5.826 6.431 5.642 1.00 0.00 H new ATOM 1722 N ASP C 69 6.227 2.322 7.337 1.00 0.00 N ATOM 1723 CA ASP C 69 6.750 1.386 8.351 1.00 0.00 C ATOM 1724 C ASP C 69 8.087 0.755 7.940 1.00 0.00 C ATOM 1725 O ASP C 69 8.682 -0.010 8.703 1.00 0.00 O ATOM 1726 CB ASP C 69 5.728 0.282 8.590 1.00 0.00 C ATOM 1727 CG ASP C 69 5.996 -0.513 9.851 1.00 0.00 C ATOM 1728 OD1 ASP C 69 5.579 -0.061 10.944 1.00 0.00 O ATOM 1729 OD2 ASP C 69 6.617 -1.594 9.760 1.00 0.00 O ATOM 0 H ASP C 69 5.335 2.032 6.937 1.00 0.00 H new ATOM 0 HA ASP C 69 6.926 1.959 9.262 1.00 0.00 H new ATOM 0 HB2 ASP C 69 4.733 0.723 8.650 1.00 0.00 H new ATOM 0 HB3 ASP C 69 5.726 -0.394 7.735 1.00 0.00 H new ATOM 1734 N LYS C 70 8.539 1.091 6.738 1.00 0.00 N ATOM 1735 CA LYS C 70 9.853 0.692 6.209 1.00 0.00 C ATOM 1736 C LYS C 70 9.859 -0.722 5.632 1.00 0.00 C ATOM 1737 O LYS C 70 8.884 -1.467 5.756 1.00 0.00 O ATOM 1738 CB LYS C 70 10.937 0.832 7.281 1.00 0.00 C ATOM 1739 CG LYS C 70 10.937 2.194 7.947 1.00 0.00 C ATOM 1740 CD LYS C 70 11.993 2.290 9.042 1.00 0.00 C ATOM 1741 CE LYS C 70 11.458 1.824 10.395 1.00 0.00 C ATOM 1742 NZ LYS C 70 10.935 0.431 10.358 1.00 0.00 N ATOM 0 H LYS C 70 7.998 1.659 6.086 1.00 0.00 H new ATOM 0 HA LYS C 70 10.071 1.372 5.386 1.00 0.00 H new ATOM 0 HB2 LYS C 70 10.792 0.063 8.039 1.00 0.00 H new ATOM 0 HB3 LYS C 70 11.913 0.654 6.829 1.00 0.00 H new ATOM 0 HG2 LYS C 70 11.119 2.965 7.198 1.00 0.00 H new ATOM 0 HG3 LYS C 70 9.953 2.390 8.373 1.00 0.00 H new ATOM 0 HD2 LYS C 70 12.857 1.686 8.766 1.00 0.00 H new ATOM 0 HD3 LYS C 70 12.338 3.321 9.124 1.00 0.00 H new ATOM 0 HE2 LYS C 70 12.253 1.889 11.137 1.00 0.00 H new ATOM 0 HE3 LYS C 70 10.664 2.497 10.718 1.00 0.00 H new ATOM 0 HZ1 LYS C 70 10.695 0.124 11.322 1.00 0.00 H new ATOM 0 HZ2 LYS C 70 10.084 0.396 9.762 1.00 0.00 H new ATOM 0 HZ3 LYS C 70 11.660 -0.202 9.964 1.00 0.00 H new ATOM 1756 N LYS C 71 10.989 -1.058 4.992 1.00 0.00 N ATOM 1757 CA LYS C 71 11.221 -2.360 4.359 1.00 0.00 C ATOM 1758 C LYS C 71 10.378 -2.539 3.093 1.00 0.00 C ATOM 1759 O LYS C 71 9.297 -3.120 3.128 1.00 0.00 O ATOM 1760 CB LYS C 71 10.971 -3.516 5.334 1.00 0.00 C ATOM 1761 CG LYS C 71 11.895 -3.520 6.544 1.00 0.00 C ATOM 1762 CD LYS C 71 11.912 -4.880 7.228 1.00 0.00 C ATOM 1763 CE LYS C 71 10.539 -5.282 7.744 1.00 0.00 C ATOM 1764 NZ LYS C 71 10.501 -6.710 8.160 1.00 0.00 N ATOM 0 H LYS C 71 11.779 -0.420 4.900 1.00 0.00 H new ATOM 0 HA LYS C 71 12.271 -2.380 4.068 1.00 0.00 H new ATOM 0 HB2 LYS C 71 9.938 -3.469 5.679 1.00 0.00 H new ATOM 0 HB3 LYS C 71 11.086 -4.459 4.800 1.00 0.00 H new ATOM 0 HG2 LYS C 71 12.905 -3.256 6.232 1.00 0.00 H new ATOM 0 HG3 LYS C 71 11.571 -2.759 7.253 1.00 0.00 H new ATOM 0 HD2 LYS C 71 12.269 -5.633 6.526 1.00 0.00 H new ATOM 0 HD3 LYS C 71 12.618 -4.858 8.058 1.00 0.00 H new ATOM 0 HE2 LYS C 71 10.269 -4.650 8.590 1.00 0.00 H new ATOM 0 HE3 LYS C 71 9.794 -5.110 6.967 1.00 0.00 H new ATOM 0 HZ1 LYS C 71 9.659 -6.879 8.746 1.00 0.00 H new ATOM 0 HZ2 LYS C 71 10.462 -7.317 7.316 1.00 0.00 H new ATOM 0 HZ3 LYS C 71 11.355 -6.935 8.709 1.00 0.00 H new ATOM 1778 N LEU C 72 10.911 -2.067 1.966 1.00 0.00 N ATOM 1779 CA LEU C 72 10.197 -2.105 0.686 1.00 0.00 C ATOM 1780 C LEU C 72 10.092 -3.523 0.119 1.00 0.00 C ATOM 1781 O LEU C 72 9.011 -3.961 -0.273 1.00 0.00 O ATOM 1782 CB LEU C 72 10.895 -1.203 -0.341 1.00 0.00 C ATOM 1783 CG LEU C 72 10.667 0.310 -0.176 1.00 0.00 C ATOM 1784 CD1 LEU C 72 11.668 1.113 -0.989 1.00 0.00 C ATOM 1785 CD2 LEU C 72 9.255 0.681 -0.602 1.00 0.00 C ATOM 0 H LEU C 72 11.841 -1.651 1.912 1.00 0.00 H new ATOM 0 HA LEU C 72 9.187 -1.743 0.879 1.00 0.00 H new ATOM 0 HB2 LEU C 72 11.967 -1.396 -0.295 1.00 0.00 H new ATOM 0 HB3 LEU C 72 10.561 -1.494 -1.337 1.00 0.00 H new ATOM 0 HG LEU C 72 10.806 0.551 0.878 1.00 0.00 H new ATOM 0 HD11 LEU C 72 11.479 2.177 -0.850 1.00 0.00 H new ATOM 0 HD12 LEU C 72 12.679 0.877 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU C 72 11.565 0.861 -2.044 1.00 0.00 H new ATOM 0 HD21 LEU C 72 9.108 1.754 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU C 72 9.108 0.411 -1.648 1.00 0.00 H new ATOM 0 HD23 LEU C 72 8.536 0.144 0.016 1.00 0.00 H new ATOM 1797 N GLN C 73 11.213 -4.242 0.062 1.00 0.00 N ATOM 1798 CA GLN C 73 11.260 -5.545 -0.556 1.00 0.00 C ATOM 1799 C GLN C 73 10.467 -6.579 0.226 1.00 0.00 C ATOM 1800 O GLN C 73 10.137 -7.640 -0.296 1.00 0.00 O ATOM 1801 CB GLN C 73 12.706 -5.962 -0.666 1.00 0.00 C ATOM 1802 CG GLN C 73 13.402 -6.168 0.670 1.00 0.00 C ATOM 1803 CD GLN C 73 14.876 -6.474 0.510 1.00 0.00 C ATOM 1804 OE1 GLN C 73 15.293 -7.080 -0.476 1.00 0.00 O ATOM 1805 NE2 GLN C 73 15.674 -6.034 1.464 1.00 0.00 N ATOM 0 H GLN C 73 12.105 -3.929 0.445 1.00 0.00 H new ATOM 0 HA GLN C 73 10.802 -5.484 -1.543 1.00 0.00 H new ATOM 0 HB2 GLN C 73 12.762 -6.888 -1.238 1.00 0.00 H new ATOM 0 HB3 GLN C 73 13.248 -5.204 -1.232 1.00 0.00 H new ATOM 0 HG2 GLN C 73 13.283 -5.273 1.281 1.00 0.00 H new ATOM 0 HG3 GLN C 73 12.920 -6.986 1.206 1.00 0.00 H new ATOM 0 HE21 GLN C 73 15.285 -5.536 2.265 1.00 0.00 H new ATOM 0 HE22 GLN C 73 16.680 -6.192 1.401 1.00 0.00 H new ATOM 1814 N GLU C 74 10.164 -6.266 1.475 1.00 0.00 N ATOM 1815 CA GLU C 74 9.298 -7.113 2.275 1.00 0.00 C ATOM 1816 C GLU C 74 7.911 -7.157 1.657 1.00 0.00 C ATOM 1817 O GLU C 74 7.194 -8.153 1.779 1.00 0.00 O ATOM 1818 CB GLU C 74 9.228 -6.595 3.706 1.00 0.00 C ATOM 1819 CG GLU C 74 10.536 -6.742 4.458 1.00 0.00 C ATOM 1820 CD GLU C 74 10.825 -8.170 4.861 1.00 0.00 C ATOM 1821 OE1 GLU C 74 11.163 -8.993 3.982 1.00 0.00 O ATOM 1822 OE2 GLU C 74 10.719 -8.473 6.067 1.00 0.00 O ATOM 0 H GLU C 74 10.505 -5.433 1.955 1.00 0.00 H new ATOM 0 HA GLU C 74 9.707 -8.123 2.296 1.00 0.00 H new ATOM 0 HB2 GLU C 74 8.941 -5.544 3.692 1.00 0.00 H new ATOM 0 HB3 GLU C 74 8.446 -7.132 4.242 1.00 0.00 H new ATOM 0 HG2 GLU C 74 11.351 -6.374 3.835 1.00 0.00 H new ATOM 0 HG3 GLU C 74 10.509 -6.116 5.350 1.00 0.00 H new ATOM 1829 N TYR C 75 7.552 -6.075 0.971 1.00 0.00 N ATOM 1830 CA TYR C 75 6.269 -5.998 0.305 1.00 0.00 C ATOM 1831 C TYR C 75 6.378 -6.643 -1.073 1.00 0.00 C ATOM 1832 O TYR C 75 5.386 -7.088 -1.652 1.00 0.00 O ATOM 1833 CB TYR C 75 5.816 -4.544 0.168 1.00 0.00 C ATOM 1834 CG TYR C 75 5.742 -3.774 1.473 1.00 0.00 C ATOM 1835 CD1 TYR C 75 4.917 -4.193 2.509 1.00 0.00 C ATOM 1836 CD2 TYR C 75 6.484 -2.614 1.656 1.00 0.00 C ATOM 1837 CE1 TYR C 75 4.834 -3.477 3.692 1.00 0.00 C ATOM 1838 CE2 TYR C 75 6.403 -1.889 2.834 1.00 0.00 C ATOM 1839 CZ TYR C 75 5.576 -2.326 3.849 1.00 0.00 C ATOM 1840 OH TYR C 75 5.485 -1.605 5.020 1.00 0.00 O ATOM 0 H TYR C 75 8.135 -5.245 0.866 1.00 0.00 H new ATOM 0 HA TYR C 75 5.528 -6.530 0.902 1.00 0.00 H new ATOM 0 HB2 TYR C 75 6.501 -4.027 -0.504 1.00 0.00 H new ATOM 0 HB3 TYR C 75 4.833 -4.527 -0.303 1.00 0.00 H new ATOM 0 HD1 TYR C 75 4.330 -5.092 2.390 1.00 0.00 H new ATOM 0 HD2 TYR C 75 7.136 -2.271 0.866 1.00 0.00 H new ATOM 0 HE1 TYR C 75 4.190 -3.819 4.489 1.00 0.00 H new ATOM 0 HE2 TYR C 75 6.984 -0.987 2.957 1.00 0.00 H new ATOM 0 HH TYR C 75 6.073 -0.822 4.969 1.00 0.00 H new ATOM 1850 N ASN C 76 7.621 -6.681 -1.572 1.00 0.00 N ATOM 1851 CA ASN C 76 7.971 -7.385 -2.810 1.00 0.00 C ATOM 1852 C ASN C 76 7.190 -6.832 -4.007 1.00 0.00 C ATOM 1853 O ASN C 76 6.924 -7.537 -4.985 1.00 0.00 O ATOM 1854 CB ASN C 76 7.721 -8.890 -2.635 1.00 0.00 C ATOM 1855 CG ASN C 76 8.261 -9.727 -3.780 1.00 0.00 C ATOM 1856 OD1 ASN C 76 9.247 -9.364 -4.421 1.00 0.00 O ATOM 1857 ND2 ASN C 76 7.624 -10.857 -4.042 1.00 0.00 N ATOM 0 H ASN C 76 8.415 -6.222 -1.125 1.00 0.00 H new ATOM 0 HA ASN C 76 9.029 -7.223 -3.016 1.00 0.00 H new ATOM 0 HB2 ASN C 76 8.181 -9.221 -1.704 1.00 0.00 H new ATOM 0 HB3 ASN C 76 6.649 -9.064 -2.541 1.00 0.00 H new ATOM 0 HD21 ASN C 76 7.947 -11.461 -4.798 1.00 0.00 H new ATOM 0 HD22 ASN C 76 6.810 -11.124 -3.488 1.00 0.00 H new ATOM 1864 N VAL C 77 6.860 -5.550 -3.941 1.00 0.00 N ATOM 1865 CA VAL C 77 6.028 -4.917 -4.967 1.00 0.00 C ATOM 1866 C VAL C 77 6.839 -4.431 -6.165 1.00 0.00 C ATOM 1867 O VAL C 77 6.430 -3.512 -6.876 1.00 0.00 O ATOM 1868 CB VAL C 77 5.220 -3.740 -4.396 1.00 0.00 C ATOM 1869 CG1 VAL C 77 4.168 -4.248 -3.433 1.00 0.00 C ATOM 1870 CG2 VAL C 77 6.135 -2.735 -3.712 1.00 0.00 C ATOM 0 H VAL C 77 7.153 -4.924 -3.191 1.00 0.00 H new ATOM 0 HA VAL C 77 5.344 -5.694 -5.309 1.00 0.00 H new ATOM 0 HB VAL C 77 4.721 -3.231 -5.221 1.00 0.00 H new ATOM 0 HG11 VAL C 77 3.602 -3.406 -3.035 1.00 0.00 H new ATOM 0 HG12 VAL C 77 3.492 -4.925 -3.956 1.00 0.00 H new ATOM 0 HG13 VAL C 77 4.651 -4.780 -2.614 1.00 0.00 H new ATOM 0 HG21 VAL C 77 5.540 -1.912 -3.316 1.00 0.00 H new ATOM 0 HG22 VAL C 77 6.667 -3.224 -2.896 1.00 0.00 H new ATOM 0 HG23 VAL C 77 6.855 -2.348 -4.434 1.00 0.00 H new ATOM 1880 N GLY C 78 7.981 -5.054 -6.395 1.00 0.00 N ATOM 1881 CA GLY C 78 8.787 -4.718 -7.529 1.00 0.00 C ATOM 1882 C GLY C 78 8.232 -5.281 -8.793 1.00 0.00 C ATOM 1883 O GLY C 78 8.364 -6.464 -9.105 1.00 0.00 O ATOM 0 H GLY C 78 8.361 -5.794 -5.805 1.00 0.00 H new ATOM 0 HA2 GLY C 78 8.858 -3.634 -7.615 1.00 0.00 H new ATOM 0 HA3 GLY C 78 9.799 -5.093 -7.379 1.00 0.00 H new ATOM 1887 N GLY C 79 7.585 -4.406 -9.475 1.00 0.00 N ATOM 1888 CA GLY C 79 7.039 -4.695 -10.790 1.00 0.00 C ATOM 1889 C GLY C 79 5.546 -4.987 -10.797 1.00 0.00 C ATOM 1890 O GLY C 79 5.011 -5.479 -11.791 1.00 0.00 O ATOM 0 H GLY C 79 7.408 -3.455 -9.150 1.00 0.00 H new ATOM 0 HA2 GLY C 79 7.235 -3.847 -11.446 1.00 0.00 H new ATOM 0 HA3 GLY C 79 7.567 -5.551 -11.210 1.00 0.00 H new ATOM 1894 N LYS C 80 4.868 -4.690 -9.701 1.00 0.00 N ATOM 1895 CA LYS C 80 3.420 -4.930 -9.604 1.00 0.00 C ATOM 1896 C LYS C 80 2.701 -3.646 -9.194 1.00 0.00 C ATOM 1897 O LYS C 80 3.242 -2.875 -8.403 1.00 0.00 O ATOM 1898 CB LYS C 80 3.109 -6.027 -8.572 1.00 0.00 C ATOM 1899 CG LYS C 80 3.870 -7.336 -8.765 1.00 0.00 C ATOM 1900 CD LYS C 80 5.243 -7.290 -8.110 1.00 0.00 C ATOM 1901 CE LYS C 80 5.971 -8.618 -8.238 1.00 0.00 C ATOM 1902 NZ LYS C 80 7.329 -8.572 -7.631 1.00 0.00 N ATOM 0 H LYS C 80 5.286 -4.284 -8.864 1.00 0.00 H new ATOM 0 HA LYS C 80 3.071 -5.256 -10.584 1.00 0.00 H new ATOM 0 HB2 LYS C 80 3.330 -5.640 -7.577 1.00 0.00 H new ATOM 0 HB3 LYS C 80 2.040 -6.239 -8.602 1.00 0.00 H new ATOM 0 HG2 LYS C 80 3.293 -8.158 -8.343 1.00 0.00 H new ATOM 0 HG3 LYS C 80 3.981 -7.539 -9.830 1.00 0.00 H new ATOM 0 HD2 LYS C 80 5.839 -6.502 -8.570 1.00 0.00 H new ATOM 0 HD3 LYS C 80 5.135 -7.034 -7.056 1.00 0.00 H new ATOM 0 HE2 LYS C 80 5.385 -9.400 -7.756 1.00 0.00 H new ATOM 0 HE3 LYS C 80 6.054 -8.886 -9.291 1.00 0.00 H new ATOM 0 HZ1 LYS C 80 7.729 -9.531 -7.603 1.00 0.00 H new ATOM 0 HZ2 LYS C 80 7.944 -7.957 -8.201 1.00 0.00 H new ATOM 0 HZ3 LYS C 80 7.264 -8.196 -6.664 1.00 0.00 H new ATOM 1916 N VAL C 81 1.488 -3.405 -9.719 1.00 0.00 N ATOM 1917 CA VAL C 81 0.762 -2.187 -9.358 1.00 0.00 C ATOM 1918 C VAL C 81 0.070 -2.328 -8.007 1.00 0.00 C ATOM 1919 O VAL C 81 -0.686 -3.273 -7.758 1.00 0.00 O ATOM 1920 CB VAL C 81 -0.269 -1.689 -10.399 1.00 0.00 C ATOM 1921 CG1 VAL C 81 0.350 -1.306 -11.724 1.00 0.00 C ATOM 1922 CG2 VAL C 81 -1.341 -2.685 -10.630 1.00 0.00 C ATOM 0 H VAL C 81 1.005 -4.020 -10.375 1.00 0.00 H new ATOM 0 HA VAL C 81 1.545 -1.430 -9.316 1.00 0.00 H new ATOM 0 HB VAL C 81 -0.697 -0.787 -9.961 1.00 0.00 H new ATOM 0 HG11 VAL C 81 -0.430 -0.966 -12.405 1.00 0.00 H new ATOM 0 HG12 VAL C 81 1.072 -0.504 -11.570 1.00 0.00 H new ATOM 0 HG13 VAL C 81 0.855 -2.171 -12.153 1.00 0.00 H new ATOM 0 HG21 VAL C 81 -2.045 -2.298 -11.367 1.00 0.00 H new ATOM 0 HG22 VAL C 81 -0.903 -3.612 -10.999 1.00 0.00 H new ATOM 0 HG23 VAL C 81 -1.866 -2.879 -9.694 1.00 0.00 H new ATOM 1932 N ILE C 82 0.373 -1.385 -7.134 1.00 0.00 N ATOM 1933 CA ILE C 82 -0.244 -1.296 -5.824 1.00 0.00 C ATOM 1934 C ILE C 82 -1.564 -0.533 -5.924 1.00 0.00 C ATOM 1935 O ILE C 82 -1.887 -0.009 -6.970 1.00 0.00 O ATOM 1936 CB ILE C 82 0.697 -0.583 -4.832 1.00 0.00 C ATOM 1937 CG1 ILE C 82 2.062 -1.190 -4.855 1.00 0.00 C ATOM 1938 CG2 ILE C 82 0.158 -0.618 -3.416 1.00 0.00 C ATOM 1939 CD1 ILE C 82 3.044 -0.452 -3.983 1.00 0.00 C ATOM 0 H ILE C 82 1.060 -0.653 -7.316 1.00 0.00 H new ATOM 0 HA ILE C 82 -0.436 -2.305 -5.460 1.00 0.00 H new ATOM 0 HB ILE C 82 0.758 0.457 -5.153 1.00 0.00 H new ATOM 0 HG12 ILE C 82 1.999 -2.227 -4.526 1.00 0.00 H new ATOM 0 HG13 ILE C 82 2.432 -1.203 -5.880 1.00 0.00 H new ATOM 0 HG21 ILE C 82 0.852 -0.105 -2.750 1.00 0.00 H new ATOM 0 HG22 ILE C 82 -0.812 -0.121 -3.383 1.00 0.00 H new ATOM 0 HG23 ILE C 82 0.046 -1.654 -3.095 1.00 0.00 H new ATOM 0 HD11 ILE C 82 4.018 -0.938 -4.040 1.00 0.00 H new ATOM 0 HD12 ILE C 82 3.133 0.579 -4.326 1.00 0.00 H new ATOM 0 HD13 ILE C 82 2.693 -0.462 -2.951 1.00 0.00 H new ATOM 1951 N HIS C 83 -2.345 -0.504 -4.864 1.00 0.00 N ATOM 1952 CA HIS C 83 -3.559 0.295 -4.843 1.00 0.00 C ATOM 1953 C HIS C 83 -3.474 1.348 -3.748 1.00 0.00 C ATOM 1954 O HIS C 83 -3.427 1.017 -2.569 1.00 0.00 O ATOM 1955 CB HIS C 83 -4.771 -0.611 -4.616 1.00 0.00 C ATOM 1956 CG HIS C 83 -5.018 -1.559 -5.750 1.00 0.00 C ATOM 1957 ND1 HIS C 83 -4.823 -2.921 -5.652 1.00 0.00 N ATOM 1958 CD2 HIS C 83 -5.438 -1.336 -7.020 1.00 0.00 C ATOM 1959 CE1 HIS C 83 -5.109 -3.490 -6.808 1.00 0.00 C ATOM 1960 NE2 HIS C 83 -5.485 -2.550 -7.653 1.00 0.00 N ATOM 0 H HIS C 83 -2.164 -1.023 -4.005 1.00 0.00 H new ATOM 0 HA HIS C 83 -3.670 0.800 -5.802 1.00 0.00 H new ATOM 0 HB2 HIS C 83 -4.624 -1.182 -3.699 1.00 0.00 H new ATOM 0 HB3 HIS C 83 -5.656 0.007 -4.468 1.00 0.00 H new ATOM 0 HD2 HIS C 83 -5.689 -0.379 -7.452 1.00 0.00 H new ATOM 0 HE1 HIS C 83 -5.046 -4.546 -7.025 1.00 0.00 H new ATOM 0 HE2 HIS C 83 -5.766 -2.702 -8.622 1.00 0.00 H new ATOM 1969 N LEU C 84 -3.434 2.613 -4.135 1.00 0.00 N ATOM 1970 CA LEU C 84 -3.389 3.698 -3.170 1.00 0.00 C ATOM 1971 C LEU C 84 -4.745 4.363 -3.046 1.00 0.00 C ATOM 1972 O LEU C 84 -5.445 4.571 -4.040 1.00 0.00 O ATOM 1973 CB LEU C 84 -2.329 4.727 -3.551 1.00 0.00 C ATOM 1974 CG LEU C 84 -0.892 4.301 -3.270 1.00 0.00 C ATOM 1975 CD1 LEU C 84 -0.445 3.206 -4.219 1.00 0.00 C ATOM 1976 CD2 LEU C 84 0.036 5.493 -3.358 1.00 0.00 C ATOM 0 H LEU C 84 -3.432 2.913 -5.110 1.00 0.00 H new ATOM 0 HA LEU C 84 -3.121 3.272 -2.203 1.00 0.00 H new ATOM 0 HB2 LEU C 84 -2.425 4.950 -4.613 1.00 0.00 H new ATOM 0 HB3 LEU C 84 -2.531 5.652 -3.011 1.00 0.00 H new ATOM 0 HG LEU C 84 -0.852 3.899 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU C 84 0.583 2.925 -3.992 1.00 0.00 H new ATOM 0 HD12 LEU C 84 -1.093 2.337 -4.103 1.00 0.00 H new ATOM 0 HD13 LEU C 84 -0.504 3.568 -5.246 1.00 0.00 H new ATOM 0 HD21 LEU C 84 1.058 5.174 -3.155 1.00 0.00 H new ATOM 0 HD22 LEU C 84 -0.018 5.923 -4.358 1.00 0.00 H new ATOM 0 HD23 LEU C 84 -0.263 6.242 -2.624 1.00 0.00 H new ATOM 1988 N VAL C 85 -5.108 4.690 -1.818 1.00 0.00 N ATOM 1989 CA VAL C 85 -6.416 5.242 -1.516 1.00 0.00 C ATOM 1990 C VAL C 85 -6.339 6.192 -0.330 1.00 0.00 C ATOM 1991 O VAL C 85 -5.330 6.240 0.374 1.00 0.00 O ATOM 1992 CB VAL C 85 -7.420 4.123 -1.171 1.00 0.00 C ATOM 1993 CG1 VAL C 85 -7.838 3.346 -2.412 1.00 0.00 C ATOM 1994 CG2 VAL C 85 -6.811 3.191 -0.137 1.00 0.00 C ATOM 0 H VAL C 85 -4.504 4.580 -1.003 1.00 0.00 H new ATOM 0 HA VAL C 85 -6.752 5.779 -2.403 1.00 0.00 H new ATOM 0 HB VAL C 85 -8.318 4.583 -0.757 1.00 0.00 H new ATOM 0 HG11 VAL C 85 -8.546 2.566 -2.132 1.00 0.00 H new ATOM 0 HG12 VAL C 85 -8.309 4.024 -3.124 1.00 0.00 H new ATOM 0 HG13 VAL C 85 -6.959 2.892 -2.870 1.00 0.00 H new ATOM 0 HG21 VAL C 85 -7.522 2.401 0.105 1.00 0.00 H new ATOM 0 HG22 VAL C 85 -5.900 2.748 -0.539 1.00 0.00 H new ATOM 0 HG23 VAL C 85 -6.573 3.754 0.765 1.00 0.00 H new ATOM 2004 N GLU C 86 -7.411 6.941 -0.124 1.00 0.00 N ATOM 2005 CA GLU C 86 -7.543 7.802 1.037 1.00 0.00 C ATOM 2006 C GLU C 86 -8.375 7.089 2.091 1.00 0.00 C ATOM 2007 O GLU C 86 -9.269 6.314 1.757 1.00 0.00 O ATOM 2008 CB GLU C 86 -8.198 9.114 0.644 1.00 0.00 C ATOM 2009 CG GLU C 86 -7.525 10.346 1.233 1.00 0.00 C ATOM 2010 CD GLU C 86 -7.802 10.530 2.712 1.00 0.00 C ATOM 2011 OE1 GLU C 86 -7.152 9.858 3.537 1.00 0.00 O ATOM 2012 OE2 GLU C 86 -8.667 11.364 3.053 1.00 0.00 O ATOM 0 H GLU C 86 -8.211 6.968 -0.756 1.00 0.00 H new ATOM 0 HA GLU C 86 -6.556 8.022 1.443 1.00 0.00 H new ATOM 0 HB2 GLU C 86 -8.197 9.197 -0.443 1.00 0.00 H new ATOM 0 HB3 GLU C 86 -9.241 9.096 0.961 1.00 0.00 H new ATOM 0 HG2 GLU C 86 -6.449 10.273 1.078 1.00 0.00 H new ATOM 0 HG3 GLU C 86 -7.865 11.230 0.694 1.00 0.00 H new ATOM 2019 N ARG C 87 -8.070 7.350 3.351 1.00 0.00 N ATOM 2020 CA ARG C 87 -8.724 6.700 4.469 1.00 0.00 C ATOM 2021 C ARG C 87 -10.182 7.123 4.583 1.00 0.00 C ATOM 2022 O ARG C 87 -10.683 7.913 3.777 1.00 0.00 O ATOM 2023 CB ARG C 87 -7.990 7.037 5.765 1.00 0.00 C ATOM 2024 CG ARG C 87 -6.487 6.852 5.675 1.00 0.00 C ATOM 2025 CD ARG C 87 -5.809 7.237 6.978 1.00 0.00 C ATOM 2026 NE ARG C 87 -6.065 8.635 7.317 1.00 0.00 N ATOM 2027 CZ ARG C 87 -5.926 9.155 8.533 1.00 0.00 C ATOM 2028 NH1 ARG C 87 -5.542 8.398 9.553 1.00 0.00 N ATOM 2029 NH2 ARG C 87 -6.192 10.439 8.733 1.00 0.00 N ATOM 0 H ARG C 87 -7.356 8.024 3.627 1.00 0.00 H new ATOM 0 HA ARG C 87 -8.695 5.624 4.296 1.00 0.00 H new ATOM 0 HB2 ARG C 87 -8.205 8.070 6.037 1.00 0.00 H new ATOM 0 HB3 ARG C 87 -8.378 6.409 6.567 1.00 0.00 H new ATOM 0 HG2 ARG C 87 -6.259 5.813 5.436 1.00 0.00 H new ATOM 0 HG3 ARG C 87 -6.091 7.460 4.862 1.00 0.00 H new ATOM 0 HD2 ARG C 87 -6.169 6.594 7.781 1.00 0.00 H new ATOM 0 HD3 ARG C 87 -4.735 7.072 6.894 1.00 0.00 H new ATOM 0 HE ARG C 87 -6.372 9.256 6.568 1.00 0.00 H new ATOM 0 HH11 ARG C 87 -5.350 7.407 9.409 1.00 0.00 H new ATOM 0 HH12 ARG C 87 -5.439 8.807 10.481 1.00 0.00 H new ATOM 0 HH21 ARG C 87 -6.502 11.023 7.956 1.00 0.00 H new ATOM 0 HH22 ARG C 87 -6.087 10.843 9.664 1.00 0.00 H new ATOM 2043 N ALA C 88 -10.857 6.558 5.571 1.00 0.00 N ATOM 2044 CA ALA C 88 -12.232 6.931 5.882 1.00 0.00 C ATOM 2045 C ALA C 88 -12.340 8.448 6.065 1.00 0.00 C ATOM 2046 O ALA C 88 -11.346 9.107 6.383 1.00 0.00 O ATOM 2047 CB ALA C 88 -12.692 6.204 7.139 1.00 0.00 C ATOM 0 H ALA C 88 -10.473 5.833 6.177 1.00 0.00 H new ATOM 0 HA ALA C 88 -12.878 6.640 5.054 1.00 0.00 H new ATOM 0 HB1 ALA C 88 -13.720 6.486 7.367 1.00 0.00 H new ATOM 0 HB2 ALA C 88 -12.639 5.127 6.977 1.00 0.00 H new ATOM 0 HB3 ALA C 88 -12.047 6.477 7.974 1.00 0.00 H new ATOM 2053 N PRO C 89 -13.539 9.026 5.865 1.00 0.00 N ATOM 2054 CA PRO C 89 -13.729 10.477 5.934 1.00 0.00 C ATOM 2055 C PRO C 89 -13.217 11.071 7.246 1.00 0.00 C ATOM 2056 O PRO C 89 -13.447 10.516 8.328 1.00 0.00 O ATOM 2057 CB PRO C 89 -15.244 10.645 5.823 1.00 0.00 C ATOM 2058 CG PRO C 89 -15.706 9.428 5.103 1.00 0.00 C ATOM 2059 CD PRO C 89 -14.794 8.320 5.541 1.00 0.00 C ATOM 0 HA PRO C 89 -13.173 10.997 5.154 1.00 0.00 H new ATOM 0 HB2 PRO C 89 -15.707 10.723 6.807 1.00 0.00 H new ATOM 0 HB3 PRO C 89 -15.503 11.551 5.276 1.00 0.00 H new ATOM 0 HG2 PRO C 89 -16.743 9.200 5.348 1.00 0.00 H new ATOM 0 HG3 PRO C 89 -15.657 9.571 4.023 1.00 0.00 H new ATOM 0 HD2 PRO C 89 -15.192 7.789 6.405 1.00 0.00 H new ATOM 0 HD3 PRO C 89 -14.649 7.582 4.752 1.00 0.00 H new ATOM 2067 N PRO C 90 -12.531 12.223 7.163 1.00 0.00 N ATOM 2068 CA PRO C 90 -11.863 12.844 8.307 1.00 0.00 C ATOM 2069 C PRO C 90 -12.821 13.594 9.220 1.00 0.00 C ATOM 2070 O PRO C 90 -12.612 14.763 9.547 1.00 0.00 O ATOM 2071 CB PRO C 90 -10.879 13.808 7.651 1.00 0.00 C ATOM 2072 CG PRO C 90 -11.529 14.196 6.369 1.00 0.00 C ATOM 2073 CD PRO C 90 -12.356 13.014 5.930 1.00 0.00 C ATOM 0 HA PRO C 90 -11.396 12.102 8.955 1.00 0.00 H new ATOM 0 HB2 PRO C 90 -10.697 14.678 8.282 1.00 0.00 H new ATOM 0 HB3 PRO C 90 -9.914 13.332 7.478 1.00 0.00 H new ATOM 0 HG2 PRO C 90 -12.155 15.078 6.503 1.00 0.00 H new ATOM 0 HG3 PRO C 90 -10.782 14.447 5.616 1.00 0.00 H new ATOM 0 HD2 PRO C 90 -13.315 13.329 5.518 1.00 0.00 H new ATOM 0 HD3 PRO C 90 -11.850 12.438 5.155 1.00 0.00 H new ATOM 2081 N GLN C 91 -13.872 12.913 9.625 1.00 0.00 N ATOM 2082 CA GLN C 91 -14.820 13.458 10.579 1.00 0.00 C ATOM 2083 C GLN C 91 -14.374 13.137 12.001 1.00 0.00 C ATOM 2084 O GLN C 91 -15.059 13.451 12.974 1.00 0.00 O ATOM 2085 CB GLN C 91 -16.221 12.906 10.304 1.00 0.00 C ATOM 2086 CG GLN C 91 -16.247 11.412 10.043 1.00 0.00 C ATOM 2087 CD GLN C 91 -17.609 10.872 9.880 1.00 0.00 C ATOM 2088 OE1 GLN C 91 -18.527 11.513 9.369 1.00 0.00 O ATOM 2089 NE2 GLN C 91 -17.738 9.675 10.375 1.00 0.00 N ATOM 0 H GLN C 91 -14.094 11.970 9.305 1.00 0.00 H new ATOM 0 HA GLN C 91 -14.855 14.542 10.469 1.00 0.00 H new ATOM 0 HB2 GLN C 91 -16.863 13.128 11.156 1.00 0.00 H new ATOM 0 HB3 GLN C 91 -16.643 13.424 9.443 1.00 0.00 H new ATOM 0 HG2 GLN C 91 -15.669 11.197 9.145 1.00 0.00 H new ATOM 0 HG3 GLN C 91 -15.756 10.897 10.869 1.00 0.00 H new ATOM 0 HE21 GLN C 91 -16.932 9.203 10.784 1.00 0.00 H new ATOM 0 HE22 GLN C 91 -18.645 9.209 10.354 1.00 0.00 H new ATOM 2098 N THR C 92 -13.217 12.499 12.107 1.00 0.00 N ATOM 2099 CA THR C 92 -12.613 12.202 13.388 1.00 0.00 C ATOM 2100 C THR C 92 -11.093 12.311 13.284 1.00 0.00 C ATOM 2101 O THR C 92 -10.530 12.220 12.190 1.00 0.00 O ATOM 2102 CB THR C 92 -13.008 10.791 13.878 1.00 0.00 C ATOM 2103 OG1 THR C 92 -12.516 10.568 15.206 1.00 0.00 O ATOM 2104 CG2 THR C 92 -12.470 9.712 12.945 1.00 0.00 C ATOM 0 H THR C 92 -12.675 12.175 11.306 1.00 0.00 H new ATOM 0 HA THR C 92 -12.980 12.928 14.113 1.00 0.00 H new ATOM 0 HB THR C 92 -14.096 10.734 13.881 1.00 0.00 H new ATOM 0 HG1 THR C 92 -12.775 9.671 15.504 1.00 0.00 H new ATOM 0 HG21 THR C 92 -12.764 8.730 13.316 1.00 0.00 H new ATOM 0 HG22 THR C 92 -12.878 9.859 11.945 1.00 0.00 H new ATOM 0 HG23 THR C 92 -11.382 9.774 12.906 1.00 0.00 H new ATOM 2112 N HIS C 93 -10.439 12.540 14.412 1.00 0.00 N ATOM 2113 CA HIS C 93 -8.985 12.594 14.463 1.00 0.00 C ATOM 2114 C HIS C 93 -8.473 11.803 15.655 1.00 0.00 C ATOM 2115 O HIS C 93 -7.380 12.053 16.162 1.00 0.00 O ATOM 2116 CB HIS C 93 -8.493 14.037 14.536 1.00 0.00 C ATOM 2117 CG HIS C 93 -8.674 14.801 13.261 1.00 0.00 C ATOM 2118 ND1 HIS C 93 -9.464 15.924 13.160 1.00 0.00 N ATOM 2119 CD2 HIS C 93 -8.161 14.594 12.025 1.00 0.00 C ATOM 2120 CE1 HIS C 93 -9.432 16.373 11.920 1.00 0.00 C ATOM 2121 NE2 HIS C 93 -8.647 15.584 11.211 1.00 0.00 N ATOM 0 H HIS C 93 -10.896 12.693 15.311 1.00 0.00 H new ATOM 0 HA HIS C 93 -8.595 12.149 13.548 1.00 0.00 H new ATOM 0 HB2 HIS C 93 -9.024 14.552 15.336 1.00 0.00 H new ATOM 0 HB3 HIS C 93 -7.436 14.038 14.803 1.00 0.00 H new ATOM 0 HD2 HIS C 93 -7.493 13.797 11.734 1.00 0.00 H new ATOM 0 HE1 HIS C 93 -9.959 17.239 11.548 1.00 0.00 H new ATOM 0 HE2 HIS C 93 -8.436 15.693 10.219 1.00 0.00 H new ATOM 2130 N LEU C 94 -9.276 10.846 16.098 1.00 0.00 N ATOM 2131 CA LEU C 94 -8.928 10.019 17.240 1.00 0.00 C ATOM 2132 C LEU C 94 -8.331 8.694 16.775 1.00 0.00 C ATOM 2133 O LEU C 94 -8.973 7.946 16.037 1.00 0.00 O ATOM 2134 CB LEU C 94 -10.160 9.754 18.094 1.00 0.00 C ATOM 2135 CG LEU C 94 -10.949 10.993 18.523 1.00 0.00 C ATOM 2136 CD1 LEU C 94 -12.165 10.590 19.342 1.00 0.00 C ATOM 2137 CD2 LEU C 94 -10.069 11.949 19.316 1.00 0.00 C ATOM 0 H LEU C 94 -10.179 10.624 15.679 1.00 0.00 H new ATOM 0 HA LEU C 94 -8.188 10.552 17.837 1.00 0.00 H new ATOM 0 HB2 LEU C 94 -10.828 9.094 17.540 1.00 0.00 H new ATOM 0 HB3 LEU C 94 -9.850 9.215 18.989 1.00 0.00 H new ATOM 0 HG LEU C 94 -11.288 11.508 17.624 1.00 0.00 H new ATOM 0 HD11 LEU C 94 -12.715 11.483 19.639 1.00 0.00 H new ATOM 0 HD12 LEU C 94 -12.811 9.948 18.743 1.00 0.00 H new ATOM 0 HD13 LEU C 94 -11.842 10.050 20.232 1.00 0.00 H new ATOM 0 HD21 LEU C 94 -10.652 12.822 19.610 1.00 0.00 H new ATOM 0 HD22 LEU C 94 -9.696 11.445 20.208 1.00 0.00 H new ATOM 0 HD23 LEU C 94 -9.228 12.266 18.699 1.00 0.00 H new ATOM 2149 N PRO C 95 -7.088 8.398 17.181 1.00 0.00 N ATOM 2150 CA PRO C 95 -6.427 7.134 16.845 1.00 0.00 C ATOM 2151 C PRO C 95 -7.130 5.943 17.484 1.00 0.00 C ATOM 2152 O PRO C 95 -7.467 5.977 18.669 1.00 0.00 O ATOM 2153 CB PRO C 95 -5.016 7.278 17.424 1.00 0.00 C ATOM 2154 CG PRO C 95 -4.851 8.726 17.737 1.00 0.00 C ATOM 2155 CD PRO C 95 -6.228 9.266 17.994 1.00 0.00 C ATOM 0 HA PRO C 95 -6.436 6.951 15.770 1.00 0.00 H new ATOM 0 HB2 PRO C 95 -4.897 6.668 18.320 1.00 0.00 H new ATOM 0 HB3 PRO C 95 -4.264 6.944 16.709 1.00 0.00 H new ATOM 0 HG2 PRO C 95 -4.211 8.864 18.609 1.00 0.00 H new ATOM 0 HG3 PRO C 95 -4.377 9.251 16.907 1.00 0.00 H new ATOM 0 HD2 PRO C 95 -6.489 9.215 19.051 1.00 0.00 H new ATOM 0 HD3 PRO C 95 -6.313 10.311 17.695 1.00 0.00 H new ATOM 2163 N SER C 96 -7.355 4.897 16.702 1.00 0.00 N ATOM 2164 CA SER C 96 -7.996 3.697 17.188 1.00 0.00 C ATOM 2165 C SER C 96 -7.023 2.864 18.026 1.00 0.00 C ATOM 2166 O SER C 96 -6.760 1.700 17.724 1.00 0.00 O ATOM 2167 CB SER C 96 -8.537 2.878 16.011 1.00 0.00 C ATOM 2168 OG SER C 96 -9.429 1.861 16.447 1.00 0.00 O ATOM 0 H SER C 96 -7.097 4.862 15.716 1.00 0.00 H new ATOM 0 HA SER C 96 -8.831 3.982 17.828 1.00 0.00 H new ATOM 0 HB2 SER C 96 -9.051 3.539 15.313 1.00 0.00 H new ATOM 0 HB3 SER C 96 -7.706 2.426 15.469 1.00 0.00 H new ATOM 0 HG SER C 96 -8.972 1.278 17.089 1.00 0.00 H new ATOM 2174 N GLY C 97 -6.492 3.475 19.079 1.00 0.00 N ATOM 2175 CA GLY C 97 -5.529 2.810 19.930 1.00 0.00 C ATOM 2176 C GLY C 97 -4.172 2.702 19.275 1.00 0.00 C ATOM 2177 O GLY C 97 -3.431 3.682 19.191 1.00 0.00 O ATOM 0 H GLY C 97 -6.716 4.430 19.359 1.00 0.00 H new ATOM 0 HA2 GLY C 97 -5.436 3.357 20.868 1.00 0.00 H new ATOM 0 HA3 GLY C 97 -5.892 1.813 20.177 1.00 0.00 H new ATOM 2181 N ALA C 98 -3.854 1.514 18.793 1.00 0.00 N ATOM 2182 CA ALA C 98 -2.587 1.274 18.128 1.00 0.00 C ATOM 2183 C ALA C 98 -2.736 1.448 16.624 1.00 0.00 C ATOM 2184 O ALA C 98 -3.368 0.627 15.956 1.00 0.00 O ATOM 2185 CB ALA C 98 -2.075 -0.122 18.452 1.00 0.00 C ATOM 0 H ALA C 98 -4.460 0.696 18.851 1.00 0.00 H new ATOM 0 HA ALA C 98 -1.862 2.002 18.491 1.00 0.00 H new ATOM 0 HB1 ALA C 98 -1.124 -0.287 17.946 1.00 0.00 H new ATOM 0 HB2 ALA C 98 -1.935 -0.217 19.529 1.00 0.00 H new ATOM 0 HB3 ALA C 98 -2.799 -0.863 18.114 1.00 0.00 H new ATOM 2191 N SER C 99 -2.171 2.523 16.098 1.00 0.00 N ATOM 2192 CA SER C 99 -2.227 2.786 14.673 1.00 0.00 C ATOM 2193 C SER C 99 -1.145 1.975 13.961 1.00 0.00 C ATOM 2194 O SER C 99 -0.039 2.467 13.729 1.00 0.00 O ATOM 2195 CB SER C 99 -2.059 4.284 14.403 1.00 0.00 C ATOM 2196 OG SER C 99 -2.413 4.618 13.069 1.00 0.00 O ATOM 0 H SER C 99 -1.668 3.227 16.639 1.00 0.00 H new ATOM 0 HA SER C 99 -3.200 2.484 14.286 1.00 0.00 H new ATOM 0 HB2 SER C 99 -2.679 4.851 15.097 1.00 0.00 H new ATOM 0 HB3 SER C 99 -1.025 4.574 14.589 1.00 0.00 H new ATOM 0 HG SER C 99 -2.296 5.581 12.931 1.00 0.00 H new ATOM 2202 N SER C 100 -1.477 0.720 13.655 1.00 0.00 N ATOM 2203 CA SER C 100 -0.554 -0.205 13.002 1.00 0.00 C ATOM 2204 C SER C 100 0.640 -0.508 13.910 1.00 0.00 C ATOM 2205 O SER C 100 1.727 0.059 13.753 1.00 0.00 O ATOM 2206 CB SER C 100 -0.083 0.354 11.653 1.00 0.00 C ATOM 2207 OG SER C 100 0.731 -0.580 10.965 1.00 0.00 O ATOM 0 H SER C 100 -2.393 0.318 13.853 1.00 0.00 H new ATOM 0 HA SER C 100 -1.085 -1.138 12.814 1.00 0.00 H new ATOM 0 HB2 SER C 100 -0.948 0.607 11.040 1.00 0.00 H new ATOM 0 HB3 SER C 100 0.475 1.277 11.814 1.00 0.00 H new ATOM 0 HG SER C 100 0.168 -1.284 10.580 1.00 0.00 H new ATOM 2213 N GLY C 101 0.427 -1.399 14.866 1.00 0.00 N ATOM 2214 CA GLY C 101 1.486 -1.789 15.774 1.00 0.00 C ATOM 2215 C GLY C 101 1.127 -3.041 16.537 1.00 0.00 C ATOM 2216 O GLY C 101 0.335 -3.847 16.007 1.00 0.00 O ATOM 2217 OXT GLY C 101 1.628 -3.231 17.661 1.00 0.00 O ATOM 0 H GLY C 101 -0.467 -1.862 15.030 1.00 0.00 H new ATOM 0 HA2 GLY C 101 2.405 -1.955 15.213 1.00 0.00 H new ATOM 0 HA3 GLY C 101 1.683 -0.978 16.475 1.00 0.00 H new TER 2221 GLY C 101 HETATM 2222 ZN ZN A 101 -15.557 -2.203 -3.107 1.00 0.00 ZN