USER MOD reduce.3.24.130724 H: found=0, std=0, add=1428, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1418 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: B 37 ASN : amide:sc= -1.15 K(o=-0.72,f=-6.4!) USER MOD Set 1.2: B 41 SER OG : rot 162:sc= 0.43 USER MOD Set 2.1: A 7 MET CE :methyl 177:sc= -8.73! (180deg=-6.42!) USER MOD Set 2.2: A 74 MET CE :methyl -123:sc= -4.91! (180deg=-5.17!) USER MOD Set 2.3: A 78 SER OG : rot -150:sc= 0.00257 USER MOD Set 2.4: A 81 THR OG1 : rot 70:sc= -3.4! USER MOD Set 2.5: B 7 MET CE :methyl 180:sc= -8.42! (180deg=-6.25!) USER MOD Set 2.6: B 74 MET CE :methyl -128:sc= -4.96! (180deg=-5.36!) USER MOD Set 2.7: B 78 SER OG : rot -179:sc= 0.00121 USER MOD Set 2.8: B 81 THR OG1 : rot 77:sc= -3.61 USER MOD Set 3.1: A 37 ASN : amide:sc= -1.28! C(o=-0.86!,f=-6.3!) USER MOD Set 3.2: A 41 SER OG : rot 161:sc= 0.417 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -167:sc= -0.0746 (180deg=-0.308) USER MOD Single : A 1 SER OG : rot 72:sc= 0.0444 USER MOD Single : A 5 LYS NZ :NH3+ 157:sc= -0.0476 (180deg=-0.316) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.073) USER MOD Single : A 17 TYR OH : rot 30:sc= -2.3! USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -2.67 K(o=-2.7,f=-1.8) USER MOD Single : A 26 LYS NZ :NH3+ -115:sc= 0 (180deg=-0.882) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.011 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.401 X(o=-0.4,f=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.0577 X(o=-0.058,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -133:sc= -0.0817 (180deg=-0.631) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl -165:sc= -2.77! (180deg=-3.33!) USER MOD Single : A 59 THR OG1 : rot 84:sc= 0.729 USER MOD Single : A 68 CYS SG : rot -119:sc= -4.89! USER MOD Single : A 71 GLN : amide:sc= -0.57 X(o=-0.57,f=-0.2) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 88:sc= 0.686 USER MOD Single : A 84 CYS SG : rot 141:sc= 0.392 USER MOD Single : A 85 HIS : no HE2:sc= -5.24! C(o=-5.2!,f=-8.3!) USER MOD Single : A 90 HIS : no HD1:sc= -0.0162 X(o=-0.016,f=-0.19) USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 0 MET N :NH3+ -167:sc= -0.095 (180deg=-0.312) USER MOD Single : B 1 SER OG : rot 73:sc= 0.034 USER MOD Single : B 5 LYS NZ :NH3+ 156:sc= -0.0616 (180deg=-0.356) USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.18) USER MOD Single : B 17 TYR OH : rot -89:sc= -2.32! USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 HIS : no HD1:sc= -3.09 K(o=-3.1,f=-1.8) USER MOD Single : B 26 LYS NZ :NH3+ -115:sc= -0.0106 (180deg=-0.879) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 SER OG : rot 180:sc= -0.0153 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 ASN : amide:sc= -0.395 X(o=-0.39,f=0) USER MOD Single : B 42 HIS : no HD1:sc= -0.0557 X(o=-0.056,f=-0.0016) USER MOD Single : B 48 LYS NZ :NH3+ -130:sc= -0.079 (180deg=-0.6) USER MOD Single : B 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 MET CE :methyl -167:sc= -2.77! (180deg=-3.3!) USER MOD Single : B 59 THR OG1 : rot 84:sc= 0.73 USER MOD Single : B 68 CYS SG : rot -119:sc= -4.9! USER MOD Single : B 71 GLN : amide:sc= -0.566 X(o=-0.57,f=-0.19) USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 82 THR OG1 : rot 88:sc= 0.693 USER MOD Single : B 84 CYS SG : rot 146:sc= 0.507 USER MOD Single : B 85 HIS : no HE2:sc= -5.14! C(o=-5.1!,f=-8.5!) USER MOD Single : B 90 HIS : no HD1:sc= -0.0269 X(o=-0.027,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 7.657 3.710 -15.907 1.00 0.00 N ATOM 2 CA MET A 0 9.004 3.106 -16.109 1.00 0.00 C ATOM 3 C MET A 0 9.196 1.950 -15.127 1.00 0.00 C ATOM 4 O MET A 0 9.904 1.001 -15.400 1.00 0.00 O ATOM 5 CB MET A 0 10.080 4.165 -15.860 1.00 0.00 C ATOM 6 CG MET A 0 11.447 3.612 -16.270 1.00 0.00 C ATOM 7 SD MET A 0 12.728 4.828 -15.877 1.00 0.00 S ATOM 8 CE MET A 0 14.128 3.921 -16.581 1.00 0.00 C ATOM 0 H1 MET A 0 7.436 4.340 -16.704 1.00 0.00 H new ATOM 0 H2 MET A 0 6.943 2.956 -15.853 1.00 0.00 H new ATOM 0 H3 MET A 0 7.651 4.256 -15.022 1.00 0.00 H new ATOM 0 HA MET A 0 9.086 2.735 -17.131 1.00 0.00 H new ATOM 0 HB2 MET A 0 9.856 5.067 -16.429 1.00 0.00 H new ATOM 0 HB3 MET A 0 10.091 4.447 -14.807 1.00 0.00 H new ATOM 0 HG2 MET A 0 11.645 2.676 -15.747 1.00 0.00 H new ATOM 0 HG3 MET A 0 11.457 3.389 -17.337 1.00 0.00 H new ATOM 0 HE1 MET A 0 15.041 4.500 -16.447 1.00 0.00 H new ATOM 0 HE2 MET A 0 14.230 2.960 -16.076 1.00 0.00 H new ATOM 0 HE3 MET A 0 13.956 3.756 -17.645 1.00 0.00 H new ATOM 20 N SER A 1 8.570 2.024 -13.985 1.00 0.00 N ATOM 21 CA SER A 1 8.716 0.931 -12.984 1.00 0.00 C ATOM 22 C SER A 1 7.334 0.521 -12.471 1.00 0.00 C ATOM 23 O SER A 1 6.377 1.262 -12.573 1.00 0.00 O ATOM 24 CB SER A 1 9.571 1.423 -11.818 1.00 0.00 C ATOM 25 OG SER A 1 9.086 0.858 -10.609 1.00 0.00 O ATOM 0 H SER A 1 7.964 2.794 -13.702 1.00 0.00 H new ATOM 0 HA SER A 1 9.198 0.071 -13.449 1.00 0.00 H new ATOM 0 HB2 SER A 1 10.613 1.142 -11.972 1.00 0.00 H new ATOM 0 HB3 SER A 1 9.539 2.511 -11.763 1.00 0.00 H new ATOM 0 HG SER A 1 9.308 -0.096 -10.582 1.00 0.00 H new ATOM 31 N GLU A 2 7.222 -0.657 -11.922 1.00 0.00 N ATOM 32 CA GLU A 2 5.905 -1.119 -11.405 1.00 0.00 C ATOM 33 C GLU A 2 5.640 -0.494 -10.034 1.00 0.00 C ATOM 34 O GLU A 2 4.510 -0.268 -9.653 1.00 0.00 O ATOM 35 CB GLU A 2 5.921 -2.642 -11.274 1.00 0.00 C ATOM 36 CG GLU A 2 4.515 -3.192 -11.513 1.00 0.00 C ATOM 37 CD GLU A 2 4.354 -3.552 -12.991 1.00 0.00 C ATOM 38 OE1 GLU A 2 4.016 -2.668 -13.760 1.00 0.00 O ATOM 39 OE2 GLU A 2 4.570 -4.705 -13.328 1.00 0.00 O ATOM 0 H GLU A 2 7.988 -1.321 -11.809 1.00 0.00 H new ATOM 0 HA GLU A 2 5.118 -0.817 -12.096 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.618 -3.072 -11.994 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.271 -2.928 -10.282 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.347 -4.072 -10.893 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.769 -2.451 -11.224 1.00 0.00 H new ATOM 46 N LEU A 3 6.672 -0.217 -9.288 1.00 0.00 N ATOM 47 CA LEU A 3 6.477 0.386 -7.939 1.00 0.00 C ATOM 48 C LEU A 3 6.079 1.855 -8.080 1.00 0.00 C ATOM 49 O LEU A 3 5.219 2.348 -7.378 1.00 0.00 O ATOM 50 CB LEU A 3 7.783 0.291 -7.150 1.00 0.00 C ATOM 51 CG LEU A 3 7.467 0.144 -5.662 1.00 0.00 C ATOM 52 CD1 LEU A 3 7.006 -1.286 -5.379 1.00 0.00 C ATOM 53 CD2 LEU A 3 8.722 0.454 -4.840 1.00 0.00 C ATOM 0 H LEU A 3 7.643 -0.382 -9.553 1.00 0.00 H new ATOM 0 HA LEU A 3 5.688 -0.153 -7.415 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.368 -0.562 -7.495 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.388 1.182 -7.318 1.00 0.00 H new ATOM 0 HG LEU A 3 6.675 0.840 -5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.780 -1.392 -4.318 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.112 -1.502 -5.964 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.797 -1.984 -5.653 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.497 0.349 -3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.516 -0.241 -5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.047 1.474 -5.043 1.00 0.00 H new ATOM 65 N GLU A 4 6.709 2.561 -8.974 1.00 0.00 N ATOM 66 CA GLU A 4 6.379 4.003 -9.157 1.00 0.00 C ATOM 67 C GLU A 4 5.022 4.147 -9.856 1.00 0.00 C ATOM 68 O GLU A 4 4.152 4.864 -9.400 1.00 0.00 O ATOM 69 CB GLU A 4 7.475 4.660 -10.005 1.00 0.00 C ATOM 70 CG GLU A 4 6.980 6.001 -10.555 1.00 0.00 C ATOM 71 CD GLU A 4 6.641 5.848 -12.038 1.00 0.00 C ATOM 72 OE1 GLU A 4 7.186 4.951 -12.662 1.00 0.00 O ATOM 73 OE2 GLU A 4 5.842 6.629 -12.526 1.00 0.00 O ATOM 0 H GLU A 4 7.440 2.202 -9.588 1.00 0.00 H new ATOM 0 HA GLU A 4 6.323 4.492 -8.184 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.370 4.813 -9.402 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.754 4.001 -10.827 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.101 6.331 -10.002 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.745 6.766 -10.423 1.00 0.00 H new ATOM 80 N LYS A 5 4.835 3.484 -10.963 1.00 0.00 N ATOM 81 CA LYS A 5 3.539 3.597 -11.692 1.00 0.00 C ATOM 82 C LYS A 5 2.407 2.985 -10.864 1.00 0.00 C ATOM 83 O LYS A 5 1.272 3.407 -10.944 1.00 0.00 O ATOM 84 CB LYS A 5 3.644 2.856 -13.027 1.00 0.00 C ATOM 85 CG LYS A 5 3.200 3.779 -14.163 1.00 0.00 C ATOM 86 CD LYS A 5 4.299 3.843 -15.226 1.00 0.00 C ATOM 87 CE LYS A 5 4.116 2.695 -16.221 1.00 0.00 C ATOM 88 NZ LYS A 5 2.953 2.983 -17.106 1.00 0.00 N ATOM 0 H LYS A 5 5.524 2.868 -11.395 1.00 0.00 H new ATOM 0 HA LYS A 5 3.322 4.651 -11.865 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.670 2.527 -13.192 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.022 1.961 -13.008 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.273 3.411 -14.604 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.995 4.777 -13.776 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.260 4.799 -15.747 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.280 3.777 -14.755 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.019 2.571 -16.819 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.956 1.759 -15.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.050 2.447 -17.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.074 2.703 -16.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.922 4.001 -17.318 1.00 0.00 H new ATOM 102 N ALA A 6 2.700 1.986 -10.079 1.00 0.00 N ATOM 103 CA ALA A 6 1.629 1.344 -9.262 1.00 0.00 C ATOM 104 C ALA A 6 1.346 2.175 -8.006 1.00 0.00 C ATOM 105 O ALA A 6 0.257 2.678 -7.816 1.00 0.00 O ATOM 106 CB ALA A 6 2.078 -0.060 -8.854 1.00 0.00 C ATOM 0 H ALA A 6 3.632 1.586 -9.967 1.00 0.00 H new ATOM 0 HA ALA A 6 0.717 1.284 -9.856 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.298 -0.532 -8.257 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.263 -0.657 -9.747 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.994 0.007 -8.267 1.00 0.00 H new ATOM 112 N MET A 7 2.312 2.310 -7.140 1.00 0.00 N ATOM 113 CA MET A 7 2.094 3.094 -5.889 1.00 0.00 C ATOM 114 C MET A 7 1.563 4.485 -6.235 1.00 0.00 C ATOM 115 O MET A 7 0.554 4.924 -5.714 1.00 0.00 O ATOM 116 CB MET A 7 3.424 3.223 -5.136 1.00 0.00 C ATOM 117 CG MET A 7 3.339 4.354 -4.100 1.00 0.00 C ATOM 118 SD MET A 7 1.791 4.223 -3.169 1.00 0.00 S ATOM 119 CE MET A 7 2.368 3.033 -1.935 1.00 0.00 C ATOM 0 H MET A 7 3.245 1.911 -7.244 1.00 0.00 H new ATOM 0 HA MET A 7 1.365 2.581 -5.261 1.00 0.00 H new ATOM 0 HB2 MET A 7 3.662 2.282 -4.640 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.231 3.425 -5.840 1.00 0.00 H new ATOM 0 HG2 MET A 7 4.189 4.300 -3.419 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.392 5.321 -4.600 1.00 0.00 H new ATOM 0 HE1 MET A 7 1.574 2.845 -1.212 1.00 0.00 H new ATOM 0 HE2 MET A 7 2.638 2.099 -2.428 1.00 0.00 H new ATOM 0 HE3 MET A 7 3.240 3.437 -1.420 1.00 0.00 H new ATOM 129 N VAL A 8 2.235 5.185 -7.099 1.00 0.00 N ATOM 130 CA VAL A 8 1.770 6.551 -7.465 1.00 0.00 C ATOM 131 C VAL A 8 0.384 6.463 -8.105 1.00 0.00 C ATOM 132 O VAL A 8 -0.406 7.381 -8.022 1.00 0.00 O ATOM 133 CB VAL A 8 2.760 7.180 -8.443 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.459 8.673 -8.581 1.00 0.00 C ATOM 135 CG2 VAL A 8 4.182 7.001 -7.909 1.00 0.00 C ATOM 0 H VAL A 8 3.085 4.873 -7.568 1.00 0.00 H new ATOM 0 HA VAL A 8 1.710 7.171 -6.570 1.00 0.00 H new ATOM 0 HB VAL A 8 2.668 6.696 -9.415 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.165 9.123 -9.279 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.444 8.806 -8.955 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.553 9.155 -7.608 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.891 7.449 -8.605 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.270 7.488 -6.938 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.400 5.938 -7.803 1.00 0.00 H new ATOM 145 N ALA A 9 0.075 5.360 -8.735 1.00 0.00 N ATOM 146 CA ALA A 9 -1.268 5.216 -9.364 1.00 0.00 C ATOM 147 C ALA A 9 -2.330 5.199 -8.266 1.00 0.00 C ATOM 148 O ALA A 9 -3.395 5.768 -8.407 1.00 0.00 O ATOM 149 CB ALA A 9 -1.332 3.904 -10.146 1.00 0.00 C ATOM 0 H ALA A 9 0.693 4.556 -8.840 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.445 6.050 -10.043 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.315 3.802 -10.605 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.567 3.906 -10.923 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.159 3.068 -9.469 1.00 0.00 H new ATOM 155 N LEU A 10 -2.046 4.554 -7.170 1.00 0.00 N ATOM 156 CA LEU A 10 -3.037 4.505 -6.062 1.00 0.00 C ATOM 157 C LEU A 10 -3.343 5.929 -5.605 1.00 0.00 C ATOM 158 O LEU A 10 -4.423 6.219 -5.132 1.00 0.00 O ATOM 159 CB LEU A 10 -2.465 3.699 -4.895 1.00 0.00 C ATOM 160 CG LEU A 10 -3.263 2.404 -4.733 1.00 0.00 C ATOM 161 CD1 LEU A 10 -2.313 1.206 -4.798 1.00 0.00 C ATOM 162 CD2 LEU A 10 -3.979 2.415 -3.380 1.00 0.00 C ATOM 0 H LEU A 10 -1.171 4.059 -6.994 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.953 4.026 -6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.414 3.472 -5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.511 4.285 -3.977 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.998 2.327 -5.534 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.882 0.284 -4.682 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.802 1.199 -5.761 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.577 1.281 -3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.548 1.493 -3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.243 2.492 -2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.656 3.268 -3.334 1.00 0.00 H new ATOM 174 N ILE A 11 -2.409 6.828 -5.755 1.00 0.00 N ATOM 175 CA ILE A 11 -2.668 8.235 -5.341 1.00 0.00 C ATOM 176 C ILE A 11 -3.664 8.848 -6.327 1.00 0.00 C ATOM 177 O ILE A 11 -4.471 9.685 -5.976 1.00 0.00 O ATOM 178 CB ILE A 11 -1.354 9.027 -5.355 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.569 8.734 -4.075 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.652 10.528 -5.426 1.00 0.00 C ATOM 181 CD1 ILE A 11 -0.524 7.223 -3.833 1.00 0.00 C ATOM 0 H ILE A 11 -1.483 6.650 -6.144 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.079 8.265 -4.332 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.768 8.731 -6.225 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.443 9.129 -4.159 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.037 9.234 -3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.715 11.085 -5.436 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.213 10.745 -6.335 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.241 10.824 -4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.036 7.017 -2.921 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.540 6.841 -3.730 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.036 6.734 -4.676 1.00 0.00 H new ATOM 193 N ASP A 12 -3.615 8.421 -7.560 1.00 0.00 N ATOM 194 CA ASP A 12 -4.557 8.958 -8.578 1.00 0.00 C ATOM 195 C ASP A 12 -5.983 8.565 -8.192 1.00 0.00 C ATOM 196 O ASP A 12 -6.843 9.403 -8.007 1.00 0.00 O ATOM 197 CB ASP A 12 -4.212 8.365 -9.946 1.00 0.00 C ATOM 198 CG ASP A 12 -4.922 9.160 -11.042 1.00 0.00 C ATOM 199 OD1 ASP A 12 -6.123 8.997 -11.182 1.00 0.00 O ATOM 200 OD2 ASP A 12 -4.254 9.919 -11.725 1.00 0.00 O ATOM 0 H ASP A 12 -2.959 7.720 -7.905 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.477 10.044 -8.625 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.134 8.391 -10.104 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.515 7.319 -9.987 1.00 0.00 H new ATOM 205 N VAL A 13 -6.235 7.291 -8.061 1.00 0.00 N ATOM 206 CA VAL A 13 -7.599 6.834 -7.674 1.00 0.00 C ATOM 207 C VAL A 13 -7.988 7.515 -6.357 1.00 0.00 C ATOM 208 O VAL A 13 -8.996 8.186 -6.261 1.00 0.00 O ATOM 209 CB VAL A 13 -7.577 5.295 -7.527 1.00 0.00 C ATOM 210 CG1 VAL A 13 -7.907 4.853 -6.095 1.00 0.00 C ATOM 211 CG2 VAL A 13 -8.601 4.680 -8.484 1.00 0.00 C ATOM 0 H VAL A 13 -5.553 6.546 -8.206 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.336 7.100 -8.431 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.570 4.953 -7.766 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.881 3.765 -6.035 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.173 5.272 -5.407 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.902 5.207 -5.825 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.588 3.595 -8.383 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.596 5.055 -8.243 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.350 4.952 -9.509 1.00 0.00 H new ATOM 221 N PHE A 14 -7.188 7.337 -5.345 1.00 0.00 N ATOM 222 CA PHE A 14 -7.491 7.960 -4.025 1.00 0.00 C ATOM 223 C PHE A 14 -7.962 9.401 -4.224 1.00 0.00 C ATOM 224 O PHE A 14 -8.797 9.896 -3.494 1.00 0.00 O ATOM 225 CB PHE A 14 -6.230 7.953 -3.159 1.00 0.00 C ATOM 226 CG PHE A 14 -6.549 8.541 -1.805 1.00 0.00 C ATOM 227 CD1 PHE A 14 -7.565 7.984 -1.021 1.00 0.00 C ATOM 228 CD2 PHE A 14 -5.829 9.645 -1.334 1.00 0.00 C ATOM 229 CE1 PHE A 14 -7.860 8.529 0.234 1.00 0.00 C ATOM 230 CE2 PHE A 14 -6.124 10.190 -0.078 1.00 0.00 C ATOM 231 CZ PHE A 14 -7.140 9.632 0.705 1.00 0.00 C ATOM 0 H PHE A 14 -6.332 6.784 -5.374 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.279 7.390 -3.533 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.858 6.935 -3.047 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.441 8.530 -3.641 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.122 7.133 -1.384 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.046 10.077 -1.939 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.644 8.098 0.839 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.567 11.041 0.286 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.369 10.053 1.673 1.00 0.00 H new ATOM 241 N HIS A 15 -7.432 10.083 -5.202 1.00 0.00 N ATOM 242 CA HIS A 15 -7.856 11.493 -5.438 1.00 0.00 C ATOM 243 C HIS A 15 -9.254 11.504 -6.055 1.00 0.00 C ATOM 244 O HIS A 15 -10.136 12.212 -5.611 1.00 0.00 O ATOM 245 CB HIS A 15 -6.870 12.169 -6.391 1.00 0.00 C ATOM 246 CG HIS A 15 -7.002 13.662 -6.271 1.00 0.00 C ATOM 247 ND1 HIS A 15 -7.800 14.405 -7.126 1.00 0.00 N ATOM 248 CD2 HIS A 15 -6.447 14.566 -5.398 1.00 0.00 C ATOM 249 CE1 HIS A 15 -7.704 15.695 -6.753 1.00 0.00 C ATOM 250 NE2 HIS A 15 -6.890 15.849 -5.705 1.00 0.00 N ATOM 0 H HIS A 15 -6.726 9.727 -5.846 1.00 0.00 H new ATOM 0 HA HIS A 15 -7.872 12.034 -4.492 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -5.851 11.863 -6.155 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -7.067 11.857 -7.417 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.769 14.318 -4.595 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -8.222 16.507 -7.242 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -6.646 16.719 -5.232 1.00 0.00 H new ATOM 258 N GLN A 16 -9.460 10.721 -7.077 1.00 0.00 N ATOM 259 CA GLN A 16 -10.798 10.678 -7.731 1.00 0.00 C ATOM 260 C GLN A 16 -11.874 10.436 -6.671 1.00 0.00 C ATOM 261 O GLN A 16 -12.977 10.940 -6.764 1.00 0.00 O ATOM 262 CB GLN A 16 -10.818 9.535 -8.747 1.00 0.00 C ATOM 263 CG GLN A 16 -11.642 9.951 -9.967 1.00 0.00 C ATOM 264 CD GLN A 16 -10.710 10.182 -11.157 1.00 0.00 C ATOM 265 OE1 GLN A 16 -10.819 11.177 -11.845 1.00 0.00 O ATOM 266 NE2 GLN A 16 -9.790 9.297 -11.432 1.00 0.00 N ATOM 0 H GLN A 16 -8.757 10.107 -7.489 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.994 11.624 -8.236 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.801 9.286 -9.050 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.245 8.640 -8.295 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.371 9.177 -10.207 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.202 10.860 -9.748 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.698 8.461 -10.855 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.164 9.442 -12.224 1.00 0.00 H new ATOM 275 N TYR A 17 -11.562 9.666 -5.670 1.00 0.00 N ATOM 276 CA TYR A 17 -12.563 9.382 -4.601 1.00 0.00 C ATOM 277 C TYR A 17 -12.589 10.536 -3.596 1.00 0.00 C ATOM 278 O TYR A 17 -13.621 10.879 -3.055 1.00 0.00 O ATOM 279 CB TYR A 17 -12.174 8.091 -3.876 1.00 0.00 C ATOM 280 CG TYR A 17 -12.510 6.898 -4.740 1.00 0.00 C ATOM 281 CD1 TYR A 17 -13.847 6.531 -4.934 1.00 0.00 C ATOM 282 CD2 TYR A 17 -11.485 6.156 -5.340 1.00 0.00 C ATOM 283 CE1 TYR A 17 -14.159 5.422 -5.730 1.00 0.00 C ATOM 284 CE2 TYR A 17 -11.799 5.045 -6.136 1.00 0.00 C ATOM 285 CZ TYR A 17 -13.136 4.679 -6.331 1.00 0.00 C ATOM 286 OH TYR A 17 -13.444 3.587 -7.116 1.00 0.00 O ATOM 0 H TYR A 17 -10.654 9.218 -5.543 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.550 9.272 -5.051 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.108 8.098 -3.648 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -12.703 8.024 -2.925 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -14.637 7.103 -4.470 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.454 6.439 -5.190 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.190 5.139 -5.881 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -11.009 4.472 -6.599 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.317 3.725 -7.540 1.00 0.00 H new ATOM 296 N SER A 18 -11.459 11.135 -3.339 1.00 0.00 N ATOM 297 CA SER A 18 -11.414 12.262 -2.363 1.00 0.00 C ATOM 298 C SER A 18 -11.567 13.591 -3.106 1.00 0.00 C ATOM 299 O SER A 18 -11.125 14.625 -2.646 1.00 0.00 O ATOM 300 CB SER A 18 -10.076 12.236 -1.627 1.00 0.00 C ATOM 301 OG SER A 18 -10.239 11.574 -0.380 1.00 0.00 O ATOM 0 H SER A 18 -10.563 10.893 -3.763 1.00 0.00 H new ATOM 0 HA SER A 18 -12.228 12.157 -1.645 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.326 11.722 -2.229 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.715 13.252 -1.468 1.00 0.00 H new ATOM 0 HG SER A 18 -9.382 11.554 0.094 1.00 0.00 H new ATOM 307 N GLY A 19 -12.193 13.573 -4.251 1.00 0.00 N ATOM 308 CA GLY A 19 -12.375 14.832 -5.021 1.00 0.00 C ATOM 309 C GLY A 19 -13.862 15.198 -5.067 1.00 0.00 C ATOM 310 O GLY A 19 -14.257 16.145 -5.717 1.00 0.00 O ATOM 0 H GLY A 19 -12.586 12.738 -4.686 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.806 15.638 -4.558 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.989 14.710 -6.033 1.00 0.00 H new ATOM 314 N ARG A 20 -14.690 14.452 -4.387 1.00 0.00 N ATOM 315 CA ARG A 20 -16.150 14.759 -4.399 1.00 0.00 C ATOM 316 C ARG A 20 -16.474 15.779 -3.302 1.00 0.00 C ATOM 317 O ARG A 20 -16.761 15.425 -2.176 1.00 0.00 O ATOM 318 CB ARG A 20 -16.943 13.473 -4.150 1.00 0.00 C ATOM 319 CG ARG A 20 -16.698 12.486 -5.295 1.00 0.00 C ATOM 320 CD ARG A 20 -17.833 11.459 -5.340 1.00 0.00 C ATOM 321 NE ARG A 20 -17.310 10.159 -5.853 1.00 0.00 N ATOM 322 CZ ARG A 20 -18.020 9.071 -5.723 1.00 0.00 C ATOM 323 NH1 ARG A 20 -18.482 8.730 -4.551 1.00 0.00 N ATOM 324 NH2 ARG A 20 -18.267 8.324 -6.764 1.00 0.00 N ATOM 0 H ARG A 20 -14.420 13.645 -3.825 1.00 0.00 H new ATOM 0 HA ARG A 20 -16.423 15.175 -5.369 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -16.643 13.027 -3.202 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -18.007 13.699 -4.073 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -16.640 13.021 -6.243 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -15.742 11.981 -5.155 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -18.256 11.325 -4.344 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -18.637 11.818 -5.982 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.397 10.120 -6.306 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -18.288 9.313 -3.737 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -19.037 7.880 -4.449 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -17.905 8.590 -7.680 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -18.822 7.474 -6.662 1.00 0.00 H new ATOM 338 N GLU A 21 -16.437 17.045 -3.626 1.00 0.00 N ATOM 339 CA GLU A 21 -16.746 18.096 -2.609 1.00 0.00 C ATOM 340 C GLU A 21 -16.103 17.729 -1.272 1.00 0.00 C ATOM 341 O GLU A 21 -15.218 16.899 -1.204 1.00 0.00 O ATOM 342 CB GLU A 21 -18.265 18.232 -2.420 1.00 0.00 C ATOM 343 CG GLU A 21 -19.004 17.145 -3.207 1.00 0.00 C ATOM 344 CD GLU A 21 -20.482 17.518 -3.327 1.00 0.00 C ATOM 345 OE1 GLU A 21 -21.167 17.478 -2.318 1.00 0.00 O ATOM 346 OE2 GLU A 21 -20.904 17.840 -4.424 1.00 0.00 O ATOM 0 H GLU A 21 -16.205 17.398 -4.554 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.345 19.046 -2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -18.514 18.155 -1.362 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.592 19.217 -2.754 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.564 17.036 -4.198 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.900 16.183 -2.705 1.00 0.00 H new ATOM 353 N GLY A 22 -16.541 18.345 -0.206 1.00 0.00 N ATOM 354 CA GLY A 22 -15.955 18.038 1.128 1.00 0.00 C ATOM 355 C GLY A 22 -14.532 18.592 1.197 1.00 0.00 C ATOM 356 O GLY A 22 -14.146 19.434 0.411 1.00 0.00 O ATOM 0 H GLY A 22 -17.280 19.048 -0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -16.567 18.477 1.916 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.946 16.961 1.294 1.00 0.00 H new ATOM 360 N ASP A 23 -13.747 18.128 2.128 1.00 0.00 N ATOM 361 CA ASP A 23 -12.353 18.630 2.243 1.00 0.00 C ATOM 362 C ASP A 23 -11.616 18.394 0.920 1.00 0.00 C ATOM 363 O ASP A 23 -11.714 19.184 0.003 1.00 0.00 O ATOM 364 CB ASP A 23 -11.646 17.885 3.375 1.00 0.00 C ATOM 365 CG ASP A 23 -12.006 18.534 4.714 1.00 0.00 C ATOM 366 OD1 ASP A 23 -12.993 18.124 5.302 1.00 0.00 O ATOM 367 OD2 ASP A 23 -11.288 19.430 5.128 1.00 0.00 O ATOM 0 H ASP A 23 -14.012 17.422 2.815 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.359 19.698 2.461 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.942 16.836 3.375 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.567 17.911 3.224 1.00 0.00 H new ATOM 372 N LYS A 24 -10.888 17.312 0.812 1.00 0.00 N ATOM 373 CA LYS A 24 -10.149 17.021 -0.456 1.00 0.00 C ATOM 374 C LYS A 24 -9.235 15.808 -0.254 1.00 0.00 C ATOM 375 O LYS A 24 -8.877 15.128 -1.195 1.00 0.00 O ATOM 376 CB LYS A 24 -9.298 18.231 -0.858 1.00 0.00 C ATOM 377 CG LYS A 24 -8.545 17.919 -2.155 1.00 0.00 C ATOM 378 CD LYS A 24 -9.544 17.754 -3.304 1.00 0.00 C ATOM 379 CE LYS A 24 -9.565 19.025 -4.156 1.00 0.00 C ATOM 380 NZ LYS A 24 -10.848 19.095 -4.911 1.00 0.00 N ATOM 0 H LYS A 24 -10.773 16.615 1.548 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.872 16.810 -1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.933 19.106 -0.996 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.591 18.472 -0.064 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.844 18.722 -2.382 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.958 17.008 -2.036 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.268 16.897 -3.919 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.539 17.554 -2.907 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.456 19.904 -3.520 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.723 19.026 -4.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.863 19.959 -5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.933 18.262 -5.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.644 19.113 -4.242 1.00 0.00 H new ATOM 394 N HIS A 25 -8.849 15.531 0.964 1.00 0.00 N ATOM 395 CA HIS A 25 -7.960 14.360 1.215 1.00 0.00 C ATOM 396 C HIS A 25 -8.509 13.546 2.388 1.00 0.00 C ATOM 397 O HIS A 25 -7.794 13.211 3.311 1.00 0.00 O ATOM 398 CB HIS A 25 -6.548 14.848 1.553 1.00 0.00 C ATOM 399 CG HIS A 25 -6.258 16.118 0.802 1.00 0.00 C ATOM 400 ND1 HIS A 25 -6.182 17.350 1.436 1.00 0.00 N ATOM 401 CD2 HIS A 25 -6.024 16.364 -0.528 1.00 0.00 C ATOM 402 CE1 HIS A 25 -5.912 18.272 0.496 1.00 0.00 C ATOM 403 NE2 HIS A 25 -5.806 17.725 -0.720 1.00 0.00 N ATOM 0 H HIS A 25 -9.111 16.064 1.793 1.00 0.00 H new ATOM 0 HA HIS A 25 -7.924 13.737 0.322 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.459 15.020 2.626 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.816 14.084 1.291 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -6.011 15.616 -1.307 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -5.795 19.326 0.698 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -5.608 18.203 -1.599 1.00 0.00 H new ATOM 411 N LYS A 26 -9.775 13.224 2.363 1.00 0.00 N ATOM 412 CA LYS A 26 -10.365 12.431 3.479 1.00 0.00 C ATOM 413 C LYS A 26 -11.412 11.463 2.925 1.00 0.00 C ATOM 414 O LYS A 26 -12.363 11.861 2.284 1.00 0.00 O ATOM 415 CB LYS A 26 -11.027 13.376 4.487 1.00 0.00 C ATOM 416 CG LYS A 26 -12.291 13.979 3.869 1.00 0.00 C ATOM 417 CD LYS A 26 -13.503 13.131 4.257 1.00 0.00 C ATOM 418 CE LYS A 26 -14.395 13.919 5.222 1.00 0.00 C ATOM 419 NZ LYS A 26 -14.013 13.599 6.626 1.00 0.00 N ATOM 0 H LYS A 26 -10.425 13.476 1.618 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.576 11.866 3.975 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.278 12.834 5.399 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.333 14.168 4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.425 15.004 4.216 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.194 14.020 2.784 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -14.068 12.857 3.366 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.175 12.203 4.725 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.290 14.989 5.040 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.442 13.668 5.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.802 13.113 7.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.176 12.982 6.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.794 14.479 7.135 1.00 0.00 H new ATOM 433 N LEU A 27 -11.246 10.192 3.171 1.00 0.00 N ATOM 434 CA LEU A 27 -12.233 9.199 2.662 1.00 0.00 C ATOM 435 C LEU A 27 -13.214 8.843 3.783 1.00 0.00 C ATOM 436 O LEU A 27 -13.345 9.558 4.755 1.00 0.00 O ATOM 437 CB LEU A 27 -11.495 7.937 2.207 1.00 0.00 C ATOM 438 CG LEU A 27 -11.630 7.778 0.690 1.00 0.00 C ATOM 439 CD1 LEU A 27 -10.863 6.535 0.235 1.00 0.00 C ATOM 440 CD2 LEU A 27 -13.108 7.626 0.324 1.00 0.00 C ATOM 0 H LEU A 27 -10.469 9.799 3.703 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.780 9.622 1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.443 8.000 2.483 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.905 7.062 2.712 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.220 8.658 0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.960 6.423 -0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.810 6.641 0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.272 5.654 0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.206 7.513 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.517 6.746 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.656 8.511 0.647 1.00 0.00 H new ATOM 452 N LYS A 28 -13.905 7.741 3.657 1.00 0.00 N ATOM 453 CA LYS A 28 -14.875 7.345 4.717 1.00 0.00 C ATOM 454 C LYS A 28 -14.832 5.827 4.906 1.00 0.00 C ATOM 455 O LYS A 28 -14.021 5.142 4.316 1.00 0.00 O ATOM 456 CB LYS A 28 -16.284 7.770 4.304 1.00 0.00 C ATOM 457 CG LYS A 28 -16.488 9.249 4.639 1.00 0.00 C ATOM 458 CD LYS A 28 -17.863 9.701 4.144 1.00 0.00 C ATOM 459 CE LYS A 28 -18.890 9.523 5.263 1.00 0.00 C ATOM 460 NZ LYS A 28 -20.240 9.913 4.765 1.00 0.00 N ATOM 0 H LYS A 28 -13.839 7.099 2.867 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.610 7.835 5.654 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.427 7.605 3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.026 7.163 4.823 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.409 9.403 5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.707 9.849 4.173 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.825 10.745 3.833 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.156 9.119 3.270 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.900 8.486 5.600 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.617 10.135 6.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -20.939 9.792 5.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -20.225 10.908 4.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -20.499 9.311 3.958 1.00 0.00 H new ATOM 474 N LYS A 29 -15.700 5.294 5.722 1.00 0.00 N ATOM 475 CA LYS A 29 -15.703 3.819 5.940 1.00 0.00 C ATOM 476 C LYS A 29 -16.618 3.157 4.908 1.00 0.00 C ATOM 477 O LYS A 29 -16.452 2.003 4.566 1.00 0.00 O ATOM 478 CB LYS A 29 -16.211 3.512 7.352 1.00 0.00 C ATOM 479 CG LYS A 29 -15.501 4.420 8.358 1.00 0.00 C ATOM 480 CD LYS A 29 -13.987 4.282 8.190 1.00 0.00 C ATOM 481 CE LYS A 29 -13.308 4.444 9.550 1.00 0.00 C ATOM 482 NZ LYS A 29 -12.694 3.147 9.955 1.00 0.00 N ATOM 0 H LYS A 29 -16.405 5.813 6.245 1.00 0.00 H new ATOM 0 HA LYS A 29 -14.691 3.430 5.830 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -17.289 3.667 7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -16.027 2.466 7.597 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.802 5.456 8.204 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -15.791 4.152 9.374 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.745 3.308 7.764 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.617 5.035 7.495 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.544 5.220 9.497 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.036 4.763 10.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.232 3.256 10.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.433 2.418 10.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.988 2.861 9.247 1.00 0.00 H new ATOM 496 N SER A 30 -17.583 3.880 4.410 1.00 0.00 N ATOM 497 CA SER A 30 -18.506 3.296 3.396 1.00 0.00 C ATOM 498 C SER A 30 -17.837 3.326 2.020 1.00 0.00 C ATOM 499 O SER A 30 -17.851 2.353 1.291 1.00 0.00 O ATOM 500 CB SER A 30 -19.797 4.112 3.357 1.00 0.00 C ATOM 501 OG SER A 30 -19.477 5.487 3.191 1.00 0.00 O ATOM 0 H SER A 30 -17.772 4.850 4.661 1.00 0.00 H new ATOM 0 HA SER A 30 -18.737 2.265 3.663 1.00 0.00 H new ATOM 0 HB2 SER A 30 -20.431 3.773 2.538 1.00 0.00 H new ATOM 0 HB3 SER A 30 -20.361 3.966 4.278 1.00 0.00 H new ATOM 0 HG SER A 30 -20.303 6.014 3.164 1.00 0.00 H new ATOM 507 N GLU A 31 -17.245 4.432 1.662 1.00 0.00 N ATOM 508 CA GLU A 31 -16.569 4.516 0.339 1.00 0.00 C ATOM 509 C GLU A 31 -15.261 3.736 0.416 1.00 0.00 C ATOM 510 O GLU A 31 -14.735 3.283 -0.578 1.00 0.00 O ATOM 511 CB GLU A 31 -16.277 5.981 0.000 1.00 0.00 C ATOM 512 CG GLU A 31 -16.067 6.126 -1.509 1.00 0.00 C ATOM 513 CD GLU A 31 -16.427 7.550 -1.940 1.00 0.00 C ATOM 514 OE1 GLU A 31 -17.315 8.125 -1.332 1.00 0.00 O ATOM 515 OE2 GLU A 31 -15.807 8.040 -2.868 1.00 0.00 O ATOM 0 H GLU A 31 -17.201 5.279 2.228 1.00 0.00 H new ATOM 0 HA GLU A 31 -17.210 4.097 -0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.104 6.612 0.325 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.390 6.319 0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.030 5.908 -1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.686 5.405 -2.044 1.00 0.00 H new ATOM 522 N LEU A 32 -14.745 3.563 1.602 1.00 0.00 N ATOM 523 CA LEU A 32 -13.484 2.794 1.757 1.00 0.00 C ATOM 524 C LEU A 32 -13.815 1.306 1.650 1.00 0.00 C ATOM 525 O LEU A 32 -13.139 0.552 0.978 1.00 0.00 O ATOM 526 CB LEU A 32 -12.872 3.094 3.129 1.00 0.00 C ATOM 527 CG LEU A 32 -11.798 2.054 3.450 1.00 0.00 C ATOM 528 CD1 LEU A 32 -10.755 2.036 2.330 1.00 0.00 C ATOM 529 CD2 LEU A 32 -11.120 2.414 4.774 1.00 0.00 C ATOM 0 H LEU A 32 -15.144 3.922 2.469 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.769 3.073 0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.438 4.094 3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.647 3.080 3.895 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.258 1.069 3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.989 1.295 2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.238 1.780 1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.294 3.020 2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.354 1.673 5.004 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.659 3.398 4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.863 2.427 5.571 1.00 0.00 H new ATOM 541 N LYS A 33 -14.865 0.886 2.299 1.00 0.00 N ATOM 542 CA LYS A 33 -15.267 -0.545 2.232 1.00 0.00 C ATOM 543 C LYS A 33 -15.485 -0.929 0.770 1.00 0.00 C ATOM 544 O LYS A 33 -15.088 -1.989 0.324 1.00 0.00 O ATOM 545 CB LYS A 33 -16.572 -0.734 3.005 1.00 0.00 C ATOM 546 CG LYS A 33 -16.681 -2.182 3.483 1.00 0.00 C ATOM 547 CD LYS A 33 -17.827 -2.304 4.488 1.00 0.00 C ATOM 548 CE LYS A 33 -17.810 -3.702 5.108 1.00 0.00 C ATOM 549 NZ LYS A 33 -18.407 -4.676 4.151 1.00 0.00 N ATOM 0 H LYS A 33 -15.464 1.476 2.876 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.490 -1.173 2.667 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.603 -0.056 3.858 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -17.422 -0.485 2.369 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.856 -2.844 2.635 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -15.744 -2.495 3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -17.725 -1.547 5.266 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -18.781 -2.125 3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -16.787 -3.992 5.349 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.370 -3.704 6.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -18.396 -5.627 4.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -19.388 -4.401 3.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -17.854 -4.681 3.270 1.00 0.00 H new ATOM 563 N GLU A 34 -16.106 -0.064 0.019 1.00 0.00 N ATOM 564 CA GLU A 34 -16.348 -0.356 -1.418 1.00 0.00 C ATOM 565 C GLU A 34 -15.030 -0.193 -2.172 1.00 0.00 C ATOM 566 O GLU A 34 -14.754 -0.875 -3.137 1.00 0.00 O ATOM 567 CB GLU A 34 -17.407 0.625 -1.948 1.00 0.00 C ATOM 568 CG GLU A 34 -16.754 1.888 -2.520 1.00 0.00 C ATOM 569 CD GLU A 34 -16.425 1.671 -3.999 1.00 0.00 C ATOM 570 OE1 GLU A 34 -17.333 1.766 -4.807 1.00 0.00 O ATOM 571 OE2 GLU A 34 -15.271 1.411 -4.297 1.00 0.00 O ATOM 0 H GLU A 34 -16.458 0.837 0.342 1.00 0.00 H new ATOM 0 HA GLU A 34 -16.713 -1.374 -1.557 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -18.003 0.139 -2.720 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -18.089 0.898 -1.143 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -17.425 2.739 -2.407 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.845 2.123 -1.966 1.00 0.00 H new ATOM 578 N LEU A 35 -14.220 0.715 -1.721 1.00 0.00 N ATOM 579 CA LEU A 35 -12.909 0.956 -2.379 1.00 0.00 C ATOM 580 C LEU A 35 -12.105 -0.347 -2.423 1.00 0.00 C ATOM 581 O LEU A 35 -11.482 -0.670 -3.415 1.00 0.00 O ATOM 582 CB LEU A 35 -12.139 2.007 -1.575 1.00 0.00 C ATOM 583 CG LEU A 35 -11.532 3.033 -2.528 1.00 0.00 C ATOM 584 CD1 LEU A 35 -10.627 2.316 -3.530 1.00 0.00 C ATOM 585 CD2 LEU A 35 -12.653 3.752 -3.278 1.00 0.00 C ATOM 0 H LEU A 35 -14.411 1.309 -0.914 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.067 1.310 -3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.806 2.501 -0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.353 1.529 -0.990 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.948 3.760 -1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.191 3.045 -4.213 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.831 1.798 -2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.213 1.593 -4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.223 4.486 -3.960 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -13.234 3.026 -3.846 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.303 4.258 -2.564 1.00 0.00 H new ATOM 597 N ILE A 36 -12.106 -1.089 -1.351 1.00 0.00 N ATOM 598 CA ILE A 36 -11.332 -2.363 -1.323 1.00 0.00 C ATOM 599 C ILE A 36 -12.122 -3.485 -2.006 1.00 0.00 C ATOM 600 O ILE A 36 -11.604 -4.217 -2.825 1.00 0.00 O ATOM 601 CB ILE A 36 -11.052 -2.764 0.129 1.00 0.00 C ATOM 602 CG1 ILE A 36 -11.063 -1.517 1.029 1.00 0.00 C ATOM 603 CG2 ILE A 36 -9.685 -3.449 0.208 1.00 0.00 C ATOM 604 CD1 ILE A 36 -10.333 -1.812 2.343 1.00 0.00 C ATOM 0 H ILE A 36 -12.610 -0.869 -0.492 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.393 -2.210 -1.856 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.825 -3.452 0.471 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.583 -0.684 0.516 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -12.090 -1.216 1.234 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.481 -3.736 1.239 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.686 -4.338 -0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.913 -2.761 -0.136 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.346 -0.923 2.974 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.832 -2.631 2.860 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.301 -2.092 2.131 1.00 0.00 H new ATOM 616 N ASN A 37 -13.365 -3.648 -1.653 1.00 0.00 N ATOM 617 CA ASN A 37 -14.175 -4.746 -2.254 1.00 0.00 C ATOM 618 C ASN A 37 -14.634 -4.390 -3.671 1.00 0.00 C ATOM 619 O ASN A 37 -15.318 -5.162 -4.315 1.00 0.00 O ATOM 620 CB ASN A 37 -15.402 -4.995 -1.380 1.00 0.00 C ATOM 621 CG ASN A 37 -16.064 -6.313 -1.787 1.00 0.00 C ATOM 622 OD1 ASN A 37 -15.667 -6.932 -2.755 1.00 0.00 O ATOM 623 ND2 ASN A 37 -17.065 -6.769 -1.086 1.00 0.00 N ATOM 0 H ASN A 37 -13.857 -3.068 -0.973 1.00 0.00 H new ATOM 0 HA ASN A 37 -13.554 -5.640 -2.310 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.112 -5.031 -0.330 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.110 -4.173 -1.487 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -17.515 -7.645 -1.350 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.398 -6.249 -0.274 1.00 0.00 H new ATOM 630 N ASN A 38 -14.279 -3.241 -4.169 1.00 0.00 N ATOM 631 CA ASN A 38 -14.722 -2.877 -5.546 1.00 0.00 C ATOM 632 C ASN A 38 -13.517 -2.802 -6.486 1.00 0.00 C ATOM 633 O ASN A 38 -13.326 -3.654 -7.332 1.00 0.00 O ATOM 634 CB ASN A 38 -15.434 -1.523 -5.518 1.00 0.00 C ATOM 635 CG ASN A 38 -16.274 -1.365 -6.787 1.00 0.00 C ATOM 636 OD1 ASN A 38 -17.337 -1.941 -6.902 1.00 0.00 O ATOM 637 ND2 ASN A 38 -15.838 -0.606 -7.754 1.00 0.00 N ATOM 0 H ASN A 38 -13.708 -2.544 -3.691 1.00 0.00 H new ATOM 0 HA ASN A 38 -15.409 -3.642 -5.909 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.071 -1.452 -4.636 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -14.704 -0.717 -5.449 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -16.390 -0.497 -8.605 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -14.945 -0.121 -7.659 1.00 0.00 H new ATOM 644 N GLU A 39 -12.708 -1.787 -6.357 1.00 0.00 N ATOM 645 CA GLU A 39 -11.526 -1.660 -7.256 1.00 0.00 C ATOM 646 C GLU A 39 -10.355 -2.468 -6.692 1.00 0.00 C ATOM 647 O GLU A 39 -9.229 -2.338 -7.129 1.00 0.00 O ATOM 648 CB GLU A 39 -11.133 -0.186 -7.364 1.00 0.00 C ATOM 649 CG GLU A 39 -12.229 0.575 -8.112 1.00 0.00 C ATOM 650 CD GLU A 39 -11.760 2.002 -8.394 1.00 0.00 C ATOM 651 OE1 GLU A 39 -10.921 2.487 -7.654 1.00 0.00 O ATOM 652 OE2 GLU A 39 -12.249 2.587 -9.347 1.00 0.00 O ATOM 0 H GLU A 39 -12.814 -1.041 -5.669 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.777 -2.045 -8.244 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.993 0.239 -6.370 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.183 -0.088 -7.889 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.465 0.067 -9.047 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -13.143 0.592 -7.519 1.00 0.00 H new ATOM 659 N LEU A 40 -10.614 -3.302 -5.726 1.00 0.00 N ATOM 660 CA LEU A 40 -9.520 -4.124 -5.132 1.00 0.00 C ATOM 661 C LEU A 40 -9.942 -5.595 -5.119 1.00 0.00 C ATOM 662 O LEU A 40 -9.124 -6.482 -5.252 1.00 0.00 O ATOM 663 CB LEU A 40 -9.254 -3.648 -3.699 1.00 0.00 C ATOM 664 CG LEU A 40 -7.766 -3.343 -3.490 1.00 0.00 C ATOM 665 CD1 LEU A 40 -7.001 -4.651 -3.301 1.00 0.00 C ATOM 666 CD2 LEU A 40 -7.202 -2.594 -4.699 1.00 0.00 C ATOM 0 H LEU A 40 -11.538 -3.452 -5.320 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.612 -4.016 -5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.845 -2.755 -3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.575 -4.413 -2.992 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.655 -2.718 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.943 -4.435 -3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.390 -5.177 -2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.123 -5.275 -4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.145 -2.384 -4.536 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.317 -3.207 -5.593 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.742 -1.656 -4.830 1.00 0.00 H new ATOM 678 N SER A 41 -11.211 -5.859 -4.962 1.00 0.00 N ATOM 679 CA SER A 41 -11.688 -7.273 -4.947 1.00 0.00 C ATOM 680 C SER A 41 -11.606 -7.860 -6.360 1.00 0.00 C ATOM 681 O SER A 41 -12.585 -7.917 -7.076 1.00 0.00 O ATOM 682 CB SER A 41 -13.140 -7.315 -4.469 1.00 0.00 C ATOM 683 OG SER A 41 -13.299 -8.381 -3.543 1.00 0.00 O ATOM 0 H SER A 41 -11.940 -5.155 -4.843 1.00 0.00 H new ATOM 0 HA SER A 41 -11.061 -7.857 -4.273 1.00 0.00 H new ATOM 0 HB2 SER A 41 -13.408 -6.368 -4.001 1.00 0.00 H new ATOM 0 HB3 SER A 41 -13.810 -7.452 -5.317 1.00 0.00 H new ATOM 0 HG SER A 41 -14.108 -8.233 -3.010 1.00 0.00 H new ATOM 689 N HIS A 42 -10.447 -8.301 -6.765 1.00 0.00 N ATOM 690 CA HIS A 42 -10.304 -8.887 -8.128 1.00 0.00 C ATOM 691 C HIS A 42 -9.709 -10.293 -8.014 1.00 0.00 C ATOM 692 O HIS A 42 -9.707 -11.058 -8.959 1.00 0.00 O ATOM 693 CB HIS A 42 -9.379 -8.004 -8.967 1.00 0.00 C ATOM 694 CG HIS A 42 -9.527 -8.352 -10.423 1.00 0.00 C ATOM 695 ND1 HIS A 42 -8.436 -8.629 -11.233 1.00 0.00 N ATOM 696 CD2 HIS A 42 -10.631 -8.468 -11.232 1.00 0.00 C ATOM 697 CE1 HIS A 42 -8.903 -8.894 -12.467 1.00 0.00 C ATOM 698 NE2 HIS A 42 -10.234 -8.810 -12.521 1.00 0.00 N ATOM 0 H HIS A 42 -9.591 -8.281 -6.210 1.00 0.00 H new ATOM 0 HA HIS A 42 -11.281 -8.944 -8.607 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -9.621 -6.953 -8.808 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -8.344 -8.144 -8.653 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -11.652 -8.317 -10.916 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -8.277 -9.144 -13.311 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -10.832 -8.964 -13.333 1.00 0.00 H new ATOM 706 N PHE A 43 -9.205 -10.640 -6.861 1.00 0.00 N ATOM 707 CA PHE A 43 -8.612 -11.994 -6.679 1.00 0.00 C ATOM 708 C PHE A 43 -9.034 -12.545 -5.316 1.00 0.00 C ATOM 709 O PHE A 43 -8.340 -13.339 -4.713 1.00 0.00 O ATOM 710 CB PHE A 43 -7.087 -11.892 -6.737 1.00 0.00 C ATOM 711 CG PHE A 43 -6.637 -10.687 -5.947 1.00 0.00 C ATOM 712 CD1 PHE A 43 -6.705 -9.411 -6.518 1.00 0.00 C ATOM 713 CD2 PHE A 43 -6.155 -10.845 -4.642 1.00 0.00 C ATOM 714 CE1 PHE A 43 -6.291 -8.292 -5.784 1.00 0.00 C ATOM 715 CE2 PHE A 43 -5.741 -9.726 -3.908 1.00 0.00 C ATOM 716 CZ PHE A 43 -5.810 -8.450 -4.479 1.00 0.00 C ATOM 0 H PHE A 43 -9.179 -10.042 -6.035 1.00 0.00 H new ATOM 0 HA PHE A 43 -8.961 -12.659 -7.469 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -6.635 -12.797 -6.331 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.756 -11.807 -7.772 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.077 -9.289 -7.525 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.102 -11.830 -4.201 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.343 -7.307 -6.225 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.369 -9.848 -2.902 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.492 -7.587 -3.913 1.00 0.00 H new ATOM 726 N LEU A 44 -10.168 -12.124 -4.825 1.00 0.00 N ATOM 727 CA LEU A 44 -10.638 -12.616 -3.499 1.00 0.00 C ATOM 728 C LEU A 44 -11.666 -13.731 -3.702 1.00 0.00 C ATOM 729 O LEU A 44 -12.445 -13.708 -4.633 1.00 0.00 O ATOM 730 CB LEU A 44 -11.286 -11.459 -2.733 1.00 0.00 C ATOM 731 CG LEU A 44 -11.405 -11.825 -1.254 1.00 0.00 C ATOM 732 CD1 LEU A 44 -10.884 -10.668 -0.400 1.00 0.00 C ATOM 733 CD2 LEU A 44 -12.874 -12.087 -0.912 1.00 0.00 C ATOM 0 H LEU A 44 -10.790 -11.460 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.792 -13.004 -2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.689 -10.554 -2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.272 -11.244 -3.145 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.817 -12.721 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.968 -10.928 0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.839 -10.477 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.473 -9.773 -0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.961 -12.348 0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.460 -11.190 -1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.248 -12.909 -1.522 1.00 0.00 H new ATOM 745 N GLU A 45 -11.674 -14.707 -2.836 1.00 0.00 N ATOM 746 CA GLU A 45 -12.655 -15.819 -2.978 1.00 0.00 C ATOM 747 C GLU A 45 -12.619 -16.704 -1.730 1.00 0.00 C ATOM 748 O GLU A 45 -13.625 -17.243 -1.313 1.00 0.00 O ATOM 749 CB GLU A 45 -12.308 -16.658 -4.213 1.00 0.00 C ATOM 750 CG GLU A 45 -10.803 -16.933 -4.247 1.00 0.00 C ATOM 751 CD GLU A 45 -10.556 -18.364 -4.730 1.00 0.00 C ATOM 752 OE1 GLU A 45 -10.842 -19.280 -3.977 1.00 0.00 O ATOM 753 OE2 GLU A 45 -10.085 -18.519 -5.844 1.00 0.00 O ATOM 0 H GLU A 45 -11.044 -14.782 -2.037 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.655 -15.402 -3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.858 -17.599 -4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.611 -16.132 -5.118 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.308 -16.224 -4.910 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.375 -16.794 -3.254 1.00 0.00 H new ATOM 760 N GLU A 46 -11.474 -16.857 -1.128 1.00 0.00 N ATOM 761 CA GLU A 46 -11.382 -17.702 0.090 1.00 0.00 C ATOM 762 C GLU A 46 -10.748 -16.875 1.216 1.00 0.00 C ATOM 763 O GLU A 46 -11.122 -16.983 2.366 1.00 0.00 O ATOM 764 CB GLU A 46 -10.535 -18.950 -0.239 1.00 0.00 C ATOM 765 CG GLU A 46 -9.632 -19.330 0.939 1.00 0.00 C ATOM 766 CD GLU A 46 -9.452 -20.848 0.977 1.00 0.00 C ATOM 767 OE1 GLU A 46 -9.921 -21.505 0.062 1.00 0.00 O ATOM 768 OE2 GLU A 46 -8.849 -21.330 1.921 1.00 0.00 O ATOM 0 H GLU A 46 -10.597 -16.432 -1.429 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.368 -18.030 0.418 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.192 -19.785 -0.482 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.925 -18.757 -1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.663 -18.841 0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.071 -18.982 1.874 1.00 0.00 H new ATOM 775 N ILE A 47 -9.791 -16.049 0.892 1.00 0.00 N ATOM 776 CA ILE A 47 -9.138 -15.218 1.942 1.00 0.00 C ATOM 777 C ILE A 47 -8.416 -16.129 2.935 1.00 0.00 C ATOM 778 O ILE A 47 -9.033 -16.868 3.675 1.00 0.00 O ATOM 779 CB ILE A 47 -10.197 -14.400 2.683 1.00 0.00 C ATOM 780 CG1 ILE A 47 -10.984 -13.553 1.681 1.00 0.00 C ATOM 781 CG2 ILE A 47 -9.512 -13.483 3.699 1.00 0.00 C ATOM 782 CD1 ILE A 47 -12.224 -12.971 2.362 1.00 0.00 C ATOM 0 H ILE A 47 -9.434 -15.914 -0.054 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.421 -14.544 1.474 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.879 -15.074 3.201 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.356 -12.749 1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.278 -14.162 0.827 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -10.265 -12.899 4.228 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.952 -14.086 4.414 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.830 -12.810 3.180 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.783 -12.368 1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.855 -13.783 2.724 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.919 -12.347 3.202 1.00 0.00 H new ATOM 794 N LYS A 48 -7.113 -16.083 2.959 1.00 0.00 N ATOM 795 CA LYS A 48 -6.358 -16.948 3.908 1.00 0.00 C ATOM 796 C LYS A 48 -6.161 -16.204 5.230 1.00 0.00 C ATOM 797 O LYS A 48 -6.351 -16.753 6.296 1.00 0.00 O ATOM 798 CB LYS A 48 -4.992 -17.296 3.311 1.00 0.00 C ATOM 799 CG LYS A 48 -4.209 -18.159 4.301 1.00 0.00 C ATOM 800 CD LYS A 48 -5.029 -19.398 4.664 1.00 0.00 C ATOM 801 CE LYS A 48 -4.216 -20.288 5.605 1.00 0.00 C ATOM 802 NZ LYS A 48 -3.006 -20.788 4.892 1.00 0.00 N ATOM 0 H LYS A 48 -6.539 -15.485 2.364 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.920 -17.865 4.086 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.120 -17.829 2.369 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.437 -16.384 3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.256 -18.457 3.864 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.982 -17.585 5.199 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.963 -19.102 5.142 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.293 -19.950 3.762 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.923 -19.726 6.492 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.823 -21.127 5.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.907 -21.811 5.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.103 -20.604 3.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.163 -20.298 5.254 1.00 0.00 H new ATOM 816 N GLU A 49 -5.784 -14.955 5.173 1.00 0.00 N ATOM 817 CA GLU A 49 -5.579 -14.183 6.431 1.00 0.00 C ATOM 818 C GLU A 49 -6.935 -13.725 6.970 1.00 0.00 C ATOM 819 O GLU A 49 -7.318 -12.581 6.826 1.00 0.00 O ATOM 820 CB GLU A 49 -4.704 -12.960 6.151 1.00 0.00 C ATOM 821 CG GLU A 49 -3.242 -13.302 6.440 1.00 0.00 C ATOM 822 CD GLU A 49 -3.044 -13.452 7.950 1.00 0.00 C ATOM 823 OE1 GLU A 49 -3.818 -12.866 8.689 1.00 0.00 O ATOM 824 OE2 GLU A 49 -2.123 -14.150 8.340 1.00 0.00 O ATOM 0 H GLU A 49 -5.610 -14.437 4.312 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.085 -14.817 7.168 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.817 -12.649 5.113 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.022 -12.122 6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.966 -14.226 5.932 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.590 -12.519 6.053 1.00 0.00 H new ATOM 831 N GLN A 50 -7.664 -14.609 7.590 1.00 0.00 N ATOM 832 CA GLN A 50 -8.994 -14.226 8.138 1.00 0.00 C ATOM 833 C GLN A 50 -8.819 -13.118 9.179 1.00 0.00 C ATOM 834 O GLN A 50 -9.734 -12.375 9.467 1.00 0.00 O ATOM 835 CB GLN A 50 -9.644 -15.444 8.797 1.00 0.00 C ATOM 836 CG GLN A 50 -11.032 -15.063 9.316 1.00 0.00 C ATOM 837 CD GLN A 50 -11.387 -15.937 10.520 1.00 0.00 C ATOM 838 OE1 GLN A 50 -11.491 -15.450 11.629 1.00 0.00 O ATOM 839 NE2 GLN A 50 -11.579 -17.216 10.349 1.00 0.00 N ATOM 0 H GLN A 50 -7.396 -15.581 7.741 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.629 -13.867 7.328 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.724 -16.260 8.079 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.023 -15.802 9.618 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.049 -14.011 9.600 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.774 -15.193 8.528 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.492 -17.625 9.419 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -11.816 -17.807 11.146 1.00 0.00 H new ATOM 848 N GLU A 51 -7.651 -13.006 9.749 1.00 0.00 N ATOM 849 CA GLU A 51 -7.421 -11.950 10.779 1.00 0.00 C ATOM 850 C GLU A 51 -7.164 -10.603 10.098 1.00 0.00 C ATOM 851 O GLU A 51 -7.568 -9.565 10.586 1.00 0.00 O ATOM 852 CB GLU A 51 -6.207 -12.329 11.631 1.00 0.00 C ATOM 853 CG GLU A 51 -6.677 -13.037 12.903 1.00 0.00 C ATOM 854 CD GLU A 51 -5.715 -12.722 14.050 1.00 0.00 C ATOM 855 OE1 GLU A 51 -4.556 -12.465 13.771 1.00 0.00 O ATOM 856 OE2 GLU A 51 -6.154 -12.744 15.188 1.00 0.00 O ATOM 0 H GLU A 51 -6.846 -13.599 9.547 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.305 -11.868 11.412 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.541 -12.980 11.065 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.637 -11.436 11.888 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.685 -12.712 13.161 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.721 -14.113 12.737 1.00 0.00 H new ATOM 863 N VAL A 52 -6.489 -10.607 8.980 1.00 0.00 N ATOM 864 CA VAL A 52 -6.203 -9.322 8.281 1.00 0.00 C ATOM 865 C VAL A 52 -7.482 -8.786 7.637 1.00 0.00 C ATOM 866 O VAL A 52 -7.782 -7.611 7.716 1.00 0.00 O ATOM 867 CB VAL A 52 -5.143 -9.557 7.202 1.00 0.00 C ATOM 868 CG1 VAL A 52 -4.926 -8.272 6.404 1.00 0.00 C ATOM 869 CG2 VAL A 52 -3.829 -9.971 7.866 1.00 0.00 C ATOM 0 H VAL A 52 -6.124 -11.442 8.522 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.834 -8.592 9.002 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.480 -10.346 6.529 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.171 -8.443 5.637 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.862 -7.975 5.932 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.590 -7.480 7.074 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.072 -10.139 7.100 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.496 -9.180 8.538 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.982 -10.889 8.433 1.00 0.00 H new ATOM 879 N VAL A 53 -8.239 -9.633 7.000 1.00 0.00 N ATOM 880 CA VAL A 53 -9.496 -9.159 6.358 1.00 0.00 C ATOM 881 C VAL A 53 -10.564 -8.967 7.431 1.00 0.00 C ATOM 882 O VAL A 53 -11.476 -8.180 7.280 1.00 0.00 O ATOM 883 CB VAL A 53 -9.973 -10.193 5.339 1.00 0.00 C ATOM 884 CG1 VAL A 53 -11.214 -9.664 4.617 1.00 0.00 C ATOM 885 CG2 VAL A 53 -8.863 -10.456 4.318 1.00 0.00 C ATOM 0 H VAL A 53 -8.044 -10.629 6.896 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.313 -8.213 5.849 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.220 -11.121 5.854 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.554 -10.402 3.890 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -12.006 -9.478 5.343 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.968 -8.735 4.103 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.204 -11.194 3.592 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.615 -9.528 3.803 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.979 -10.834 4.831 1.00 0.00 H new ATOM 895 N ASP A 54 -10.459 -9.682 8.515 1.00 0.00 N ATOM 896 CA ASP A 54 -11.466 -9.539 9.600 1.00 0.00 C ATOM 897 C ASP A 54 -11.179 -8.267 10.399 1.00 0.00 C ATOM 898 O ASP A 54 -12.069 -7.677 10.975 1.00 0.00 O ATOM 899 CB ASP A 54 -11.393 -10.750 10.530 1.00 0.00 C ATOM 900 CG ASP A 54 -12.317 -10.528 11.730 1.00 0.00 C ATOM 901 OD1 ASP A 54 -13.459 -10.158 11.512 1.00 0.00 O ATOM 902 OD2 ASP A 54 -11.867 -10.733 12.844 1.00 0.00 O ATOM 0 H ASP A 54 -9.718 -10.360 8.696 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.462 -9.477 9.162 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.686 -11.652 9.993 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.368 -10.900 10.869 1.00 0.00 H new ATOM 907 N LYS A 55 -9.944 -7.839 10.447 1.00 0.00 N ATOM 908 CA LYS A 55 -9.622 -6.605 11.220 1.00 0.00 C ATOM 909 C LYS A 55 -9.968 -5.368 10.388 1.00 0.00 C ATOM 910 O LYS A 55 -10.562 -4.431 10.882 1.00 0.00 O ATOM 911 CB LYS A 55 -8.134 -6.587 11.579 1.00 0.00 C ATOM 912 CG LYS A 55 -7.293 -6.658 10.304 1.00 0.00 C ATOM 913 CD LYS A 55 -5.809 -6.587 10.667 1.00 0.00 C ATOM 914 CE LYS A 55 -5.411 -7.839 11.449 1.00 0.00 C ATOM 915 NZ LYS A 55 -4.625 -7.442 12.652 1.00 0.00 N ATOM 0 H LYS A 55 -9.151 -8.287 9.988 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.210 -6.597 12.138 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.895 -5.679 12.133 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.897 -7.429 12.229 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.503 -7.584 9.768 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.555 -5.837 9.637 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.207 -6.504 9.762 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.612 -5.696 11.263 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.301 -8.392 11.749 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.820 -8.503 10.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.353 -8.292 13.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.769 -6.932 12.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.204 -6.824 13.257 1.00 0.00 H new ATOM 929 N VAL A 56 -9.612 -5.351 9.131 1.00 0.00 N ATOM 930 CA VAL A 56 -9.939 -4.170 8.292 1.00 0.00 C ATOM 931 C VAL A 56 -11.432 -4.191 7.984 1.00 0.00 C ATOM 932 O VAL A 56 -12.119 -3.198 8.107 1.00 0.00 O ATOM 933 CB VAL A 56 -9.142 -4.235 6.992 1.00 0.00 C ATOM 934 CG1 VAL A 56 -7.647 -4.183 7.305 1.00 0.00 C ATOM 935 CG2 VAL A 56 -9.466 -5.535 6.251 1.00 0.00 C ATOM 0 H VAL A 56 -9.112 -6.101 8.654 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.683 -3.251 8.820 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.411 -3.386 6.363 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.079 -4.230 6.376 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.416 -3.253 7.825 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.378 -5.029 7.937 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.895 -5.577 5.324 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.203 -6.387 6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.531 -5.568 6.023 1.00 0.00 H new ATOM 945 N MET A 57 -11.936 -5.325 7.598 1.00 0.00 N ATOM 946 CA MET A 57 -13.387 -5.438 7.296 1.00 0.00 C ATOM 947 C MET A 57 -14.177 -5.155 8.573 1.00 0.00 C ATOM 948 O MET A 57 -15.315 -4.739 8.530 1.00 0.00 O ATOM 949 CB MET A 57 -13.687 -6.857 6.813 1.00 0.00 C ATOM 950 CG MET A 57 -15.168 -6.980 6.462 1.00 0.00 C ATOM 951 SD MET A 57 -15.350 -7.202 4.674 1.00 0.00 S ATOM 952 CE MET A 57 -14.203 -5.899 4.161 1.00 0.00 C ATOM 0 H MET A 57 -11.402 -6.186 7.478 1.00 0.00 H new ATOM 0 HA MET A 57 -13.668 -4.724 6.522 1.00 0.00 H new ATOM 0 HB2 MET A 57 -13.076 -7.091 5.941 1.00 0.00 H new ATOM 0 HB3 MET A 57 -13.426 -7.578 7.588 1.00 0.00 H new ATOM 0 HG2 MET A 57 -15.609 -7.825 6.991 1.00 0.00 H new ATOM 0 HG3 MET A 57 -15.704 -6.088 6.785 1.00 0.00 H new ATOM 0 HE1 MET A 57 -14.354 -5.676 3.105 1.00 0.00 H new ATOM 0 HE2 MET A 57 -14.385 -5.001 4.751 1.00 0.00 H new ATOM 0 HE3 MET A 57 -13.178 -6.234 4.318 1.00 0.00 H new ATOM 962 N GLU A 58 -13.576 -5.372 9.713 1.00 0.00 N ATOM 963 CA GLU A 58 -14.297 -5.102 10.992 1.00 0.00 C ATOM 964 C GLU A 58 -14.353 -3.594 11.218 1.00 0.00 C ATOM 965 O GLU A 58 -15.412 -3.018 11.356 1.00 0.00 O ATOM 966 CB GLU A 58 -13.562 -5.762 12.160 1.00 0.00 C ATOM 967 CG GLU A 58 -14.178 -7.134 12.441 1.00 0.00 C ATOM 968 CD GLU A 58 -13.451 -7.791 13.617 1.00 0.00 C ATOM 969 OE1 GLU A 58 -12.310 -7.433 13.856 1.00 0.00 O ATOM 970 OE2 GLU A 58 -14.048 -8.638 14.257 1.00 0.00 O ATOM 0 H GLU A 58 -12.623 -5.722 9.814 1.00 0.00 H new ATOM 0 HA GLU A 58 -15.306 -5.511 10.932 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.503 -5.868 11.924 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -13.629 -5.133 13.048 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -15.239 -7.028 12.669 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -14.104 -7.766 11.556 1.00 0.00 H new ATOM 977 N THR A 59 -13.221 -2.942 11.245 1.00 0.00 N ATOM 978 CA THR A 59 -13.225 -1.467 11.443 1.00 0.00 C ATOM 979 C THR A 59 -14.091 -0.846 10.352 1.00 0.00 C ATOM 980 O THR A 59 -14.660 0.217 10.511 1.00 0.00 O ATOM 981 CB THR A 59 -11.795 -0.933 11.333 1.00 0.00 C ATOM 982 OG1 THR A 59 -10.886 -1.916 11.808 1.00 0.00 O ATOM 983 CG2 THR A 59 -11.657 0.340 12.169 1.00 0.00 C ATOM 0 H THR A 59 -12.299 -3.366 11.139 1.00 0.00 H new ATOM 0 HA THR A 59 -13.620 -1.216 12.427 1.00 0.00 H new ATOM 0 HB THR A 59 -11.572 -0.705 10.291 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.691 -2.555 11.091 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.638 0.719 12.089 1.00 0.00 H new ATOM 0 HG22 THR A 59 -12.354 1.094 11.802 1.00 0.00 H new ATOM 0 HG23 THR A 59 -11.881 0.116 13.212 1.00 0.00 H new ATOM 991 N LEU A 60 -14.194 -1.523 9.243 1.00 0.00 N ATOM 992 CA LEU A 60 -15.017 -1.018 8.115 1.00 0.00 C ATOM 993 C LEU A 60 -16.495 -1.068 8.508 1.00 0.00 C ATOM 994 O LEU A 60 -17.189 -0.071 8.491 1.00 0.00 O ATOM 995 CB LEU A 60 -14.769 -1.915 6.897 1.00 0.00 C ATOM 996 CG LEU A 60 -13.644 -1.323 6.052 1.00 0.00 C ATOM 997 CD1 LEU A 60 -13.276 -2.300 4.932 1.00 0.00 C ATOM 998 CD2 LEU A 60 -14.107 0.002 5.441 1.00 0.00 C ATOM 0 H LEU A 60 -13.735 -2.417 9.070 1.00 0.00 H new ATOM 0 HA LEU A 60 -14.749 0.011 7.877 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -14.504 -2.922 7.221 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.679 -2.000 6.303 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.772 -1.148 6.682 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.473 -1.877 4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.945 -3.243 5.366 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.148 -2.477 4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.304 0.425 4.838 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.980 -0.173 4.812 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.368 0.699 6.238 1.00 0.00 H new ATOM 1010 N ASP A 61 -16.976 -2.225 8.866 1.00 0.00 N ATOM 1011 CA ASP A 61 -18.404 -2.359 9.267 1.00 0.00 C ATOM 1012 C ASP A 61 -18.579 -1.907 10.720 1.00 0.00 C ATOM 1013 O ASP A 61 -19.660 -1.967 11.271 1.00 0.00 O ATOM 1014 CB ASP A 61 -18.823 -3.824 9.139 1.00 0.00 C ATOM 1015 CG ASP A 61 -20.187 -3.905 8.452 1.00 0.00 C ATOM 1016 OD1 ASP A 61 -20.342 -3.287 7.412 1.00 0.00 O ATOM 1017 OD2 ASP A 61 -21.053 -4.584 8.978 1.00 0.00 O ATOM 0 H ASP A 61 -16.437 -3.090 8.898 1.00 0.00 H new ATOM 0 HA ASP A 61 -19.023 -1.737 8.621 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -18.080 -4.377 8.564 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -18.872 -4.287 10.125 1.00 0.00 H new ATOM 1022 N GLU A 62 -17.525 -1.466 11.348 1.00 0.00 N ATOM 1023 CA GLU A 62 -17.633 -1.022 12.765 1.00 0.00 C ATOM 1024 C GLU A 62 -18.197 0.396 12.821 1.00 0.00 C ATOM 1025 O GLU A 62 -19.148 0.671 13.526 1.00 0.00 O ATOM 1026 CB GLU A 62 -16.246 -1.049 13.412 1.00 0.00 C ATOM 1027 CG GLU A 62 -16.372 -0.750 14.908 1.00 0.00 C ATOM 1028 CD GLU A 62 -15.065 -1.117 15.613 1.00 0.00 C ATOM 1029 OE1 GLU A 62 -14.153 -0.307 15.587 1.00 0.00 O ATOM 1030 OE2 GLU A 62 -14.999 -2.200 16.167 1.00 0.00 O ATOM 0 H GLU A 62 -16.593 -1.394 10.941 1.00 0.00 H new ATOM 0 HA GLU A 62 -18.301 -1.694 13.305 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.783 -2.025 13.263 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.597 -0.313 12.937 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.596 0.306 15.061 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.199 -1.317 15.335 1.00 0.00 H new ATOM 1037 N ASP A 63 -17.617 1.298 12.087 1.00 0.00 N ATOM 1038 CA ASP A 63 -18.118 2.701 12.098 1.00 0.00 C ATOM 1039 C ASP A 63 -19.133 2.892 10.971 1.00 0.00 C ATOM 1040 O ASP A 63 -20.279 3.218 11.202 1.00 0.00 O ATOM 1041 CB ASP A 63 -16.945 3.664 11.903 1.00 0.00 C ATOM 1042 CG ASP A 63 -16.760 4.505 13.167 1.00 0.00 C ATOM 1043 OD1 ASP A 63 -16.636 3.920 14.230 1.00 0.00 O ATOM 1044 OD2 ASP A 63 -16.742 5.720 13.052 1.00 0.00 O ATOM 0 H ASP A 63 -16.817 1.127 11.478 1.00 0.00 H new ATOM 0 HA ASP A 63 -18.599 2.907 13.054 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -16.034 3.105 11.688 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -17.131 4.312 11.046 1.00 0.00 H new ATOM 1049 N GLY A 64 -18.717 2.690 9.754 1.00 0.00 N ATOM 1050 CA GLY A 64 -19.654 2.859 8.607 1.00 0.00 C ATOM 1051 C GLY A 64 -19.672 4.326 8.176 1.00 0.00 C ATOM 1052 O GLY A 64 -19.467 4.646 7.023 1.00 0.00 O ATOM 0 H GLY A 64 -17.768 2.415 9.502 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.344 2.228 7.774 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.657 2.540 8.892 1.00 0.00 H new ATOM 1056 N ASP A 65 -19.911 5.223 9.095 1.00 0.00 N ATOM 1057 CA ASP A 65 -19.937 6.667 8.733 1.00 0.00 C ATOM 1058 C ASP A 65 -18.697 7.357 9.304 1.00 0.00 C ATOM 1059 O ASP A 65 -18.731 8.514 9.672 1.00 0.00 O ATOM 1060 CB ASP A 65 -21.195 7.320 9.311 1.00 0.00 C ATOM 1061 CG ASP A 65 -21.478 8.624 8.564 1.00 0.00 C ATOM 1062 OD1 ASP A 65 -21.962 8.548 7.446 1.00 0.00 O ATOM 1063 OD2 ASP A 65 -21.204 9.674 9.120 1.00 0.00 O ATOM 0 H ASP A 65 -20.089 5.018 10.078 1.00 0.00 H new ATOM 0 HA ASP A 65 -19.944 6.768 7.648 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -22.045 6.643 9.219 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -21.059 7.519 10.374 1.00 0.00 H new ATOM 1068 N GLY A 66 -17.599 6.654 9.379 1.00 0.00 N ATOM 1069 CA GLY A 66 -16.357 7.266 9.925 1.00 0.00 C ATOM 1070 C GLY A 66 -15.563 7.911 8.789 1.00 0.00 C ATOM 1071 O GLY A 66 -15.969 7.886 7.644 1.00 0.00 O ATOM 0 H GLY A 66 -17.510 5.681 9.085 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.608 8.014 10.677 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.752 6.506 10.420 1.00 0.00 H new ATOM 1075 N GLU A 67 -14.434 8.490 9.093 1.00 0.00 N ATOM 1076 CA GLU A 67 -13.620 9.137 8.027 1.00 0.00 C ATOM 1077 C GLU A 67 -12.221 8.517 8.002 1.00 0.00 C ATOM 1078 O GLU A 67 -11.559 8.414 9.015 1.00 0.00 O ATOM 1079 CB GLU A 67 -13.510 10.637 8.308 1.00 0.00 C ATOM 1080 CG GLU A 67 -13.380 10.870 9.815 1.00 0.00 C ATOM 1081 CD GLU A 67 -12.528 12.113 10.070 1.00 0.00 C ATOM 1082 OE1 GLU A 67 -12.297 12.852 9.128 1.00 0.00 O ATOM 1083 OE2 GLU A 67 -12.119 12.305 11.203 1.00 0.00 O ATOM 0 H GLU A 67 -14.041 8.543 10.033 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.101 8.983 7.061 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.645 11.052 7.790 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.389 11.154 7.925 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.367 10.996 10.260 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.925 10.001 10.290 1.00 0.00 H new ATOM 1090 N CYS A 68 -11.765 8.106 6.849 1.00 0.00 N ATOM 1091 CA CYS A 68 -10.409 7.498 6.755 1.00 0.00 C ATOM 1092 C CYS A 68 -9.409 8.564 6.311 1.00 0.00 C ATOM 1093 O CYS A 68 -9.760 9.520 5.649 1.00 0.00 O ATOM 1094 CB CYS A 68 -10.429 6.359 5.731 1.00 0.00 C ATOM 1095 SG CYS A 68 -10.746 4.792 6.580 1.00 0.00 S ATOM 0 H CYS A 68 -12.275 8.166 5.968 1.00 0.00 H new ATOM 0 HA CYS A 68 -10.117 7.104 7.728 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -11.200 6.542 4.982 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -9.476 6.313 5.203 1.00 0.00 H new ATOM 0 HG CYS A 68 -9.741 3.988 6.397 1.00 0.00 H new ATOM 1101 N ASP A 69 -8.167 8.410 6.671 1.00 0.00 N ATOM 1102 CA ASP A 69 -7.151 9.419 6.266 1.00 0.00 C ATOM 1103 C ASP A 69 -6.552 9.018 4.918 1.00 0.00 C ATOM 1104 O ASP A 69 -7.110 8.219 4.192 1.00 0.00 O ATOM 1105 CB ASP A 69 -6.049 9.483 7.326 1.00 0.00 C ATOM 1106 CG ASP A 69 -6.658 9.892 8.669 1.00 0.00 C ATOM 1107 OD1 ASP A 69 -7.781 10.370 8.666 1.00 0.00 O ATOM 1108 OD2 ASP A 69 -5.993 9.722 9.676 1.00 0.00 O ATOM 0 H ASP A 69 -7.812 7.632 7.226 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.619 10.399 6.176 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.560 8.513 7.416 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.284 10.200 7.028 1.00 0.00 H new ATOM 1113 N PHE A 70 -5.416 9.559 4.576 1.00 0.00 N ATOM 1114 CA PHE A 70 -4.789 9.196 3.271 1.00 0.00 C ATOM 1115 C PHE A 70 -3.838 8.020 3.483 1.00 0.00 C ATOM 1116 O PHE A 70 -3.829 7.070 2.726 1.00 0.00 O ATOM 1117 CB PHE A 70 -4.011 10.383 2.679 1.00 0.00 C ATOM 1118 CG PHE A 70 -3.754 11.439 3.732 1.00 0.00 C ATOM 1119 CD1 PHE A 70 -4.726 12.412 4.001 1.00 0.00 C ATOM 1120 CD2 PHE A 70 -2.544 11.449 4.433 1.00 0.00 C ATOM 1121 CE1 PHE A 70 -4.487 13.393 4.972 1.00 0.00 C ATOM 1122 CE2 PHE A 70 -2.304 12.430 5.405 1.00 0.00 C ATOM 1123 CZ PHE A 70 -3.276 13.401 5.673 1.00 0.00 C ATOM 0 H PHE A 70 -4.896 10.233 5.138 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.579 8.923 2.571 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.063 10.034 2.269 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.575 10.817 1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.660 12.406 3.459 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.794 10.700 4.225 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.237 14.142 5.179 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.370 12.437 5.947 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.091 14.157 6.422 1.00 0.00 H new ATOM 1133 N GLN A 71 -3.040 8.072 4.512 1.00 0.00 N ATOM 1134 CA GLN A 71 -2.098 6.953 4.777 1.00 0.00 C ATOM 1135 C GLN A 71 -2.876 5.775 5.358 1.00 0.00 C ATOM 1136 O GLN A 71 -2.437 4.643 5.316 1.00 0.00 O ATOM 1137 CB GLN A 71 -1.030 7.415 5.770 1.00 0.00 C ATOM 1138 CG GLN A 71 -1.620 7.481 7.182 1.00 0.00 C ATOM 1139 CD GLN A 71 -0.924 6.449 8.071 1.00 0.00 C ATOM 1140 OE1 GLN A 71 -0.688 6.697 9.237 1.00 0.00 O ATOM 1141 NE2 GLN A 71 -0.582 5.294 7.565 1.00 0.00 N ATOM 0 H GLN A 71 -3.000 8.842 5.180 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.614 6.645 3.850 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.184 6.728 5.752 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.651 8.395 5.479 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.490 8.481 7.596 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.692 7.286 7.150 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.781 5.087 6.586 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.116 4.599 8.149 1.00 0.00 H new ATOM 1150 N GLU A 72 -4.033 6.036 5.900 1.00 0.00 N ATOM 1151 CA GLU A 72 -4.852 4.938 6.482 1.00 0.00 C ATOM 1152 C GLU A 72 -5.522 4.156 5.349 1.00 0.00 C ATOM 1153 O GLU A 72 -5.365 2.957 5.231 1.00 0.00 O ATOM 1154 CB GLU A 72 -5.922 5.535 7.402 1.00 0.00 C ATOM 1155 CG GLU A 72 -5.394 5.577 8.837 1.00 0.00 C ATOM 1156 CD GLU A 72 -6.351 4.822 9.760 1.00 0.00 C ATOM 1157 OE1 GLU A 72 -7.497 5.232 9.857 1.00 0.00 O ATOM 1158 OE2 GLU A 72 -5.924 3.847 10.355 1.00 0.00 O ATOM 0 H GLU A 72 -4.447 6.966 5.965 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.215 4.267 7.059 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.183 6.540 7.070 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.832 4.937 7.355 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.401 5.130 8.883 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.294 6.611 9.168 1.00 0.00 H new ATOM 1165 N PHE A 73 -6.263 4.828 4.510 1.00 0.00 N ATOM 1166 CA PHE A 73 -6.935 4.126 3.381 1.00 0.00 C ATOM 1167 C PHE A 73 -5.865 3.481 2.486 1.00 0.00 C ATOM 1168 O PHE A 73 -6.131 2.551 1.753 1.00 0.00 O ATOM 1169 CB PHE A 73 -7.773 5.151 2.591 1.00 0.00 C ATOM 1170 CG PHE A 73 -7.726 4.863 1.106 1.00 0.00 C ATOM 1171 CD1 PHE A 73 -8.667 4.005 0.527 1.00 0.00 C ATOM 1172 CD2 PHE A 73 -6.737 5.454 0.311 1.00 0.00 C ATOM 1173 CE1 PHE A 73 -8.620 3.738 -0.846 1.00 0.00 C ATOM 1174 CE2 PHE A 73 -6.690 5.187 -1.062 1.00 0.00 C ATOM 1175 CZ PHE A 73 -7.631 4.329 -1.641 1.00 0.00 C ATOM 0 H PHE A 73 -6.432 5.833 4.558 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.596 3.342 3.750 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -8.806 5.125 2.937 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.398 6.157 2.782 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.430 3.548 1.140 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.010 6.116 0.757 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -9.347 3.076 -1.292 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.927 5.644 -1.675 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.594 4.123 -2.700 1.00 0.00 H new ATOM 1185 N MET A 74 -4.661 3.977 2.542 1.00 0.00 N ATOM 1186 CA MET A 74 -3.574 3.403 1.697 1.00 0.00 C ATOM 1187 C MET A 74 -3.048 2.115 2.336 1.00 0.00 C ATOM 1188 O MET A 74 -2.964 1.084 1.698 1.00 0.00 O ATOM 1189 CB MET A 74 -2.439 4.423 1.589 1.00 0.00 C ATOM 1190 CG MET A 74 -2.323 4.912 0.143 1.00 0.00 C ATOM 1191 SD MET A 74 -0.675 4.523 -0.495 1.00 0.00 S ATOM 1192 CE MET A 74 -1.167 3.162 -1.581 1.00 0.00 C ATOM 0 H MET A 74 -4.381 4.757 3.137 1.00 0.00 H new ATOM 0 HA MET A 74 -3.962 3.174 0.704 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.629 5.265 2.254 1.00 0.00 H new ATOM 0 HB3 MET A 74 -1.499 3.971 1.907 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.085 4.437 -0.475 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.498 5.987 0.096 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.615 2.262 -1.310 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.236 2.978 -1.473 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.947 3.425 -2.616 1.00 0.00 H new ATOM 1202 N ALA A 75 -2.697 2.167 3.589 1.00 0.00 N ATOM 1203 CA ALA A 75 -2.179 0.950 4.271 1.00 0.00 C ATOM 1204 C ALA A 75 -3.316 -0.059 4.430 1.00 0.00 C ATOM 1205 O ALA A 75 -3.098 -1.221 4.710 1.00 0.00 O ATOM 1206 CB ALA A 75 -1.634 1.332 5.649 1.00 0.00 C ATOM 0 H ALA A 75 -2.747 3.002 4.172 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.379 0.507 3.677 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.254 0.441 6.150 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.827 2.055 5.533 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.432 1.772 6.247 1.00 0.00 H new ATOM 1212 N PHE A 76 -4.532 0.379 4.246 1.00 0.00 N ATOM 1213 CA PHE A 76 -5.690 -0.547 4.380 1.00 0.00 C ATOM 1214 C PHE A 76 -5.832 -1.371 3.098 1.00 0.00 C ATOM 1215 O PHE A 76 -6.220 -2.522 3.126 1.00 0.00 O ATOM 1216 CB PHE A 76 -6.965 0.271 4.607 1.00 0.00 C ATOM 1217 CG PHE A 76 -7.554 -0.077 5.951 1.00 0.00 C ATOM 1218 CD1 PHE A 76 -6.758 -0.009 7.101 1.00 0.00 C ATOM 1219 CD2 PHE A 76 -8.894 -0.466 6.051 1.00 0.00 C ATOM 1220 CE1 PHE A 76 -7.302 -0.333 8.349 1.00 0.00 C ATOM 1221 CE2 PHE A 76 -9.438 -0.790 7.299 1.00 0.00 C ATOM 1222 CZ PHE A 76 -8.641 -0.723 8.447 1.00 0.00 C ATOM 0 H PHE A 76 -4.773 1.341 4.008 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.530 -1.217 5.225 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.739 1.336 4.562 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -7.687 0.065 3.817 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.724 0.294 7.025 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.509 -0.516 5.165 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.688 -0.282 9.236 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.472 -1.092 7.376 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.061 -0.973 9.410 1.00 0.00 H new ATOM 1232 N VAL A 77 -5.516 -0.788 1.975 1.00 0.00 N ATOM 1233 CA VAL A 77 -5.627 -1.530 0.688 1.00 0.00 C ATOM 1234 C VAL A 77 -4.477 -2.532 0.574 1.00 0.00 C ATOM 1235 O VAL A 77 -4.584 -3.539 -0.095 1.00 0.00 O ATOM 1236 CB VAL A 77 -5.550 -0.532 -0.468 1.00 0.00 C ATOM 1237 CG1 VAL A 77 -5.436 -1.288 -1.794 1.00 0.00 C ATOM 1238 CG2 VAL A 77 -6.815 0.329 -0.482 1.00 0.00 C ATOM 0 H VAL A 77 -5.185 0.173 1.893 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.575 -2.066 0.652 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.675 0.105 -0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.381 -0.574 -2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.536 -1.902 -1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.310 -1.926 -1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.761 1.041 -1.306 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.689 -0.310 -0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.897 0.870 0.461 1.00 0.00 H new ATOM 1248 N SER A 78 -3.373 -2.259 1.213 1.00 0.00 N ATOM 1249 CA SER A 78 -2.212 -3.193 1.128 1.00 0.00 C ATOM 1250 C SER A 78 -2.430 -4.409 2.033 1.00 0.00 C ATOM 1251 O SER A 78 -2.058 -5.517 1.696 1.00 0.00 O ATOM 1252 CB SER A 78 -0.945 -2.461 1.568 1.00 0.00 C ATOM 1253 OG SER A 78 -0.726 -1.346 0.714 1.00 0.00 O ATOM 0 H SER A 78 -3.223 -1.431 1.790 1.00 0.00 H new ATOM 0 HA SER A 78 -2.112 -3.535 0.098 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.044 -2.128 2.601 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.090 -3.136 1.531 1.00 0.00 H new ATOM 0 HG SER A 78 0.235 -1.168 0.649 1.00 0.00 H new ATOM 1259 N MET A 79 -3.010 -4.217 3.186 1.00 0.00 N ATOM 1260 CA MET A 79 -3.226 -5.361 4.111 1.00 0.00 C ATOM 1261 C MET A 79 -4.238 -6.347 3.518 1.00 0.00 C ATOM 1262 O MET A 79 -4.144 -7.540 3.728 1.00 0.00 O ATOM 1263 CB MET A 79 -3.752 -4.831 5.444 1.00 0.00 C ATOM 1264 CG MET A 79 -2.868 -3.677 5.920 1.00 0.00 C ATOM 1265 SD MET A 79 -2.100 -4.118 7.497 1.00 0.00 S ATOM 1266 CE MET A 79 -3.003 -2.934 8.526 1.00 0.00 C ATOM 0 H MET A 79 -3.344 -3.315 3.526 1.00 0.00 H new ATOM 0 HA MET A 79 -2.280 -5.881 4.261 1.00 0.00 H new ATOM 0 HB2 MET A 79 -4.782 -4.492 5.331 1.00 0.00 H new ATOM 0 HB3 MET A 79 -3.759 -5.628 6.187 1.00 0.00 H new ATOM 0 HG2 MET A 79 -2.100 -3.462 5.177 1.00 0.00 H new ATOM 0 HG3 MET A 79 -3.464 -2.771 6.034 1.00 0.00 H new ATOM 0 HE1 MET A 79 -2.681 -3.033 9.563 1.00 0.00 H new ATOM 0 HE2 MET A 79 -2.801 -1.921 8.178 1.00 0.00 H new ATOM 0 HE3 MET A 79 -4.072 -3.134 8.458 1.00 0.00 H new ATOM 1276 N VAL A 80 -5.208 -5.868 2.789 1.00 0.00 N ATOM 1277 CA VAL A 80 -6.216 -6.794 2.206 1.00 0.00 C ATOM 1278 C VAL A 80 -5.653 -7.448 0.943 1.00 0.00 C ATOM 1279 O VAL A 80 -5.857 -8.622 0.699 1.00 0.00 O ATOM 1280 CB VAL A 80 -7.493 -6.024 1.870 1.00 0.00 C ATOM 1281 CG1 VAL A 80 -8.240 -5.692 3.166 1.00 0.00 C ATOM 1282 CG2 VAL A 80 -7.155 -4.728 1.127 1.00 0.00 C ATOM 0 H VAL A 80 -5.345 -4.881 2.573 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.450 -7.571 2.933 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.121 -6.642 1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.151 -5.143 2.930 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.497 -6.616 3.685 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.604 -5.081 3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.075 -4.191 0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.519 -4.104 1.755 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.630 -4.965 0.202 1.00 0.00 H new ATOM 1292 N THR A 81 -4.936 -6.711 0.143 1.00 0.00 N ATOM 1293 CA THR A 81 -4.352 -7.310 -1.090 1.00 0.00 C ATOM 1294 C THR A 81 -3.386 -8.421 -0.683 1.00 0.00 C ATOM 1295 O THR A 81 -2.989 -9.245 -1.484 1.00 0.00 O ATOM 1296 CB THR A 81 -3.587 -6.240 -1.877 1.00 0.00 C ATOM 1297 OG1 THR A 81 -4.306 -5.014 -1.854 1.00 0.00 O ATOM 1298 CG2 THR A 81 -3.406 -6.699 -3.324 1.00 0.00 C ATOM 0 H THR A 81 -4.729 -5.723 0.288 1.00 0.00 H new ATOM 0 HA THR A 81 -5.149 -7.712 -1.716 1.00 0.00 H new ATOM 0 HB THR A 81 -2.610 -6.090 -1.418 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.283 -4.638 -0.949 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.862 -5.937 -3.882 1.00 0.00 H new ATOM 0 HG22 THR A 81 -2.844 -7.633 -3.342 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.383 -6.855 -3.781 1.00 0.00 H new ATOM 1306 N THR A 82 -3.006 -8.443 0.564 1.00 0.00 N ATOM 1307 CA THR A 82 -2.065 -9.486 1.046 1.00 0.00 C ATOM 1308 C THR A 82 -2.837 -10.536 1.844 1.00 0.00 C ATOM 1309 O THR A 82 -2.348 -11.618 2.103 1.00 0.00 O ATOM 1310 CB THR A 82 -1.018 -8.828 1.946 1.00 0.00 C ATOM 1311 OG1 THR A 82 -0.340 -7.816 1.215 1.00 0.00 O ATOM 1312 CG2 THR A 82 -0.015 -9.876 2.419 1.00 0.00 C ATOM 0 H THR A 82 -3.311 -7.777 1.274 1.00 0.00 H new ATOM 0 HA THR A 82 -1.575 -9.966 0.199 1.00 0.00 H new ATOM 0 HB THR A 82 -1.510 -8.386 2.812 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.829 -6.971 1.296 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.730 -9.404 3.060 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.537 -10.652 2.979 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.480 -10.322 1.556 1.00 0.00 H new ATOM 1320 N ALA A 83 -4.039 -10.222 2.239 1.00 0.00 N ATOM 1321 CA ALA A 83 -4.845 -11.196 3.025 1.00 0.00 C ATOM 1322 C ALA A 83 -5.691 -12.053 2.079 1.00 0.00 C ATOM 1323 O ALA A 83 -6.898 -12.107 2.193 1.00 0.00 O ATOM 1324 CB ALA A 83 -5.763 -10.437 3.986 1.00 0.00 C ATOM 0 H ALA A 83 -4.499 -9.331 2.051 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.176 -11.843 3.592 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.354 -11.148 4.563 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.160 -9.833 4.664 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.429 -9.789 3.417 1.00 0.00 H new ATOM 1330 N CYS A 84 -5.067 -12.729 1.152 1.00 0.00 N ATOM 1331 CA CYS A 84 -5.839 -13.587 0.208 1.00 0.00 C ATOM 1332 C CYS A 84 -5.384 -15.040 0.361 1.00 0.00 C ATOM 1333 O CYS A 84 -4.697 -15.386 1.299 1.00 0.00 O ATOM 1334 CB CYS A 84 -5.591 -13.127 -1.229 1.00 0.00 C ATOM 1335 SG CYS A 84 -7.156 -12.612 -1.979 1.00 0.00 S ATOM 0 H CYS A 84 -4.057 -12.724 1.008 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.903 -13.507 0.433 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.881 -12.300 -1.240 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.147 -13.936 -1.809 1.00 0.00 H new ATOM 0 HG CYS A 84 -6.957 -11.563 -2.721 1.00 0.00 H new ATOM 1341 N HIS A 85 -5.757 -15.892 -0.555 1.00 0.00 N ATOM 1342 CA HIS A 85 -5.339 -17.319 -0.456 1.00 0.00 C ATOM 1343 C HIS A 85 -3.819 -17.393 -0.304 1.00 0.00 C ATOM 1344 O HIS A 85 -3.153 -16.389 -0.142 1.00 0.00 O ATOM 1345 CB HIS A 85 -5.760 -18.065 -1.725 1.00 0.00 C ATOM 1346 CG HIS A 85 -5.239 -17.336 -2.932 1.00 0.00 C ATOM 1347 ND1 HIS A 85 -6.025 -17.098 -4.048 1.00 0.00 N ATOM 1348 CD2 HIS A 85 -4.012 -16.784 -3.214 1.00 0.00 C ATOM 1349 CE1 HIS A 85 -5.271 -16.429 -4.942 1.00 0.00 C ATOM 1350 NE2 HIS A 85 -4.036 -16.213 -4.482 1.00 0.00 N ATOM 0 H HIS A 85 -6.332 -15.662 -1.366 1.00 0.00 H new ATOM 0 HA HIS A 85 -5.816 -17.778 0.410 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -5.372 -19.083 -1.707 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -6.846 -18.139 -1.773 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -6.998 -17.378 -4.171 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -3.159 -16.792 -2.552 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -5.622 -16.107 -5.911 1.00 0.00 H new ATOM 1358 N GLU A 86 -3.262 -18.573 -0.356 1.00 0.00 N ATOM 1359 CA GLU A 86 -1.785 -18.703 -0.214 1.00 0.00 C ATOM 1360 C GLU A 86 -1.097 -17.638 -1.069 1.00 0.00 C ATOM 1361 O GLU A 86 -0.962 -17.783 -2.267 1.00 0.00 O ATOM 1362 CB GLU A 86 -1.345 -20.092 -0.684 1.00 0.00 C ATOM 1363 CG GLU A 86 -0.151 -20.557 0.153 1.00 0.00 C ATOM 1364 CD GLU A 86 -0.613 -21.615 1.156 1.00 0.00 C ATOM 1365 OE1 GLU A 86 -1.147 -21.234 2.185 1.00 0.00 O ATOM 1366 OE2 GLU A 86 -0.424 -22.788 0.878 1.00 0.00 O ATOM 0 H GLU A 86 -3.765 -19.450 -0.490 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.508 -18.569 0.832 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.169 -20.799 -0.587 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.074 -20.062 -1.739 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.623 -20.968 -0.495 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.290 -19.710 0.679 1.00 0.00 H new ATOM 1373 N PHE A 87 -0.663 -16.567 -0.463 1.00 0.00 N ATOM 1374 CA PHE A 87 0.014 -15.499 -1.247 1.00 0.00 C ATOM 1375 C PHE A 87 -0.930 -14.991 -2.340 1.00 0.00 C ATOM 1376 O PHE A 87 -2.133 -14.972 -2.173 1.00 0.00 O ATOM 1377 CB PHE A 87 1.281 -16.068 -1.888 1.00 0.00 C ATOM 1378 CG PHE A 87 2.294 -14.965 -2.063 1.00 0.00 C ATOM 1379 CD1 PHE A 87 2.557 -14.079 -1.010 1.00 0.00 C ATOM 1380 CD2 PHE A 87 2.970 -14.827 -3.280 1.00 0.00 C ATOM 1381 CE1 PHE A 87 3.495 -13.053 -1.177 1.00 0.00 C ATOM 1382 CE2 PHE A 87 3.908 -13.802 -3.447 1.00 0.00 C ATOM 1383 CZ PHE A 87 4.170 -12.915 -2.395 1.00 0.00 C ATOM 0 H PHE A 87 -0.748 -16.387 0.537 1.00 0.00 H new ATOM 0 HA PHE A 87 0.279 -14.673 -0.587 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.694 -16.860 -1.263 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.044 -16.515 -2.853 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.036 -14.187 -0.070 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.768 -15.511 -4.091 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.697 -12.369 -0.366 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.430 -13.695 -4.387 1.00 0.00 H new ATOM 0 HZ PHE A 87 4.894 -12.124 -2.524 1.00 0.00 H new ATOM 1393 N PHE A 88 -0.396 -14.583 -3.460 1.00 0.00 N ATOM 1394 CA PHE A 88 -1.263 -14.079 -4.561 1.00 0.00 C ATOM 1395 C PHE A 88 -1.247 -15.084 -5.716 1.00 0.00 C ATOM 1396 O PHE A 88 -0.914 -14.751 -6.836 1.00 0.00 O ATOM 1397 CB PHE A 88 -0.740 -12.727 -5.057 1.00 0.00 C ATOM 1398 CG PHE A 88 -0.051 -11.996 -3.929 1.00 0.00 C ATOM 1399 CD1 PHE A 88 -0.646 -11.938 -2.664 1.00 0.00 C ATOM 1400 CD2 PHE A 88 1.183 -11.374 -4.150 1.00 0.00 C ATOM 1401 CE1 PHE A 88 -0.008 -11.259 -1.619 1.00 0.00 C ATOM 1402 CE2 PHE A 88 1.822 -10.694 -3.106 1.00 0.00 C ATOM 1403 CZ PHE A 88 1.227 -10.637 -1.839 1.00 0.00 C ATOM 0 H PHE A 88 0.604 -14.577 -3.659 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.281 -13.956 -4.192 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.045 -12.877 -5.883 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.565 -12.127 -5.440 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.599 -12.418 -2.493 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.643 -11.418 -5.126 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.468 -11.215 -0.643 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.774 -10.213 -3.278 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.720 -10.114 -1.033 1.00 0.00 H new ATOM 1413 N GLU A 89 -1.601 -16.313 -5.454 1.00 0.00 N ATOM 1414 CA GLU A 89 -1.602 -17.335 -6.538 1.00 0.00 C ATOM 1415 C GLU A 89 -2.665 -16.976 -7.575 1.00 0.00 C ATOM 1416 O GLU A 89 -3.823 -17.316 -7.438 1.00 0.00 O ATOM 1417 CB GLU A 89 -1.908 -18.713 -5.948 1.00 0.00 C ATOM 1418 CG GLU A 89 -1.477 -19.796 -6.940 1.00 0.00 C ATOM 1419 CD GLU A 89 -0.890 -20.984 -6.178 1.00 0.00 C ATOM 1420 OE1 GLU A 89 -1.007 -20.998 -4.963 1.00 0.00 O ATOM 1421 OE2 GLU A 89 -0.331 -21.859 -6.820 1.00 0.00 O ATOM 0 H GLU A 89 -1.889 -16.653 -4.536 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.622 -17.357 -7.014 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.382 -18.841 -5.002 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.973 -18.802 -5.735 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.331 -20.119 -7.535 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.738 -19.395 -7.634 1.00 0.00 H new ATOM 1428 N HIS A 90 -2.277 -16.289 -8.611 1.00 0.00 N ATOM 1429 CA HIS A 90 -3.256 -15.903 -9.662 1.00 0.00 C ATOM 1430 C HIS A 90 -3.061 -16.800 -10.889 1.00 0.00 C ATOM 1431 O HIS A 90 -3.978 -17.032 -11.652 1.00 0.00 O ATOM 1432 CB HIS A 90 -3.028 -14.435 -10.042 1.00 0.00 C ATOM 1433 CG HIS A 90 -3.685 -14.138 -11.363 1.00 0.00 C ATOM 1434 ND1 HIS A 90 -2.970 -14.099 -12.550 1.00 0.00 N ATOM 1435 CD2 HIS A 90 -4.988 -13.871 -11.701 1.00 0.00 C ATOM 1436 CE1 HIS A 90 -3.840 -13.818 -13.537 1.00 0.00 C ATOM 1437 NE2 HIS A 90 -5.083 -13.669 -13.074 1.00 0.00 N ATOM 0 H HIS A 90 -1.320 -15.977 -8.776 1.00 0.00 H new ATOM 0 HA HIS A 90 -4.273 -16.025 -9.290 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -3.435 -13.783 -9.269 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -1.960 -14.228 -10.103 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -5.814 -13.825 -11.007 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -3.566 -13.724 -14.577 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -5.923 -13.453 -13.612 1.00 0.00 H new ATOM 1445 N GLU A 91 -1.875 -17.306 -11.085 1.00 0.00 N ATOM 1446 CA GLU A 91 -1.627 -18.185 -12.262 1.00 0.00 C ATOM 1447 C GLU A 91 -1.224 -19.580 -11.781 1.00 0.00 C ATOM 1448 O GLU A 91 -1.282 -20.501 -12.580 1.00 0.00 O ATOM 1449 CB GLU A 91 -0.500 -17.594 -13.111 1.00 0.00 C ATOM 1450 CG GLU A 91 -0.526 -18.225 -14.506 1.00 0.00 C ATOM 1451 CD GLU A 91 -1.872 -17.935 -15.170 1.00 0.00 C ATOM 1452 OE1 GLU A 91 -2.104 -16.790 -15.522 1.00 0.00 O ATOM 1453 OE2 GLU A 91 -2.650 -18.863 -15.318 1.00 0.00 O ATOM 1454 OXT GLU A 91 -0.866 -19.703 -10.621 1.00 0.00 O ATOM 0 H GLU A 91 -1.068 -17.149 -10.482 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.535 -18.255 -12.861 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.616 -16.513 -13.187 1.00 0.00 H new ATOM 0 HB3 GLU A 91 0.463 -17.778 -12.635 1.00 0.00 H new ATOM 0 HG2 GLU A 91 0.285 -17.824 -15.114 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.368 -19.301 -14.433 1.00 0.00 H new TER 1461 GLU A 91 ATOM 1462 N MET B 0 -8.274 -1.661 -15.881 1.00 0.00 N ATOM 1463 CA MET B 0 -9.625 -1.035 -15.946 1.00 0.00 C ATOM 1464 C MET B 0 -9.764 -0.005 -14.823 1.00 0.00 C ATOM 1465 O MET B 0 -10.477 0.969 -14.945 1.00 0.00 O ATOM 1466 CB MET B 0 -10.694 -2.116 -15.779 1.00 0.00 C ATOM 1467 CG MET B 0 -12.075 -1.517 -16.054 1.00 0.00 C ATOM 1468 SD MET B 0 -13.345 -2.770 -15.753 1.00 0.00 S ATOM 1469 CE MET B 0 -14.768 -1.783 -16.277 1.00 0.00 C ATOM 0 H1 MET B 0 -8.094 -2.190 -16.758 1.00 0.00 H new ATOM 0 H2 MET B 0 -7.553 -0.920 -15.770 1.00 0.00 H new ATOM 0 H3 MET B 0 -8.231 -2.310 -15.070 1.00 0.00 H new ATOM 0 HA MET B 0 -9.752 -0.542 -16.910 1.00 0.00 H new ATOM 0 HB2 MET B 0 -10.501 -2.942 -16.464 1.00 0.00 H new ATOM 0 HB3 MET B 0 -10.658 -2.525 -14.769 1.00 0.00 H new ATOM 0 HG2 MET B 0 -12.243 -0.652 -15.412 1.00 0.00 H new ATOM 0 HG3 MET B 0 -12.132 -1.165 -17.084 1.00 0.00 H new ATOM 0 HE1 MET B 0 -15.678 -2.373 -16.172 1.00 0.00 H new ATOM 0 HE2 MET B 0 -14.840 -0.891 -15.655 1.00 0.00 H new ATOM 0 HE3 MET B 0 -14.644 -1.490 -17.319 1.00 0.00 H new ATOM 1481 N SER B 1 -9.088 -0.217 -13.728 1.00 0.00 N ATOM 1482 CA SER B 1 -9.182 0.747 -12.596 1.00 0.00 C ATOM 1483 C SER B 1 -7.777 1.091 -12.102 1.00 0.00 C ATOM 1484 O SER B 1 -6.830 0.367 -12.337 1.00 0.00 O ATOM 1485 CB SER B 1 -9.985 0.117 -11.460 1.00 0.00 C ATOM 1486 OG SER B 1 -9.442 0.534 -10.215 1.00 0.00 O ATOM 0 H SER B 1 -8.475 -1.016 -13.568 1.00 0.00 H new ATOM 0 HA SER B 1 -9.680 1.657 -12.931 1.00 0.00 H new ATOM 0 HB2 SER B 1 -11.032 0.413 -11.531 1.00 0.00 H new ATOM 0 HB3 SER B 1 -9.955 -0.970 -11.537 1.00 0.00 H new ATOM 0 HG SER B 1 -9.672 1.473 -10.056 1.00 0.00 H new ATOM 1492 N GLU B 2 -7.633 2.195 -11.419 1.00 0.00 N ATOM 1493 CA GLU B 2 -6.291 2.590 -10.911 1.00 0.00 C ATOM 1494 C GLU B 2 -5.968 1.804 -9.640 1.00 0.00 C ATOM 1495 O GLU B 2 -4.823 1.535 -9.342 1.00 0.00 O ATOM 1496 CB GLU B 2 -6.294 4.087 -10.593 1.00 0.00 C ATOM 1497 CG GLU B 2 -4.896 4.659 -10.826 1.00 0.00 C ATOM 1498 CD GLU B 2 -4.797 5.195 -12.255 1.00 0.00 C ATOM 1499 OE1 GLU B 2 -4.500 4.409 -13.142 1.00 0.00 O ATOM 1500 OE2 GLU B 2 -5.021 6.380 -12.440 1.00 0.00 O ATOM 0 H GLU B 2 -8.389 2.840 -11.191 1.00 0.00 H new ATOM 0 HA GLU B 2 -5.538 2.374 -11.669 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -7.019 4.602 -11.223 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -6.598 4.250 -9.559 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -4.694 5.457 -10.112 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -4.144 3.887 -10.663 1.00 0.00 H new ATOM 1507 N LEU B 3 -6.967 1.440 -8.886 1.00 0.00 N ATOM 1508 CA LEU B 3 -6.713 0.678 -7.630 1.00 0.00 C ATOM 1509 C LEU B 3 -6.333 -0.763 -7.968 1.00 0.00 C ATOM 1510 O LEU B 3 -5.446 -1.339 -7.370 1.00 0.00 O ATOM 1511 CB LEU B 3 -7.981 0.676 -6.775 1.00 0.00 C ATOM 1512 CG LEU B 3 -7.598 0.640 -5.296 1.00 0.00 C ATOM 1513 CD1 LEU B 3 -7.119 2.026 -4.857 1.00 0.00 C ATOM 1514 CD2 LEU B 3 -8.817 0.231 -4.464 1.00 0.00 C ATOM 0 H LEU B 3 -7.948 1.637 -9.084 1.00 0.00 H new ATOM 0 HA LEU B 3 -5.897 1.149 -7.082 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -8.576 1.564 -6.986 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -8.598 -0.187 -7.023 1.00 0.00 H new ATOM 0 HG LEU B 3 -6.796 -0.083 -5.146 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -6.846 1.999 -3.802 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -6.251 2.315 -5.449 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -7.919 2.752 -5.007 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -8.545 0.205 -3.409 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -9.619 0.954 -4.614 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -9.156 -0.757 -4.776 1.00 0.00 H new ATOM 1526 N GLU B 4 -7.004 -1.354 -8.913 1.00 0.00 N ATOM 1527 CA GLU B 4 -6.694 -2.764 -9.283 1.00 0.00 C ATOM 1528 C GLU B 4 -5.370 -2.825 -10.056 1.00 0.00 C ATOM 1529 O GLU B 4 -4.487 -3.593 -9.732 1.00 0.00 O ATOM 1530 CB GLU B 4 -7.831 -3.314 -10.154 1.00 0.00 C ATOM 1531 CG GLU B 4 -7.368 -4.579 -10.885 1.00 0.00 C ATOM 1532 CD GLU B 4 -7.096 -4.248 -12.353 1.00 0.00 C ATOM 1533 OE1 GLU B 4 -7.663 -3.282 -12.836 1.00 0.00 O ATOM 1534 OE2 GLU B 4 -6.324 -4.966 -12.968 1.00 0.00 O ATOM 0 H GLU B 4 -7.757 -0.922 -9.448 1.00 0.00 H new ATOM 0 HA GLU B 4 -6.599 -3.366 -8.379 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -8.698 -3.540 -9.534 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -8.143 -2.560 -10.877 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -6.466 -4.973 -10.417 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -8.130 -5.354 -10.811 1.00 0.00 H new ATOM 1541 N LYS B 5 -5.229 -2.031 -11.081 1.00 0.00 N ATOM 1542 CA LYS B 5 -3.969 -2.058 -11.879 1.00 0.00 C ATOM 1543 C LYS B 5 -2.796 -1.551 -11.034 1.00 0.00 C ATOM 1544 O LYS B 5 -1.668 -1.960 -11.220 1.00 0.00 O ATOM 1545 CB LYS B 5 -4.129 -1.162 -13.107 1.00 0.00 C ATOM 1546 CG LYS B 5 -3.742 -1.942 -14.366 1.00 0.00 C ATOM 1547 CD LYS B 5 -4.889 -1.877 -15.376 1.00 0.00 C ATOM 1548 CE LYS B 5 -4.745 -0.616 -16.233 1.00 0.00 C ATOM 1549 NZ LYS B 5 -3.624 -0.797 -17.198 1.00 0.00 N ATOM 0 H LYS B 5 -5.931 -1.364 -11.401 1.00 0.00 H new ATOM 0 HA LYS B 5 -3.768 -3.083 -12.189 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -5.159 -0.815 -13.185 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -3.501 -0.277 -13.008 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -2.835 -1.524 -14.802 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -3.525 -2.979 -14.112 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -4.880 -2.763 -16.010 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -5.846 -1.868 -14.855 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -5.673 -0.420 -16.770 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -4.556 0.249 -15.597 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -3.766 -0.171 -18.016 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -2.724 -0.561 -16.733 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -3.599 -1.786 -17.519 1.00 0.00 H new ATOM 1563 N ALA B 6 -3.047 -0.655 -10.122 1.00 0.00 N ATOM 1564 CA ALA B 6 -1.938 -0.116 -9.284 1.00 0.00 C ATOM 1565 C ALA B 6 -1.603 -1.092 -8.152 1.00 0.00 C ATOM 1566 O ALA B 6 -0.509 -1.616 -8.077 1.00 0.00 O ATOM 1567 CB ALA B 6 -2.358 1.229 -8.687 1.00 0.00 C ATOM 0 H ALA B 6 -3.971 -0.272 -9.920 1.00 0.00 H new ATOM 0 HA ALA B 6 -1.055 0.016 -9.910 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -1.548 1.624 -8.074 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -2.580 1.931 -9.491 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.246 1.092 -8.070 1.00 0.00 H new ATOM 1573 N MET B 7 -2.529 -1.330 -7.266 1.00 0.00 N ATOM 1574 CA MET B 7 -2.260 -2.258 -6.131 1.00 0.00 C ATOM 1575 C MET B 7 -1.752 -3.599 -6.666 1.00 0.00 C ATOM 1576 O MET B 7 -0.724 -4.097 -6.251 1.00 0.00 O ATOM 1577 CB MET B 7 -3.555 -2.476 -5.338 1.00 0.00 C ATOM 1578 CG MET B 7 -3.430 -3.724 -4.452 1.00 0.00 C ATOM 1579 SD MET B 7 -1.840 -3.707 -3.584 1.00 0.00 S ATOM 1580 CE MET B 7 -2.353 -2.674 -2.190 1.00 0.00 C ATOM 0 H MET B 7 -3.463 -0.921 -7.278 1.00 0.00 H new ATOM 0 HA MET B 7 -1.501 -1.824 -5.480 1.00 0.00 H new ATOM 0 HB2 MET B 7 -3.764 -1.602 -4.721 1.00 0.00 H new ATOM 0 HB3 MET B 7 -4.395 -2.590 -6.023 1.00 0.00 H new ATOM 0 HG2 MET B 7 -4.247 -3.752 -3.731 1.00 0.00 H new ATOM 0 HG3 MET B 7 -3.512 -4.624 -5.062 1.00 0.00 H new ATOM 0 HE1 MET B 7 -1.510 -2.531 -1.514 1.00 0.00 H new ATOM 0 HE2 MET B 7 -2.690 -1.706 -2.560 1.00 0.00 H new ATOM 0 HE3 MET B 7 -3.168 -3.162 -1.656 1.00 0.00 H new ATOM 1590 N VAL B 8 -2.468 -4.190 -7.577 1.00 0.00 N ATOM 1591 CA VAL B 8 -2.028 -5.501 -8.129 1.00 0.00 C ATOM 1592 C VAL B 8 -0.671 -5.336 -8.816 1.00 0.00 C ATOM 1593 O VAL B 8 0.116 -6.260 -8.882 1.00 0.00 O ATOM 1594 CB VAL B 8 -3.065 -6.006 -9.129 1.00 0.00 C ATOM 1595 CG1 VAL B 8 -2.780 -7.471 -9.463 1.00 0.00 C ATOM 1596 CG2 VAL B 8 -4.460 -5.892 -8.512 1.00 0.00 C ATOM 0 H VAL B 8 -3.338 -3.824 -7.964 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.931 -6.226 -7.321 1.00 0.00 H new ATOM 0 HB VAL B 8 -3.015 -5.408 -10.039 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -3.520 -7.832 -10.177 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -1.784 -7.558 -9.897 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.832 -8.068 -8.553 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -5.203 -6.252 -9.224 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -4.506 -6.493 -7.604 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -4.666 -4.850 -8.268 1.00 0.00 H new ATOM 1606 N ALA B 9 -0.385 -4.166 -9.321 1.00 0.00 N ATOM 1607 CA ALA B 9 0.929 -3.949 -9.988 1.00 0.00 C ATOM 1608 C ALA B 9 2.039 -4.066 -8.948 1.00 0.00 C ATOM 1609 O ALA B 9 3.093 -4.615 -9.206 1.00 0.00 O ATOM 1610 CB ALA B 9 0.967 -2.552 -10.608 1.00 0.00 C ATOM 0 H ALA B 9 -1.003 -3.354 -9.300 1.00 0.00 H new ATOM 0 HA ALA B 9 1.069 -4.696 -10.770 1.00 0.00 H new ATOM 0 HB1 ALA B 9 1.930 -2.396 -11.095 1.00 0.00 H new ATOM 0 HB2 ALA B 9 0.168 -2.459 -11.344 1.00 0.00 H new ATOM 0 HB3 ALA B 9 0.830 -1.804 -9.827 1.00 0.00 H new ATOM 1616 N LEU B 10 1.810 -3.556 -7.769 1.00 0.00 N ATOM 1617 CA LEU B 10 2.850 -3.641 -6.710 1.00 0.00 C ATOM 1618 C LEU B 10 3.168 -5.111 -6.445 1.00 0.00 C ATOM 1619 O LEU B 10 4.264 -5.457 -6.060 1.00 0.00 O ATOM 1620 CB LEU B 10 2.336 -2.982 -5.428 1.00 0.00 C ATOM 1621 CG LEU B 10 3.148 -1.716 -5.147 1.00 0.00 C ATOM 1622 CD1 LEU B 10 2.204 -0.519 -5.023 1.00 0.00 C ATOM 1623 CD2 LEU B 10 3.926 -1.890 -3.841 1.00 0.00 C ATOM 0 H LEU B 10 0.948 -3.085 -7.495 1.00 0.00 H new ATOM 0 HA LEU B 10 3.752 -3.123 -7.036 1.00 0.00 H new ATOM 0 HB2 LEU B 10 1.280 -2.734 -5.532 1.00 0.00 H new ATOM 0 HB3 LEU B 10 2.420 -3.675 -4.591 1.00 0.00 H new ATOM 0 HG LEU B 10 3.846 -1.543 -5.966 1.00 0.00 H new ATOM 0 HD11 LEU B 10 2.784 0.382 -4.823 1.00 0.00 H new ATOM 0 HD12 LEU B 10 1.650 -0.395 -5.953 1.00 0.00 H new ATOM 0 HD13 LEU B 10 1.505 -0.690 -4.204 1.00 0.00 H new ATOM 0 HD21 LEU B 10 4.505 -0.989 -3.640 1.00 0.00 H new ATOM 0 HD22 LEU B 10 3.228 -2.063 -3.022 1.00 0.00 H new ATOM 0 HD23 LEU B 10 4.600 -2.742 -3.930 1.00 0.00 H new ATOM 1635 N ILE B 11 2.222 -5.984 -6.660 1.00 0.00 N ATOM 1636 CA ILE B 11 2.489 -7.430 -6.434 1.00 0.00 C ATOM 1637 C ILE B 11 3.436 -7.920 -7.532 1.00 0.00 C ATOM 1638 O ILE B 11 4.252 -8.796 -7.324 1.00 0.00 O ATOM 1639 CB ILE B 11 1.172 -8.215 -6.483 1.00 0.00 C ATOM 1640 CG1 ILE B 11 0.446 -8.077 -5.141 1.00 0.00 C ATOM 1641 CG2 ILE B 11 1.457 -9.696 -6.750 1.00 0.00 C ATOM 1642 CD1 ILE B 11 0.422 -6.607 -4.715 1.00 0.00 C ATOM 0 H ILE B 11 1.280 -5.759 -6.981 1.00 0.00 H new ATOM 0 HA ILE B 11 2.944 -7.582 -5.455 1.00 0.00 H new ATOM 0 HB ILE B 11 0.549 -7.816 -7.284 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.572 -8.457 -5.227 1.00 0.00 H new ATOM 0 HG13 ILE B 11 0.948 -8.677 -4.382 1.00 0.00 H new ATOM 0 HG21 ILE B 11 0.517 -10.247 -6.783 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.973 -9.801 -7.704 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.084 -10.095 -5.953 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.095 -6.513 -3.760 1.00 0.00 H new ATOM 0 HD12 ILE B 11 1.444 -6.241 -4.612 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -0.100 -6.018 -5.469 1.00 0.00 H new ATOM 1654 N ASP B 12 3.334 -7.348 -8.700 1.00 0.00 N ATOM 1655 CA ASP B 12 4.227 -7.759 -9.818 1.00 0.00 C ATOM 1656 C ASP B 12 5.671 -7.415 -9.453 1.00 0.00 C ATOM 1657 O ASP B 12 6.533 -8.270 -9.410 1.00 0.00 O ATOM 1658 CB ASP B 12 3.823 -7.007 -11.087 1.00 0.00 C ATOM 1659 CG ASP B 12 4.479 -7.664 -12.303 1.00 0.00 C ATOM 1660 OD1 ASP B 12 5.673 -7.487 -12.477 1.00 0.00 O ATOM 1661 OD2 ASP B 12 3.776 -8.333 -13.041 1.00 0.00 O ATOM 0 H ASP B 12 2.667 -6.610 -8.928 1.00 0.00 H new ATOM 0 HA ASP B 12 4.140 -8.832 -9.991 1.00 0.00 H new ATOM 0 HB2 ASP B 12 2.739 -7.015 -11.197 1.00 0.00 H new ATOM 0 HB3 ASP B 12 4.128 -5.963 -11.016 1.00 0.00 H new ATOM 1666 N VAL B 13 5.937 -6.168 -9.179 1.00 0.00 N ATOM 1667 CA VAL B 13 7.320 -5.762 -8.802 1.00 0.00 C ATOM 1668 C VAL B 13 7.764 -6.597 -7.598 1.00 0.00 C ATOM 1669 O VAL B 13 8.770 -7.276 -7.631 1.00 0.00 O ATOM 1670 CB VAL B 13 7.315 -4.252 -8.468 1.00 0.00 C ATOM 1671 CG1 VAL B 13 7.712 -3.986 -7.008 1.00 0.00 C ATOM 1672 CG2 VAL B 13 8.299 -3.527 -9.388 1.00 0.00 C ATOM 0 H VAL B 13 5.254 -5.411 -9.200 1.00 0.00 H new ATOM 0 HA VAL B 13 8.020 -5.935 -9.620 1.00 0.00 H new ATOM 0 HB VAL B 13 6.300 -3.883 -8.617 1.00 0.00 H new ATOM 0 HG11 VAL B 13 7.696 -2.913 -6.816 1.00 0.00 H new ATOM 0 HG12 VAL B 13 7.007 -4.484 -6.343 1.00 0.00 H new ATOM 0 HG13 VAL B 13 8.716 -4.371 -6.828 1.00 0.00 H new ATOM 0 HG21 VAL B 13 8.298 -2.462 -9.155 1.00 0.00 H new ATOM 0 HG22 VAL B 13 9.301 -3.930 -9.239 1.00 0.00 H new ATOM 0 HG23 VAL B 13 8.000 -3.672 -10.426 1.00 0.00 H new ATOM 1682 N PHE B 14 7.012 -6.542 -6.535 1.00 0.00 N ATOM 1683 CA PHE B 14 7.370 -7.319 -5.316 1.00 0.00 C ATOM 1684 C PHE B 14 7.822 -8.728 -5.711 1.00 0.00 C ATOM 1685 O PHE B 14 8.687 -9.306 -5.085 1.00 0.00 O ATOM 1686 CB PHE B 14 6.149 -7.417 -4.400 1.00 0.00 C ATOM 1687 CG PHE B 14 6.525 -8.164 -3.143 1.00 0.00 C ATOM 1688 CD1 PHE B 14 7.579 -7.705 -2.344 1.00 0.00 C ATOM 1689 CD2 PHE B 14 5.821 -9.315 -2.776 1.00 0.00 C ATOM 1690 CE1 PHE B 14 7.927 -8.396 -1.180 1.00 0.00 C ATOM 1691 CE2 PHE B 14 6.169 -10.008 -1.612 1.00 0.00 C ATOM 1692 CZ PHE B 14 7.223 -9.548 -0.813 1.00 0.00 C ATOM 0 H PHE B 14 6.159 -5.988 -6.458 1.00 0.00 H new ATOM 0 HA PHE B 14 8.183 -6.814 -4.794 1.00 0.00 H new ATOM 0 HB2 PHE B 14 5.787 -6.420 -4.149 1.00 0.00 H new ATOM 0 HB3 PHE B 14 5.336 -7.931 -4.913 1.00 0.00 H new ATOM 0 HD1 PHE B 14 8.124 -6.816 -2.627 1.00 0.00 H new ATOM 0 HD2 PHE B 14 5.008 -9.669 -3.392 1.00 0.00 H new ATOM 0 HE1 PHE B 14 8.740 -8.041 -0.564 1.00 0.00 H new ATOM 0 HE2 PHE B 14 5.625 -10.897 -1.330 1.00 0.00 H new ATOM 0 HZ PHE B 14 7.492 -10.082 0.086 1.00 0.00 H new ATOM 1702 N HIS B 15 7.245 -9.286 -6.739 1.00 0.00 N ATOM 1703 CA HIS B 15 7.649 -10.657 -7.165 1.00 0.00 C ATOM 1704 C HIS B 15 9.017 -10.595 -7.845 1.00 0.00 C ATOM 1705 O HIS B 15 9.914 -11.351 -7.530 1.00 0.00 O ATOM 1706 CB HIS B 15 6.616 -11.212 -8.147 1.00 0.00 C ATOM 1707 CG HIS B 15 6.744 -12.709 -8.216 1.00 0.00 C ATOM 1708 ND1 HIS B 15 7.498 -13.344 -9.192 1.00 0.00 N ATOM 1709 CD2 HIS B 15 6.223 -13.710 -7.435 1.00 0.00 C ATOM 1710 CE1 HIS B 15 7.411 -14.668 -8.974 1.00 0.00 C ATOM 1711 NE2 HIS B 15 6.646 -14.947 -7.915 1.00 0.00 N ATOM 0 H HIS B 15 6.513 -8.854 -7.302 1.00 0.00 H new ATOM 0 HA HIS B 15 7.705 -11.307 -6.292 1.00 0.00 H new ATOM 0 HB2 HIS B 15 5.611 -10.937 -7.828 1.00 0.00 H new ATOM 0 HB3 HIS B 15 6.767 -10.777 -9.135 1.00 0.00 H new ATOM 0 HD2 HIS B 15 5.582 -13.561 -6.578 1.00 0.00 H new ATOM 0 HE1 HIS B 15 7.900 -15.415 -9.581 1.00 0.00 H new ATOM 0 HE2 HIS B 15 6.420 -15.868 -7.539 1.00 0.00 H new ATOM 1719 N GLN B 16 9.181 -9.695 -8.771 1.00 0.00 N ATOM 1720 CA GLN B 16 10.488 -9.573 -9.474 1.00 0.00 C ATOM 1721 C GLN B 16 11.613 -9.462 -8.445 1.00 0.00 C ATOM 1722 O GLN B 16 12.707 -9.951 -8.649 1.00 0.00 O ATOM 1723 CB GLN B 16 10.470 -8.318 -10.345 1.00 0.00 C ATOM 1724 CG GLN B 16 11.235 -8.583 -11.643 1.00 0.00 C ATOM 1725 CD GLN B 16 10.249 -8.667 -12.808 1.00 0.00 C ATOM 1726 OE1 GLN B 16 10.322 -9.572 -13.617 1.00 0.00 O ATOM 1727 NE2 GLN B 16 9.323 -7.756 -12.931 1.00 0.00 N ATOM 0 H GLN B 16 8.464 -9.036 -9.073 1.00 0.00 H new ATOM 0 HA GLN B 16 10.654 -10.452 -10.097 1.00 0.00 H new ATOM 0 HB2 GLN B 16 9.442 -8.033 -10.569 1.00 0.00 H new ATOM 0 HB3 GLN B 16 10.922 -7.484 -9.808 1.00 0.00 H new ATOM 0 HG2 GLN B 16 11.957 -7.786 -11.821 1.00 0.00 H new ATOM 0 HG3 GLN B 16 11.799 -9.512 -11.562 1.00 0.00 H new ATOM 0 HE21 GLN B 16 9.261 -6.997 -12.253 1.00 0.00 H new ATOM 0 HE22 GLN B 16 8.661 -7.803 -13.705 1.00 0.00 H new ATOM 1736 N TYR B 17 11.351 -8.817 -7.343 1.00 0.00 N ATOM 1737 CA TYR B 17 12.400 -8.664 -6.295 1.00 0.00 C ATOM 1738 C TYR B 17 12.464 -9.932 -5.440 1.00 0.00 C ATOM 1739 O TYR B 17 13.519 -10.339 -4.995 1.00 0.00 O ATOM 1740 CB TYR B 17 12.053 -7.470 -5.400 1.00 0.00 C ATOM 1741 CG TYR B 17 12.358 -6.182 -6.128 1.00 0.00 C ATOM 1742 CD1 TYR B 17 13.686 -5.795 -6.338 1.00 0.00 C ATOM 1743 CD2 TYR B 17 11.311 -5.372 -6.586 1.00 0.00 C ATOM 1744 CE1 TYR B 17 13.968 -4.598 -7.008 1.00 0.00 C ATOM 1745 CE2 TYR B 17 11.594 -4.175 -7.256 1.00 0.00 C ATOM 1746 CZ TYR B 17 12.923 -3.789 -7.467 1.00 0.00 C ATOM 1747 OH TYR B 17 13.202 -2.609 -8.125 1.00 0.00 O ATOM 0 H TYR B 17 10.453 -8.387 -7.122 1.00 0.00 H new ATOM 0 HA TYR B 17 13.366 -8.499 -6.773 1.00 0.00 H new ATOM 0 HB2 TYR B 17 10.999 -7.503 -5.126 1.00 0.00 H new ATOM 0 HB3 TYR B 17 12.625 -7.519 -4.473 1.00 0.00 H new ATOM 0 HD1 TYR B 17 14.493 -6.419 -5.984 1.00 0.00 H new ATOM 0 HD2 TYR B 17 10.286 -5.670 -6.423 1.00 0.00 H new ATOM 0 HE1 TYR B 17 14.993 -4.299 -7.170 1.00 0.00 H new ATOM 0 HE2 TYR B 17 10.787 -3.550 -7.610 1.00 0.00 H new ATOM 0 HH TYR B 17 13.278 -1.881 -7.473 1.00 0.00 H new ATOM 1757 N SER B 18 11.344 -10.556 -5.206 1.00 0.00 N ATOM 1758 CA SER B 18 11.336 -11.792 -4.375 1.00 0.00 C ATOM 1759 C SER B 18 11.448 -13.022 -5.280 1.00 0.00 C ATOM 1760 O SER B 18 11.020 -14.103 -4.929 1.00 0.00 O ATOM 1761 CB SER B 18 10.033 -11.855 -3.579 1.00 0.00 C ATOM 1762 OG SER B 18 10.258 -11.347 -2.270 1.00 0.00 O ATOM 0 H SER B 18 10.432 -10.263 -5.555 1.00 0.00 H new ATOM 0 HA SER B 18 12.182 -11.776 -3.688 1.00 0.00 H new ATOM 0 HB2 SER B 18 9.259 -11.273 -4.079 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.675 -12.883 -3.526 1.00 0.00 H new ATOM 0 HG SER B 18 9.424 -11.384 -1.757 1.00 0.00 H new ATOM 1768 N GLY B 19 12.021 -12.866 -6.442 1.00 0.00 N ATOM 1769 CA GLY B 19 12.161 -14.024 -7.367 1.00 0.00 C ATOM 1770 C GLY B 19 13.641 -14.382 -7.526 1.00 0.00 C ATOM 1771 O GLY B 19 14.000 -15.246 -8.304 1.00 0.00 O ATOM 0 H GLY B 19 12.399 -11.985 -6.790 1.00 0.00 H new ATOM 0 HA2 GLY B 19 11.610 -14.880 -6.979 1.00 0.00 H new ATOM 0 HA3 GLY B 19 11.730 -13.780 -8.338 1.00 0.00 H new ATOM 1775 N ARG B 20 14.504 -13.726 -6.800 1.00 0.00 N ATOM 1776 CA ARG B 20 15.960 -14.029 -6.916 1.00 0.00 C ATOM 1777 C ARG B 20 16.327 -15.176 -5.967 1.00 0.00 C ATOM 1778 O ARG B 20 16.664 -14.959 -4.821 1.00 0.00 O ATOM 1779 CB ARG B 20 16.772 -12.784 -6.548 1.00 0.00 C ATOM 1780 CG ARG B 20 16.482 -11.665 -7.552 1.00 0.00 C ATOM 1781 CD ARG B 20 17.619 -10.641 -7.525 1.00 0.00 C ATOM 1782 NE ARG B 20 17.081 -9.288 -7.850 1.00 0.00 N ATOM 1783 CZ ARG B 20 17.804 -8.225 -7.623 1.00 0.00 C ATOM 1784 NH1 ARG B 20 18.321 -8.027 -6.441 1.00 0.00 N ATOM 1785 NH2 ARG B 20 18.008 -7.357 -8.575 1.00 0.00 N ATOM 0 H ARG B 20 14.265 -12.994 -6.132 1.00 0.00 H new ATOM 0 HA ARG B 20 16.186 -14.322 -7.941 1.00 0.00 H new ATOM 0 HB2 ARG B 20 16.517 -12.457 -5.540 1.00 0.00 H new ATOM 0 HB3 ARG B 20 17.836 -13.019 -6.548 1.00 0.00 H new ATOM 0 HG2 ARG B 20 16.378 -12.081 -8.554 1.00 0.00 H new ATOM 0 HG3 ARG B 20 15.537 -11.180 -7.308 1.00 0.00 H new ATOM 0 HD2 ARG B 20 18.089 -10.630 -6.542 1.00 0.00 H new ATOM 0 HD3 ARG B 20 18.390 -10.919 -8.244 1.00 0.00 H new ATOM 0 HE ARG B 20 16.147 -9.193 -8.250 1.00 0.00 H new ATOM 0 HH11 ARG B 20 18.160 -8.703 -5.694 1.00 0.00 H new ATOM 0 HH12 ARG B 20 18.886 -7.196 -6.264 1.00 0.00 H new ATOM 0 HH21 ARG B 20 17.602 -7.508 -9.499 1.00 0.00 H new ATOM 0 HH22 ARG B 20 18.573 -6.527 -8.396 1.00 0.00 H new ATOM 1799 N GLU B 21 16.268 -16.393 -6.442 1.00 0.00 N ATOM 1800 CA GLU B 21 16.617 -17.559 -5.575 1.00 0.00 C ATOM 1801 C GLU B 21 16.038 -17.355 -4.175 1.00 0.00 C ATOM 1802 O GLU B 21 15.162 -16.538 -3.965 1.00 0.00 O ATOM 1803 CB GLU B 21 18.143 -17.715 -5.474 1.00 0.00 C ATOM 1804 CG GLU B 21 18.851 -16.541 -6.157 1.00 0.00 C ATOM 1805 CD GLU B 21 20.320 -16.901 -6.389 1.00 0.00 C ATOM 1806 OE1 GLU B 21 21.049 -16.984 -5.414 1.00 0.00 O ATOM 1807 OE2 GLU B 21 20.689 -17.088 -7.536 1.00 0.00 O ATOM 0 H GLU B 21 15.993 -16.631 -7.395 1.00 0.00 H new ATOM 0 HA GLU B 21 16.195 -18.460 -6.020 1.00 0.00 H new ATOM 0 HB2 GLU B 21 18.440 -17.766 -4.427 1.00 0.00 H new ATOM 0 HB3 GLU B 21 18.450 -18.652 -5.939 1.00 0.00 H new ATOM 0 HG2 GLU B 21 18.367 -16.312 -7.106 1.00 0.00 H new ATOM 0 HG3 GLU B 21 18.777 -15.647 -5.538 1.00 0.00 H new ATOM 1814 N GLY B 22 16.518 -18.096 -3.213 1.00 0.00 N ATOM 1815 CA GLY B 22 15.995 -17.950 -1.826 1.00 0.00 C ATOM 1816 C GLY B 22 14.573 -18.506 -1.760 1.00 0.00 C ATOM 1817 O GLY B 22 14.146 -19.246 -2.624 1.00 0.00 O ATOM 0 H GLY B 22 17.250 -18.796 -3.329 1.00 0.00 H new ATOM 0 HA2 GLY B 22 16.638 -18.482 -1.125 1.00 0.00 H new ATOM 0 HA3 GLY B 22 16.001 -16.901 -1.531 1.00 0.00 H new ATOM 1821 N ASP B 23 13.835 -18.157 -0.743 1.00 0.00 N ATOM 1822 CA ASP B 23 12.444 -18.668 -0.625 1.00 0.00 C ATOM 1823 C ASP B 23 11.649 -18.274 -1.875 1.00 0.00 C ATOM 1824 O ASP B 23 11.701 -18.947 -2.884 1.00 0.00 O ATOM 1825 CB ASP B 23 11.793 -18.066 0.621 1.00 0.00 C ATOM 1826 CG ASP B 23 12.209 -18.871 1.851 1.00 0.00 C ATOM 1827 OD1 ASP B 23 13.224 -18.537 2.439 1.00 0.00 O ATOM 1828 OD2 ASP B 23 11.506 -19.811 2.186 1.00 0.00 O ATOM 0 H ASP B 23 14.137 -17.540 0.011 1.00 0.00 H new ATOM 0 HA ASP B 23 12.453 -19.754 -0.538 1.00 0.00 H new ATOM 0 HB2 ASP B 23 12.095 -17.025 0.735 1.00 0.00 H new ATOM 0 HB3 ASP B 23 10.708 -18.074 0.518 1.00 0.00 H new ATOM 1833 N LYS B 24 10.924 -17.187 -1.816 1.00 0.00 N ATOM 1834 CA LYS B 24 10.130 -16.745 -3.003 1.00 0.00 C ATOM 1835 C LYS B 24 9.232 -15.565 -2.612 1.00 0.00 C ATOM 1836 O LYS B 24 8.836 -14.777 -3.445 1.00 0.00 O ATOM 1837 CB LYS B 24 9.255 -17.898 -3.511 1.00 0.00 C ATOM 1838 CG LYS B 24 8.445 -17.432 -4.725 1.00 0.00 C ATOM 1839 CD LYS B 24 9.392 -17.129 -5.889 1.00 0.00 C ATOM 1840 CE LYS B 24 9.366 -18.289 -6.889 1.00 0.00 C ATOM 1841 NZ LYS B 24 10.613 -18.269 -7.706 1.00 0.00 N ATOM 0 H LYS B 24 10.847 -16.585 -0.996 1.00 0.00 H new ATOM 0 HA LYS B 24 10.817 -16.440 -3.792 1.00 0.00 H new ATOM 0 HB2 LYS B 24 9.879 -18.749 -3.783 1.00 0.00 H new ATOM 0 HB3 LYS B 24 8.584 -18.234 -2.721 1.00 0.00 H new ATOM 0 HG2 LYS B 24 7.730 -18.202 -5.015 1.00 0.00 H new ATOM 0 HG3 LYS B 24 7.869 -16.542 -4.471 1.00 0.00 H new ATOM 0 HD2 LYS B 24 9.094 -16.204 -6.382 1.00 0.00 H new ATOM 0 HD3 LYS B 24 10.405 -16.979 -5.517 1.00 0.00 H new ATOM 0 HE2 LYS B 24 9.281 -19.238 -6.359 1.00 0.00 H new ATOM 0 HE3 LYS B 24 8.493 -18.206 -7.536 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 10.596 -19.056 -8.385 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 10.676 -17.368 -8.222 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 11.439 -18.368 -7.082 1.00 0.00 H new ATOM 1855 N HIS B 25 8.905 -15.435 -1.352 1.00 0.00 N ATOM 1856 CA HIS B 25 8.035 -14.304 -0.921 1.00 0.00 C ATOM 1857 C HIS B 25 8.641 -13.636 0.317 1.00 0.00 C ATOM 1858 O HIS B 25 7.970 -13.414 1.305 1.00 0.00 O ATOM 1859 CB HIS B 25 6.638 -14.827 -0.580 1.00 0.00 C ATOM 1860 CG HIS B 25 6.307 -15.998 -1.466 1.00 0.00 C ATOM 1861 ND1 HIS B 25 6.251 -17.297 -0.984 1.00 0.00 N ATOM 1862 CD2 HIS B 25 6.012 -16.083 -2.804 1.00 0.00 C ATOM 1863 CE1 HIS B 25 5.933 -18.100 -2.018 1.00 0.00 C ATOM 1864 NE2 HIS B 25 5.776 -17.410 -3.151 1.00 0.00 N ATOM 0 H HIS B 25 9.203 -16.063 -0.605 1.00 0.00 H new ATOM 0 HA HIS B 25 7.963 -13.578 -1.731 1.00 0.00 H new ATOM 0 HB2 HIS B 25 6.597 -15.127 0.467 1.00 0.00 H new ATOM 0 HB3 HIS B 25 5.900 -14.036 -0.714 1.00 0.00 H new ATOM 0 HD2 HIS B 25 5.969 -15.246 -3.485 1.00 0.00 H new ATOM 0 HE1 HIS B 25 5.819 -19.171 -1.940 1.00 0.00 H new ATOM 0 HE2 HIS B 25 5.535 -17.777 -4.072 1.00 0.00 H new ATOM 1872 N LYS B 26 9.906 -13.316 0.272 1.00 0.00 N ATOM 1873 CA LYS B 26 10.552 -12.663 1.447 1.00 0.00 C ATOM 1874 C LYS B 26 11.580 -11.637 0.967 1.00 0.00 C ATOM 1875 O LYS B 26 12.497 -11.957 0.236 1.00 0.00 O ATOM 1876 CB LYS B 26 11.254 -13.724 2.300 1.00 0.00 C ATOM 1877 CG LYS B 26 12.485 -14.247 1.557 1.00 0.00 C ATOM 1878 CD LYS B 26 13.719 -13.453 1.989 1.00 0.00 C ATOM 1879 CE LYS B 26 14.646 -14.354 2.808 1.00 0.00 C ATOM 1880 NZ LYS B 26 14.330 -14.203 4.257 1.00 0.00 N ATOM 0 H LYS B 26 10.520 -13.478 -0.527 1.00 0.00 H new ATOM 0 HA LYS B 26 9.790 -12.160 2.042 1.00 0.00 H new ATOM 0 HB2 LYS B 26 11.549 -13.298 3.259 1.00 0.00 H new ATOM 0 HB3 LYS B 26 10.569 -14.545 2.514 1.00 0.00 H new ATOM 0 HG2 LYS B 26 12.628 -15.306 1.770 1.00 0.00 H new ATOM 0 HG3 LYS B 26 12.339 -14.155 0.481 1.00 0.00 H new ATOM 0 HD2 LYS B 26 14.245 -13.073 1.113 1.00 0.00 H new ATOM 0 HD3 LYS B 26 13.419 -12.588 2.581 1.00 0.00 H new ATOM 0 HE2 LYS B 26 14.523 -15.393 2.504 1.00 0.00 H new ATOM 0 HE3 LYS B 26 15.687 -14.089 2.622 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 15.144 -13.780 4.747 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 13.499 -13.587 4.369 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 14.126 -15.137 4.667 1.00 0.00 H new ATOM 1894 N LEU B 27 11.433 -10.405 1.373 1.00 0.00 N ATOM 1895 CA LEU B 27 12.402 -9.357 0.945 1.00 0.00 C ATOM 1896 C LEU B 27 13.434 -9.139 2.055 1.00 0.00 C ATOM 1897 O LEU B 27 13.603 -9.966 2.928 1.00 0.00 O ATOM 1898 CB LEU B 27 11.652 -8.049 0.681 1.00 0.00 C ATOM 1899 CG LEU B 27 11.719 -7.711 -0.809 1.00 0.00 C ATOM 1900 CD1 LEU B 27 10.941 -6.421 -1.076 1.00 0.00 C ATOM 1901 CD2 LEU B 27 13.179 -7.516 -1.224 1.00 0.00 C ATOM 0 H LEU B 27 10.683 -10.079 1.983 1.00 0.00 H new ATOM 0 HA LEU B 27 12.908 -9.676 0.034 1.00 0.00 H new ATOM 0 HB2 LEU B 27 10.613 -8.144 0.996 1.00 0.00 H new ATOM 0 HB3 LEU B 27 12.091 -7.242 1.267 1.00 0.00 H new ATOM 0 HG LEU B 27 11.282 -8.527 -1.384 1.00 0.00 H new ATOM 0 HD11 LEU B 27 10.989 -6.180 -2.138 1.00 0.00 H new ATOM 0 HD12 LEU B 27 9.900 -6.556 -0.781 1.00 0.00 H new ATOM 0 HD13 LEU B 27 11.379 -5.606 -0.499 1.00 0.00 H new ATOM 0 HD21 LEU B 27 13.226 -7.275 -2.286 1.00 0.00 H new ATOM 0 HD22 LEU B 27 13.615 -6.701 -0.647 1.00 0.00 H new ATOM 0 HD23 LEU B 27 13.737 -8.433 -1.035 1.00 0.00 H new ATOM 1913 N LYS B 28 14.125 -8.033 2.030 1.00 0.00 N ATOM 1914 CA LYS B 28 15.143 -7.766 3.085 1.00 0.00 C ATOM 1915 C LYS B 28 15.118 -6.283 3.458 1.00 0.00 C ATOM 1916 O LYS B 28 14.284 -5.530 2.995 1.00 0.00 O ATOM 1917 CB LYS B 28 16.530 -8.140 2.558 1.00 0.00 C ATOM 1918 CG LYS B 28 16.740 -9.648 2.701 1.00 0.00 C ATOM 1919 CD LYS B 28 18.087 -10.039 2.093 1.00 0.00 C ATOM 1920 CE LYS B 28 19.167 -9.998 3.176 1.00 0.00 C ATOM 1921 NZ LYS B 28 20.489 -10.326 2.572 1.00 0.00 N ATOM 0 H LYS B 28 14.029 -7.302 1.325 1.00 0.00 H new ATOM 0 HA LYS B 28 14.917 -8.363 3.969 1.00 0.00 H new ATOM 0 HB2 LYS B 28 16.625 -7.846 1.513 1.00 0.00 H new ATOM 0 HB3 LYS B 28 17.299 -7.601 3.112 1.00 0.00 H new ATOM 0 HG2 LYS B 28 16.709 -9.931 3.753 1.00 0.00 H new ATOM 0 HG3 LYS B 28 15.934 -10.186 2.202 1.00 0.00 H new ATOM 0 HD2 LYS B 28 18.027 -11.038 1.662 1.00 0.00 H new ATOM 0 HD3 LYS B 28 18.344 -9.357 1.282 1.00 0.00 H new ATOM 0 HE2 LYS B 28 19.200 -9.010 3.635 1.00 0.00 H new ATOM 0 HE3 LYS B 28 18.930 -10.709 3.968 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 21.223 -10.298 3.308 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 20.453 -11.278 2.154 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 20.714 -9.631 1.832 1.00 0.00 H new ATOM 1935 N LYS B 29 16.027 -5.851 4.292 1.00 0.00 N ATOM 1936 CA LYS B 29 16.050 -4.415 4.689 1.00 0.00 C ATOM 1937 C LYS B 29 16.921 -3.634 3.705 1.00 0.00 C ATOM 1938 O LYS B 29 16.746 -2.447 3.512 1.00 0.00 O ATOM 1939 CB LYS B 29 16.622 -4.281 6.102 1.00 0.00 C ATOM 1940 CG LYS B 29 15.953 -5.303 7.022 1.00 0.00 C ATOM 1941 CD LYS B 29 14.434 -5.144 6.942 1.00 0.00 C ATOM 1942 CE LYS B 29 13.816 -5.468 8.303 1.00 0.00 C ATOM 1943 NZ LYS B 29 13.229 -4.230 8.890 1.00 0.00 N ATOM 0 H LYS B 29 16.753 -6.430 4.714 1.00 0.00 H new ATOM 0 HA LYS B 29 15.036 -4.016 4.675 1.00 0.00 H new ATOM 0 HB2 LYS B 29 17.700 -4.441 6.086 1.00 0.00 H new ATOM 0 HB3 LYS B 29 16.455 -3.272 6.479 1.00 0.00 H new ATOM 0 HG2 LYS B 29 16.239 -6.313 6.730 1.00 0.00 H new ATOM 0 HG3 LYS B 29 16.291 -5.160 8.048 1.00 0.00 H new ATOM 0 HD2 LYS B 29 14.179 -4.126 6.648 1.00 0.00 H new ATOM 0 HD3 LYS B 29 14.028 -5.808 6.179 1.00 0.00 H new ATOM 0 HE2 LYS B 29 13.046 -6.231 8.192 1.00 0.00 H new ATOM 0 HE3 LYS B 29 14.575 -5.876 8.971 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 12.809 -4.450 9.815 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 13.975 -3.515 9.010 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 12.493 -3.860 8.255 1.00 0.00 H new ATOM 1957 N SER B 30 17.857 -4.292 3.077 1.00 0.00 N ATOM 1958 CA SER B 30 18.737 -3.592 2.101 1.00 0.00 C ATOM 1959 C SER B 30 18.007 -3.456 0.763 1.00 0.00 C ATOM 1960 O SER B 30 17.994 -2.402 0.159 1.00 0.00 O ATOM 1961 CB SER B 30 20.021 -4.397 1.903 1.00 0.00 C ATOM 1962 OG SER B 30 19.686 -5.742 1.587 1.00 0.00 O ATOM 0 H SER B 30 18.050 -5.286 3.199 1.00 0.00 H new ATOM 0 HA SER B 30 18.986 -2.601 2.481 1.00 0.00 H new ATOM 0 HB2 SER B 30 20.618 -3.961 1.102 1.00 0.00 H new ATOM 0 HB3 SER B 30 20.628 -4.364 2.808 1.00 0.00 H new ATOM 0 HG SER B 30 20.507 -6.262 1.457 1.00 0.00 H new ATOM 1968 N GLU B 31 17.391 -4.510 0.301 1.00 0.00 N ATOM 1969 CA GLU B 31 16.656 -4.433 -0.990 1.00 0.00 C ATOM 1970 C GLU B 31 15.358 -3.667 -0.757 1.00 0.00 C ATOM 1971 O GLU B 31 14.790 -3.096 -1.665 1.00 0.00 O ATOM 1972 CB GLU B 31 16.339 -5.846 -1.491 1.00 0.00 C ATOM 1973 CG GLU B 31 16.061 -5.808 -2.995 1.00 0.00 C ATOM 1974 CD GLU B 31 16.392 -7.169 -3.611 1.00 0.00 C ATOM 1975 OE1 GLU B 31 17.304 -7.814 -3.119 1.00 0.00 O ATOM 1976 OE2 GLU B 31 15.730 -7.545 -4.564 1.00 0.00 O ATOM 0 H GLU B 31 17.366 -5.419 0.762 1.00 0.00 H new ATOM 0 HA GLU B 31 17.264 -3.924 -1.738 1.00 0.00 H new ATOM 0 HB2 GLU B 31 17.176 -6.513 -1.283 1.00 0.00 H new ATOM 0 HB3 GLU B 31 15.474 -6.245 -0.961 1.00 0.00 H new ATOM 0 HG2 GLU B 31 15.015 -5.560 -3.176 1.00 0.00 H new ATOM 0 HG3 GLU B 31 16.660 -5.029 -3.466 1.00 0.00 H new ATOM 1983 N LEU B 32 14.897 -3.638 0.462 1.00 0.00 N ATOM 1984 CA LEU B 32 13.649 -2.892 0.770 1.00 0.00 C ATOM 1985 C LEU B 32 13.983 -1.403 0.829 1.00 0.00 C ATOM 1986 O LEU B 32 13.282 -0.572 0.286 1.00 0.00 O ATOM 1987 CB LEU B 32 13.098 -3.355 2.121 1.00 0.00 C ATOM 1988 CG LEU B 32 12.046 -2.359 2.614 1.00 0.00 C ATOM 1989 CD1 LEU B 32 10.954 -2.206 1.555 1.00 0.00 C ATOM 1990 CD2 LEU B 32 11.427 -2.877 3.915 1.00 0.00 C ATOM 0 H LEU B 32 15.333 -4.101 1.260 1.00 0.00 H new ATOM 0 HA LEU B 32 12.898 -3.076 0.002 1.00 0.00 H new ATOM 0 HB2 LEU B 32 12.657 -4.347 2.025 1.00 0.00 H new ATOM 0 HB3 LEU B 32 13.907 -3.435 2.847 1.00 0.00 H new ATOM 0 HG LEU B 32 12.515 -1.392 2.794 1.00 0.00 H new ATOM 0 HD11 LEU B 32 10.204 -1.497 1.905 1.00 0.00 H new ATOM 0 HD12 LEU B 32 11.395 -1.840 0.628 1.00 0.00 H new ATOM 0 HD13 LEU B 32 10.483 -3.173 1.376 1.00 0.00 H new ATOM 0 HD21 LEU B 32 10.677 -2.169 4.268 1.00 0.00 H new ATOM 0 HD22 LEU B 32 10.957 -3.844 3.735 1.00 0.00 H new ATOM 0 HD23 LEU B 32 12.206 -2.987 4.670 1.00 0.00 H new ATOM 2002 N LYS B 33 15.066 -1.064 1.474 1.00 0.00 N ATOM 2003 CA LYS B 33 15.473 0.364 1.563 1.00 0.00 C ATOM 2004 C LYS B 33 15.626 0.920 0.151 1.00 0.00 C ATOM 2005 O LYS B 33 15.217 2.027 -0.144 1.00 0.00 O ATOM 2006 CB LYS B 33 16.812 0.458 2.293 1.00 0.00 C ATOM 2007 CG LYS B 33 16.951 1.838 2.938 1.00 0.00 C ATOM 2008 CD LYS B 33 18.142 1.838 3.896 1.00 0.00 C ATOM 2009 CE LYS B 33 18.162 3.150 4.682 1.00 0.00 C ATOM 2010 NZ LYS B 33 18.722 4.232 3.825 1.00 0.00 N ATOM 0 H LYS B 33 15.689 -1.720 1.945 1.00 0.00 H new ATOM 0 HA LYS B 33 14.721 0.935 2.107 1.00 0.00 H new ATOM 0 HB2 LYS B 33 16.877 -0.319 3.055 1.00 0.00 H new ATOM 0 HB3 LYS B 33 17.631 0.288 1.594 1.00 0.00 H new ATOM 0 HG2 LYS B 33 17.090 2.598 2.169 1.00 0.00 H new ATOM 0 HG3 LYS B 33 16.038 2.093 3.476 1.00 0.00 H new ATOM 0 HD2 LYS B 33 18.072 0.992 4.580 1.00 0.00 H new ATOM 0 HD3 LYS B 33 19.071 1.721 3.338 1.00 0.00 H new ATOM 0 HE2 LYS B 33 17.153 3.410 5.002 1.00 0.00 H new ATOM 0 HE3 LYS B 33 18.764 3.037 5.584 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 18.736 5.125 4.358 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 19.691 3.983 3.541 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 18.130 4.345 2.977 1.00 0.00 H new ATOM 2024 N GLU B 34 16.207 0.152 -0.728 1.00 0.00 N ATOM 2025 CA GLU B 34 16.387 0.615 -2.128 1.00 0.00 C ATOM 2026 C GLU B 34 15.035 0.546 -2.834 1.00 0.00 C ATOM 2027 O GLU B 34 14.721 1.337 -3.697 1.00 0.00 O ATOM 2028 CB GLU B 34 17.415 -0.294 -2.822 1.00 0.00 C ATOM 2029 CG GLU B 34 16.730 -1.479 -3.513 1.00 0.00 C ATOM 2030 CD GLU B 34 16.334 -1.085 -4.938 1.00 0.00 C ATOM 2031 OE1 GLU B 34 17.203 -1.083 -5.794 1.00 0.00 O ATOM 2032 OE2 GLU B 34 15.168 -0.791 -5.148 1.00 0.00 O ATOM 0 H GLU B 34 16.567 -0.782 -0.533 1.00 0.00 H new ATOM 0 HA GLU B 34 16.753 1.641 -2.159 1.00 0.00 H new ATOM 0 HB2 GLU B 34 17.977 0.283 -3.556 1.00 0.00 H new ATOM 0 HB3 GLU B 34 18.132 -0.662 -2.089 1.00 0.00 H new ATOM 0 HG2 GLU B 34 17.402 -2.337 -3.536 1.00 0.00 H new ATOM 0 HG3 GLU B 34 15.847 -1.780 -2.950 1.00 0.00 H new ATOM 2039 N LEU B 35 14.240 -0.409 -2.459 1.00 0.00 N ATOM 2040 CA LEU B 35 12.901 -0.569 -3.082 1.00 0.00 C ATOM 2041 C LEU B 35 12.104 0.731 -2.930 1.00 0.00 C ATOM 2042 O LEU B 35 11.438 1.170 -3.846 1.00 0.00 O ATOM 2043 CB LEU B 35 12.160 -1.707 -2.377 1.00 0.00 C ATOM 2044 CG LEU B 35 11.504 -2.611 -3.420 1.00 0.00 C ATOM 2045 CD1 LEU B 35 10.558 -1.780 -4.285 1.00 0.00 C ATOM 2046 CD2 LEU B 35 12.584 -3.235 -4.303 1.00 0.00 C ATOM 0 H LEU B 35 14.463 -1.095 -1.738 1.00 0.00 H new ATOM 0 HA LEU B 35 13.012 -0.799 -4.142 1.00 0.00 H new ATOM 0 HB2 LEU B 35 12.854 -2.283 -1.766 1.00 0.00 H new ATOM 0 HB3 LEU B 35 11.404 -1.301 -1.705 1.00 0.00 H new ATOM 0 HG LEU B 35 10.943 -3.400 -2.919 1.00 0.00 H new ATOM 0 HD11 LEU B 35 10.088 -2.422 -5.030 1.00 0.00 H new ATOM 0 HD12 LEU B 35 9.789 -1.331 -3.656 1.00 0.00 H new ATOM 0 HD13 LEU B 35 11.121 -0.993 -4.787 1.00 0.00 H new ATOM 0 HD21 LEU B 35 12.117 -3.880 -5.047 1.00 0.00 H new ATOM 0 HD22 LEU B 35 13.143 -2.446 -4.806 1.00 0.00 H new ATOM 0 HD23 LEU B 35 13.263 -3.824 -3.686 1.00 0.00 H new ATOM 2058 N ILE B 36 12.157 1.338 -1.777 1.00 0.00 N ATOM 2059 CA ILE B 36 11.394 2.601 -1.559 1.00 0.00 C ATOM 2060 C ILE B 36 12.158 3.797 -2.136 1.00 0.00 C ATOM 2061 O ILE B 36 11.608 4.622 -2.835 1.00 0.00 O ATOM 2062 CB ILE B 36 11.181 2.823 -0.057 1.00 0.00 C ATOM 2063 CG1 ILE B 36 11.224 1.478 0.683 1.00 0.00 C ATOM 2064 CG2 ILE B 36 9.824 3.495 0.167 1.00 0.00 C ATOM 2065 CD1 ILE B 36 10.557 1.611 2.056 1.00 0.00 C ATOM 0 H ILE B 36 12.697 1.014 -0.974 1.00 0.00 H new ATOM 0 HA ILE B 36 10.432 2.514 -2.064 1.00 0.00 H new ATOM 0 HB ILE B 36 11.973 3.464 0.330 1.00 0.00 H new ATOM 0 HG12 ILE B 36 10.715 0.714 0.095 1.00 0.00 H new ATOM 0 HG13 ILE B 36 12.257 1.152 0.802 1.00 0.00 H new ATOM 0 HG21 ILE B 36 9.669 3.655 1.234 1.00 0.00 H new ATOM 0 HG22 ILE B 36 9.803 4.454 -0.350 1.00 0.00 H new ATOM 0 HG23 ILE B 36 9.032 2.855 -0.223 1.00 0.00 H new ATOM 0 HD11 ILE B 36 10.593 0.652 2.572 1.00 0.00 H new ATOM 0 HD12 ILE B 36 11.085 2.361 2.646 1.00 0.00 H new ATOM 0 HD13 ILE B 36 9.518 1.915 1.928 1.00 0.00 H new ATOM 2077 N ASN B 37 13.416 3.914 -1.823 1.00 0.00 N ATOM 2078 CA ASN B 37 14.206 5.077 -2.322 1.00 0.00 C ATOM 2079 C ASN B 37 14.598 4.893 -3.792 1.00 0.00 C ATOM 2080 O ASN B 37 15.258 5.735 -4.369 1.00 0.00 O ATOM 2081 CB ASN B 37 15.473 5.216 -1.483 1.00 0.00 C ATOM 2082 CG ASN B 37 16.124 6.574 -1.756 1.00 0.00 C ATOM 2083 OD1 ASN B 37 15.687 7.306 -2.619 1.00 0.00 O ATOM 2084 ND2 ASN B 37 17.159 6.941 -1.051 1.00 0.00 N ATOM 0 H ASN B 37 13.934 3.255 -1.242 1.00 0.00 H new ATOM 0 HA ASN B 37 13.590 5.972 -2.239 1.00 0.00 H new ATOM 0 HB2 ASN B 37 15.232 5.123 -0.424 1.00 0.00 H new ATOM 0 HB3 ASN B 37 16.170 4.413 -1.723 1.00 0.00 H new ATOM 0 HD21 ASN B 37 17.601 7.844 -1.225 1.00 0.00 H new ATOM 0 HD22 ASN B 37 17.526 6.325 -0.325 1.00 0.00 H new ATOM 2091 N ASN B 38 14.215 3.813 -4.409 1.00 0.00 N ATOM 2092 CA ASN B 38 14.591 3.616 -5.840 1.00 0.00 C ATOM 2093 C ASN B 38 13.344 3.656 -6.725 1.00 0.00 C ATOM 2094 O ASN B 38 13.120 4.604 -7.449 1.00 0.00 O ATOM 2095 CB ASN B 38 15.296 2.268 -6.011 1.00 0.00 C ATOM 2096 CG ASN B 38 16.075 2.264 -7.328 1.00 0.00 C ATOM 2097 OD1 ASN B 38 17.136 2.849 -7.419 1.00 0.00 O ATOM 2098 ND2 ASN B 38 15.591 1.627 -8.358 1.00 0.00 N ATOM 0 H ASN B 38 13.663 3.063 -3.992 1.00 0.00 H new ATOM 0 HA ASN B 38 15.265 4.419 -6.138 1.00 0.00 H new ATOM 0 HB2 ASN B 38 15.973 2.091 -5.175 1.00 0.00 H new ATOM 0 HB3 ASN B 38 14.565 1.460 -6.006 1.00 0.00 H new ATOM 0 HD21 ASN B 38 16.103 1.620 -9.240 1.00 0.00 H new ATOM 0 HD22 ASN B 38 14.700 1.136 -8.281 1.00 0.00 H new ATOM 2105 N GLU B 39 12.537 2.633 -6.684 1.00 0.00 N ATOM 2106 CA GLU B 39 11.314 2.616 -7.536 1.00 0.00 C ATOM 2107 C GLU B 39 10.175 3.350 -6.825 1.00 0.00 C ATOM 2108 O GLU B 39 9.030 3.275 -7.222 1.00 0.00 O ATOM 2109 CB GLU B 39 10.907 1.165 -7.802 1.00 0.00 C ATOM 2110 CG GLU B 39 11.963 0.500 -8.688 1.00 0.00 C ATOM 2111 CD GLU B 39 11.474 -0.882 -9.122 1.00 0.00 C ATOM 2112 OE1 GLU B 39 10.666 -1.452 -8.409 1.00 0.00 O ATOM 2113 OE2 GLU B 39 11.915 -1.347 -10.160 1.00 0.00 O ATOM 0 H GLU B 39 12.670 1.809 -6.098 1.00 0.00 H new ATOM 0 HA GLU B 39 11.522 3.117 -8.481 1.00 0.00 H new ATOM 0 HB2 GLU B 39 10.811 0.623 -6.861 1.00 0.00 H new ATOM 0 HB3 GLU B 39 9.933 1.132 -8.290 1.00 0.00 H new ATOM 0 HG2 GLU B 39 12.159 1.119 -9.564 1.00 0.00 H new ATOM 0 HG3 GLU B 39 12.903 0.410 -8.144 1.00 0.00 H new ATOM 2120 N LEU B 40 10.482 4.063 -5.777 1.00 0.00 N ATOM 2121 CA LEU B 40 9.420 4.807 -5.038 1.00 0.00 C ATOM 2122 C LEU B 40 9.853 6.266 -4.866 1.00 0.00 C ATOM 2123 O LEU B 40 9.035 7.164 -4.852 1.00 0.00 O ATOM 2124 CB LEU B 40 9.217 4.162 -3.662 1.00 0.00 C ATOM 2125 CG LEU B 40 7.738 3.838 -3.423 1.00 0.00 C ATOM 2126 CD1 LEU B 40 6.991 5.114 -3.040 1.00 0.00 C ATOM 2127 CD2 LEU B 40 7.113 3.240 -4.684 1.00 0.00 C ATOM 0 H LEU B 40 11.424 4.164 -5.399 1.00 0.00 H new ATOM 0 HA LEU B 40 8.485 4.771 -5.597 1.00 0.00 H new ATOM 0 HB2 LEU B 40 9.809 3.250 -3.593 1.00 0.00 H new ATOM 0 HB3 LEU B 40 9.576 4.835 -2.884 1.00 0.00 H new ATOM 0 HG LEU B 40 7.664 3.111 -2.614 1.00 0.00 H new ATOM 0 HD11 LEU B 40 5.939 4.883 -2.870 1.00 0.00 H new ATOM 0 HD12 LEU B 40 7.423 5.529 -2.129 1.00 0.00 H new ATOM 0 HD13 LEU B 40 7.077 5.842 -3.847 1.00 0.00 H new ATOM 0 HD21 LEU B 40 6.063 3.015 -4.498 1.00 0.00 H new ATOM 0 HD22 LEU B 40 7.192 3.955 -5.503 1.00 0.00 H new ATOM 0 HD23 LEU B 40 7.638 2.323 -4.951 1.00 0.00 H new ATOM 2139 N SER B 41 11.130 6.508 -4.736 1.00 0.00 N ATOM 2140 CA SER B 41 11.614 7.909 -4.570 1.00 0.00 C ATOM 2141 C SER B 41 11.473 8.662 -5.896 1.00 0.00 C ATOM 2142 O SER B 41 12.420 8.806 -6.643 1.00 0.00 O ATOM 2143 CB SER B 41 13.087 7.892 -4.159 1.00 0.00 C ATOM 2144 OG SER B 41 13.296 8.838 -3.120 1.00 0.00 O ATOM 0 H SER B 41 11.860 5.795 -4.738 1.00 0.00 H new ATOM 0 HA SER B 41 11.021 8.406 -3.802 1.00 0.00 H new ATOM 0 HB2 SER B 41 13.371 6.895 -3.821 1.00 0.00 H new ATOM 0 HB3 SER B 41 13.718 8.130 -5.015 1.00 0.00 H new ATOM 0 HG SER B 41 14.136 8.635 -2.657 1.00 0.00 H new ATOM 2150 N HIS B 42 10.299 9.149 -6.192 1.00 0.00 N ATOM 2151 CA HIS B 42 10.098 9.895 -7.465 1.00 0.00 C ATOM 2152 C HIS B 42 9.517 11.278 -7.153 1.00 0.00 C ATOM 2153 O HIS B 42 9.476 12.151 -7.997 1.00 0.00 O ATOM 2154 CB HIS B 42 9.130 9.120 -8.361 1.00 0.00 C ATOM 2155 CG HIS B 42 9.216 9.642 -9.770 1.00 0.00 C ATOM 2156 ND1 HIS B 42 8.091 10.016 -10.487 1.00 0.00 N ATOM 2157 CD2 HIS B 42 10.282 9.852 -10.608 1.00 0.00 C ATOM 2158 CE1 HIS B 42 8.503 10.427 -11.701 1.00 0.00 C ATOM 2159 NE2 HIS B 42 9.830 10.348 -11.827 1.00 0.00 N ATOM 0 H HIS B 42 9.469 9.062 -5.605 1.00 0.00 H new ATOM 0 HA HIS B 42 11.052 10.009 -7.979 1.00 0.00 H new ATOM 0 HB2 HIS B 42 9.372 8.057 -8.341 1.00 0.00 H new ATOM 0 HB3 HIS B 42 8.111 9.222 -7.986 1.00 0.00 H new ATOM 0 HD2 HIS B 42 11.315 9.661 -10.359 1.00 0.00 H new ATOM 0 HE1 HIS B 42 7.841 10.778 -12.479 1.00 0.00 H new ATOM 0 HE2 HIS B 42 10.391 10.597 -12.641 1.00 0.00 H new ATOM 2167 N PHE B 43 9.069 11.484 -5.943 1.00 0.00 N ATOM 2168 CA PHE B 43 8.493 12.807 -5.571 1.00 0.00 C ATOM 2169 C PHE B 43 8.981 13.189 -4.173 1.00 0.00 C ATOM 2170 O PHE B 43 8.319 13.905 -3.446 1.00 0.00 O ATOM 2171 CB PHE B 43 6.967 12.714 -5.571 1.00 0.00 C ATOM 2172 CG PHE B 43 6.545 11.422 -4.913 1.00 0.00 C ATOM 2173 CD1 PHE B 43 6.579 10.224 -5.637 1.00 0.00 C ATOM 2174 CD2 PHE B 43 6.124 11.422 -3.578 1.00 0.00 C ATOM 2175 CE1 PHE B 43 6.193 9.026 -5.027 1.00 0.00 C ATOM 2176 CE2 PHE B 43 5.738 10.223 -2.967 1.00 0.00 C ATOM 2177 CZ PHE B 43 5.772 9.026 -3.691 1.00 0.00 C ATOM 0 H PHE B 43 9.078 10.790 -5.195 1.00 0.00 H new ATOM 0 HA PHE B 43 8.809 13.563 -6.290 1.00 0.00 H new ATOM 0 HB2 PHE B 43 6.540 13.563 -5.038 1.00 0.00 H new ATOM 0 HB3 PHE B 43 6.589 12.756 -6.592 1.00 0.00 H new ATOM 0 HD1 PHE B 43 6.903 10.225 -6.667 1.00 0.00 H new ATOM 0 HD2 PHE B 43 6.097 12.346 -3.020 1.00 0.00 H new ATOM 0 HE1 PHE B 43 6.220 8.102 -5.585 1.00 0.00 H new ATOM 0 HE2 PHE B 43 5.414 10.222 -1.937 1.00 0.00 H new ATOM 0 HZ PHE B 43 5.473 8.101 -3.219 1.00 0.00 H new ATOM 2187 N LEU B 44 10.133 12.712 -3.789 1.00 0.00 N ATOM 2188 CA LEU B 44 10.665 13.040 -2.438 1.00 0.00 C ATOM 2189 C LEU B 44 11.689 14.171 -2.550 1.00 0.00 C ATOM 2190 O LEU B 44 12.425 14.261 -3.512 1.00 0.00 O ATOM 2191 CB LEU B 44 11.338 11.798 -1.848 1.00 0.00 C ATOM 2192 CG LEU B 44 11.527 11.983 -0.342 1.00 0.00 C ATOM 2193 CD1 LEU B 44 11.038 10.732 0.389 1.00 0.00 C ATOM 2194 CD2 LEU B 44 13.011 12.202 -0.039 1.00 0.00 C ATOM 0 H LEU B 44 10.729 12.108 -4.354 1.00 0.00 H new ATOM 0 HA LEU B 44 9.848 13.358 -1.791 1.00 0.00 H new ATOM 0 HB2 LEU B 44 10.729 10.915 -2.042 1.00 0.00 H new ATOM 0 HB3 LEU B 44 12.302 11.632 -2.328 1.00 0.00 H new ATOM 0 HG LEU B 44 10.955 12.848 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU B 44 11.172 10.862 1.463 1.00 0.00 H new ATOM 0 HD12 LEU B 44 9.982 10.573 0.172 1.00 0.00 H new ATOM 0 HD13 LEU B 44 11.611 9.867 0.054 1.00 0.00 H new ATOM 0 HD21 LEU B 44 13.148 12.334 1.034 1.00 0.00 H new ATOM 0 HD22 LEU B 44 13.582 11.336 -0.374 1.00 0.00 H new ATOM 0 HD23 LEU B 44 13.362 13.092 -0.562 1.00 0.00 H new ATOM 2206 N GLU B 45 11.743 15.033 -1.571 1.00 0.00 N ATOM 2207 CA GLU B 45 12.722 16.156 -1.623 1.00 0.00 C ATOM 2208 C GLU B 45 12.750 16.883 -0.276 1.00 0.00 C ATOM 2209 O GLU B 45 13.777 17.366 0.156 1.00 0.00 O ATOM 2210 CB GLU B 45 12.325 17.137 -2.729 1.00 0.00 C ATOM 2211 CG GLU B 45 10.821 17.415 -2.660 1.00 0.00 C ATOM 2212 CD GLU B 45 10.562 18.893 -2.953 1.00 0.00 C ATOM 2213 OE1 GLU B 45 10.890 19.711 -2.110 1.00 0.00 O ATOM 2214 OE2 GLU B 45 10.043 19.183 -4.018 1.00 0.00 O ATOM 0 H GLU B 45 11.153 15.008 -0.739 1.00 0.00 H new ATOM 0 HA GLU B 45 13.713 15.756 -1.835 1.00 0.00 H new ATOM 0 HB2 GLU B 45 12.882 18.068 -2.619 1.00 0.00 H new ATOM 0 HB3 GLU B 45 12.583 16.724 -3.704 1.00 0.00 H new ATOM 0 HG2 GLU B 45 10.292 16.792 -3.381 1.00 0.00 H new ATOM 0 HG3 GLU B 45 10.437 17.156 -1.673 1.00 0.00 H new ATOM 2221 N GLU B 46 11.634 16.963 0.393 1.00 0.00 N ATOM 2222 CA GLU B 46 11.601 17.655 1.708 1.00 0.00 C ATOM 2223 C GLU B 46 11.013 16.698 2.753 1.00 0.00 C ATOM 2224 O GLU B 46 11.441 16.668 3.890 1.00 0.00 O ATOM 2225 CB GLU B 46 10.749 18.934 1.573 1.00 0.00 C ATOM 2226 CG GLU B 46 9.902 19.170 2.829 1.00 0.00 C ATOM 2227 CD GLU B 46 9.734 20.673 3.059 1.00 0.00 C ATOM 2228 OE1 GLU B 46 10.165 21.433 2.209 1.00 0.00 O ATOM 2229 OE2 GLU B 46 9.177 21.037 4.082 1.00 0.00 O ATOM 0 H GLU B 46 10.742 16.577 0.084 1.00 0.00 H new ATOM 0 HA GLU B 46 12.603 17.941 2.027 1.00 0.00 H new ATOM 0 HB2 GLU B 46 11.400 19.792 1.403 1.00 0.00 H new ATOM 0 HB3 GLU B 46 10.098 18.851 0.703 1.00 0.00 H new ATOM 0 HG2 GLU B 46 8.926 18.698 2.716 1.00 0.00 H new ATOM 0 HG3 GLU B 46 10.380 18.711 3.694 1.00 0.00 H new ATOM 2236 N ILE B 47 10.039 15.918 2.376 1.00 0.00 N ATOM 2237 CA ILE B 47 9.428 14.967 3.345 1.00 0.00 C ATOM 2238 C ILE B 47 8.757 15.753 4.474 1.00 0.00 C ATOM 2239 O ILE B 47 9.412 16.396 5.269 1.00 0.00 O ATOM 2240 CB ILE B 47 10.515 14.065 3.933 1.00 0.00 C ATOM 2241 CG1 ILE B 47 11.250 13.345 2.798 1.00 0.00 C ATOM 2242 CG2 ILE B 47 9.871 13.033 4.859 1.00 0.00 C ATOM 2243 CD1 ILE B 47 12.516 12.684 3.346 1.00 0.00 C ATOM 0 H ILE B 47 9.639 15.898 1.438 1.00 0.00 H new ATOM 0 HA ILE B 47 8.686 14.355 2.833 1.00 0.00 H new ATOM 0 HB ILE B 47 11.224 14.669 4.498 1.00 0.00 H new ATOM 0 HG12 ILE B 47 10.600 12.594 2.349 1.00 0.00 H new ATOM 0 HG13 ILE B 47 11.509 14.054 2.011 1.00 0.00 H new ATOM 0 HG21 ILE B 47 10.644 12.389 5.279 1.00 0.00 H new ATOM 0 HG22 ILE B 47 9.347 13.545 5.666 1.00 0.00 H new ATOM 0 HG23 ILE B 47 9.163 12.428 4.293 1.00 0.00 H new ATOM 0 HD11 ILE B 47 13.038 12.172 2.538 1.00 0.00 H new ATOM 0 HD12 ILE B 47 13.168 13.445 3.774 1.00 0.00 H new ATOM 0 HD13 ILE B 47 12.245 11.963 4.117 1.00 0.00 H new ATOM 2255 N LYS B 48 7.456 15.705 4.554 1.00 0.00 N ATOM 2256 CA LYS B 48 6.750 16.450 5.635 1.00 0.00 C ATOM 2257 C LYS B 48 6.609 15.552 6.864 1.00 0.00 C ATOM 2258 O LYS B 48 6.849 15.970 7.980 1.00 0.00 O ATOM 2259 CB LYS B 48 5.363 16.868 5.149 1.00 0.00 C ATOM 2260 CG LYS B 48 4.630 17.606 6.272 1.00 0.00 C ATOM 2261 CD LYS B 48 5.474 18.791 6.744 1.00 0.00 C ATOM 2262 CE LYS B 48 4.709 19.563 7.822 1.00 0.00 C ATOM 2263 NZ LYS B 48 3.472 20.146 7.231 1.00 0.00 N ATOM 0 H LYS B 48 6.852 15.183 3.919 1.00 0.00 H new ATOM 0 HA LYS B 48 7.325 17.339 5.896 1.00 0.00 H new ATOM 0 HB2 LYS B 48 5.451 17.511 4.274 1.00 0.00 H new ATOM 0 HB3 LYS B 48 4.793 15.990 4.843 1.00 0.00 H new ATOM 0 HG2 LYS B 48 3.660 17.955 5.918 1.00 0.00 H new ATOM 0 HG3 LYS B 48 4.441 16.927 7.104 1.00 0.00 H new ATOM 0 HD2 LYS B 48 6.426 18.438 7.140 1.00 0.00 H new ATOM 0 HD3 LYS B 48 5.702 19.447 5.904 1.00 0.00 H new ATOM 0 HE2 LYS B 48 4.453 18.899 8.647 1.00 0.00 H new ATOM 0 HE3 LYS B 48 5.337 20.354 8.233 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 3.413 21.155 7.474 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 3.498 20.040 6.197 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 2.640 19.650 7.609 1.00 0.00 H new ATOM 2277 N GLU B 49 6.222 14.320 6.672 1.00 0.00 N ATOM 2278 CA GLU B 49 6.070 13.401 7.835 1.00 0.00 C ATOM 2279 C GLU B 49 7.444 12.881 8.251 1.00 0.00 C ATOM 2280 O GLU B 49 7.814 11.762 7.951 1.00 0.00 O ATOM 2281 CB GLU B 49 5.176 12.222 7.447 1.00 0.00 C ATOM 2282 CG GLU B 49 3.730 12.528 7.844 1.00 0.00 C ATOM 2283 CD GLU B 49 3.602 12.495 9.369 1.00 0.00 C ATOM 2284 OE1 GLU B 49 4.405 11.823 9.995 1.00 0.00 O ATOM 2285 OE2 GLU B 49 2.704 13.142 9.884 1.00 0.00 O ATOM 0 H GLU B 49 6.005 13.912 5.763 1.00 0.00 H new ATOM 0 HA GLU B 49 5.615 13.940 8.666 1.00 0.00 H new ATOM 0 HB2 GLU B 49 5.240 12.041 6.374 1.00 0.00 H new ATOM 0 HB3 GLU B 49 5.517 11.314 7.944 1.00 0.00 H new ATOM 0 HG2 GLU B 49 3.437 13.507 7.465 1.00 0.00 H new ATOM 0 HG3 GLU B 49 3.056 11.798 7.396 1.00 0.00 H new ATOM 2292 N GLN B 50 8.206 13.685 8.941 1.00 0.00 N ATOM 2293 CA GLN B 50 9.557 13.236 9.376 1.00 0.00 C ATOM 2294 C GLN B 50 9.423 12.012 10.281 1.00 0.00 C ATOM 2295 O GLN B 50 10.345 11.241 10.434 1.00 0.00 O ATOM 2296 CB GLN B 50 10.245 14.365 10.148 1.00 0.00 C ATOM 2297 CG GLN B 50 11.653 13.925 10.551 1.00 0.00 C ATOM 2298 CD GLN B 50 12.067 14.646 11.835 1.00 0.00 C ATOM 2299 OE1 GLN B 50 12.217 14.029 12.870 1.00 0.00 O ATOM 2300 NE2 GLN B 50 12.259 15.936 11.811 1.00 0.00 N ATOM 0 H GLN B 50 7.951 14.632 9.222 1.00 0.00 H new ATOM 0 HA GLN B 50 10.152 12.977 8.500 1.00 0.00 H new ATOM 0 HB2 GLN B 50 10.296 15.263 9.532 1.00 0.00 H new ATOM 0 HB3 GLN B 50 9.665 14.620 11.035 1.00 0.00 H new ATOM 0 HG2 GLN B 50 11.678 12.846 10.703 1.00 0.00 H new ATOM 0 HG3 GLN B 50 12.359 14.151 9.751 1.00 0.00 H new ATOM 0 HE21 GLN B 50 12.133 16.454 10.942 1.00 0.00 H new ATOM 0 HE22 GLN B 50 12.535 16.426 12.662 1.00 0.00 H new ATOM 2309 N GLU B 51 8.281 11.832 10.887 1.00 0.00 N ATOM 2310 CA GLU B 51 8.092 10.661 11.789 1.00 0.00 C ATOM 2311 C GLU B 51 7.796 9.406 10.961 1.00 0.00 C ATOM 2312 O GLU B 51 8.214 8.316 11.300 1.00 0.00 O ATOM 2313 CB GLU B 51 6.922 10.937 12.736 1.00 0.00 C ATOM 2314 CG GLU B 51 7.453 11.485 14.062 1.00 0.00 C ATOM 2315 CD GLU B 51 6.542 11.035 15.205 1.00 0.00 C ATOM 2316 OE1 GLU B 51 5.369 10.815 14.949 1.00 0.00 O ATOM 2317 OE2 GLU B 51 7.031 10.919 16.316 1.00 0.00 O ATOM 0 H GLU B 51 7.471 12.445 10.796 1.00 0.00 H new ATOM 0 HA GLU B 51 9.002 10.500 12.366 1.00 0.00 H new ATOM 0 HB2 GLU B 51 6.236 11.653 12.284 1.00 0.00 H new ATOM 0 HB3 GLU B 51 6.358 10.021 12.910 1.00 0.00 H new ATOM 0 HG2 GLU B 51 8.469 11.130 14.233 1.00 0.00 H new ATOM 0 HG3 GLU B 51 7.497 12.574 14.026 1.00 0.00 H new ATOM 2324 N VAL B 52 7.072 9.544 9.885 1.00 0.00 N ATOM 2325 CA VAL B 52 6.746 8.354 9.048 1.00 0.00 C ATOM 2326 C VAL B 52 7.991 7.899 8.285 1.00 0.00 C ATOM 2327 O VAL B 52 8.288 6.724 8.209 1.00 0.00 O ATOM 2328 CB VAL B 52 5.639 8.718 8.057 1.00 0.00 C ATOM 2329 CG1 VAL B 52 5.378 7.537 7.120 1.00 0.00 C ATOM 2330 CG2 VAL B 52 4.359 9.048 8.826 1.00 0.00 C ATOM 0 H VAL B 52 6.692 10.429 9.549 1.00 0.00 H new ATOM 0 HA VAL B 52 6.406 7.542 9.691 1.00 0.00 H new ATOM 0 HB VAL B 52 5.948 9.583 7.471 1.00 0.00 H new ATOM 0 HG11 VAL B 52 4.589 7.799 6.415 1.00 0.00 H new ATOM 0 HG12 VAL B 52 6.290 7.299 6.572 1.00 0.00 H new ATOM 0 HG13 VAL B 52 5.069 6.670 7.704 1.00 0.00 H new ATOM 0 HG21 VAL B 52 3.568 9.308 8.122 1.00 0.00 H new ATOM 0 HG22 VAL B 52 4.053 8.181 9.412 1.00 0.00 H new ATOM 0 HG23 VAL B 52 4.542 9.890 9.493 1.00 0.00 H new ATOM 2340 N VAL B 53 8.724 8.815 7.722 1.00 0.00 N ATOM 2341 CA VAL B 53 9.947 8.420 6.971 1.00 0.00 C ATOM 2342 C VAL B 53 11.063 8.102 7.962 1.00 0.00 C ATOM 2343 O VAL B 53 11.961 7.338 7.674 1.00 0.00 O ATOM 2344 CB VAL B 53 10.385 9.571 6.064 1.00 0.00 C ATOM 2345 CG1 VAL B 53 11.589 9.131 5.225 1.00 0.00 C ATOM 2346 CG2 VAL B 53 9.232 9.955 5.135 1.00 0.00 C ATOM 0 H VAL B 53 8.531 9.816 7.748 1.00 0.00 H new ATOM 0 HA VAL B 53 9.734 7.541 6.362 1.00 0.00 H new ATOM 0 HB VAL B 53 10.662 10.430 6.676 1.00 0.00 H new ATOM 0 HG11 VAL B 53 11.901 9.951 4.579 1.00 0.00 H new ATOM 0 HG12 VAL B 53 12.412 8.856 5.885 1.00 0.00 H new ATOM 0 HG13 VAL B 53 11.312 8.272 4.613 1.00 0.00 H new ATOM 0 HG21 VAL B 53 9.544 10.775 4.488 1.00 0.00 H new ATOM 0 HG22 VAL B 53 8.956 9.096 4.524 1.00 0.00 H new ATOM 0 HG23 VAL B 53 8.374 10.268 5.730 1.00 0.00 H new ATOM 2356 N ASP B 54 11.011 8.680 9.129 1.00 0.00 N ATOM 2357 CA ASP B 54 12.065 8.408 10.140 1.00 0.00 C ATOM 2358 C ASP B 54 11.806 7.049 10.791 1.00 0.00 C ATOM 2359 O ASP B 54 12.717 6.393 11.248 1.00 0.00 O ATOM 2360 CB ASP B 54 12.042 9.497 11.213 1.00 0.00 C ATOM 2361 CG ASP B 54 13.018 9.132 12.332 1.00 0.00 C ATOM 2362 OD1 ASP B 54 14.145 8.790 12.019 1.00 0.00 O ATOM 2363 OD2 ASP B 54 12.619 9.200 13.484 1.00 0.00 O ATOM 0 H ASP B 54 10.282 9.330 9.425 1.00 0.00 H new ATOM 0 HA ASP B 54 13.040 8.401 9.652 1.00 0.00 H new ATOM 0 HB2 ASP B 54 12.315 10.458 10.777 1.00 0.00 H new ATOM 0 HB3 ASP B 54 11.035 9.605 11.615 1.00 0.00 H new ATOM 2368 N LYS B 55 10.572 6.620 10.843 1.00 0.00 N ATOM 2369 CA LYS B 55 10.278 5.301 11.473 1.00 0.00 C ATOM 2370 C LYS B 55 10.578 4.174 10.484 1.00 0.00 C ATOM 2371 O LYS B 55 11.188 3.183 10.831 1.00 0.00 O ATOM 2372 CB LYS B 55 8.807 5.241 11.897 1.00 0.00 C ATOM 2373 CG LYS B 55 7.910 5.464 10.680 1.00 0.00 C ATOM 2374 CD LYS B 55 6.443 5.351 11.099 1.00 0.00 C ATOM 2375 CE LYS B 55 6.089 6.500 12.046 1.00 0.00 C ATOM 2376 NZ LYS B 55 5.355 5.963 13.227 1.00 0.00 N ATOM 0 H LYS B 55 9.762 7.122 10.479 1.00 0.00 H new ATOM 0 HA LYS B 55 10.908 5.180 12.354 1.00 0.00 H new ATOM 0 HB2 LYS B 55 8.588 4.274 12.350 1.00 0.00 H new ATOM 0 HB3 LYS B 55 8.605 6.000 12.653 1.00 0.00 H new ATOM 0 HG2 LYS B 55 8.101 6.447 10.249 1.00 0.00 H new ATOM 0 HG3 LYS B 55 8.136 4.728 9.908 1.00 0.00 H new ATOM 0 HD2 LYS B 55 5.800 5.380 10.219 1.00 0.00 H new ATOM 0 HD3 LYS B 55 6.267 4.394 11.591 1.00 0.00 H new ATOM 0 HE2 LYS B 55 6.996 7.011 12.370 1.00 0.00 H new ATOM 0 HE3 LYS B 55 5.476 7.237 11.527 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 5.114 6.744 13.871 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 4.482 5.494 12.910 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 5.955 5.276 13.726 1.00 0.00 H new ATOM 2390 N VAL B 56 10.165 4.308 9.251 1.00 0.00 N ATOM 2391 CA VAL B 56 10.446 3.237 8.262 1.00 0.00 C ATOM 2392 C VAL B 56 11.924 3.293 7.889 1.00 0.00 C ATOM 2393 O VAL B 56 12.610 2.291 7.860 1.00 0.00 O ATOM 2394 CB VAL B 56 9.592 3.457 7.016 1.00 0.00 C ATOM 2395 CG1 VAL B 56 8.113 3.369 7.389 1.00 0.00 C ATOM 2396 CG2 VAL B 56 9.890 4.837 6.424 1.00 0.00 C ATOM 0 H VAL B 56 9.648 5.110 8.891 1.00 0.00 H new ATOM 0 HA VAL B 56 10.208 2.262 8.688 1.00 0.00 H new ATOM 0 HB VAL B 56 9.826 2.690 6.278 1.00 0.00 H new ATOM 0 HG11 VAL B 56 7.503 3.526 6.499 1.00 0.00 H new ATOM 0 HG12 VAL B 56 7.901 2.384 7.805 1.00 0.00 H new ATOM 0 HG13 VAL B 56 7.878 4.134 8.129 1.00 0.00 H new ATOM 0 HG21 VAL B 56 9.279 4.991 5.535 1.00 0.00 H new ATOM 0 HG22 VAL B 56 9.659 5.606 7.161 1.00 0.00 H new ATOM 0 HG23 VAL B 56 10.944 4.897 6.155 1.00 0.00 H new ATOM 2406 N MET B 57 12.418 4.465 7.620 1.00 0.00 N ATOM 2407 CA MET B 57 13.854 4.613 7.267 1.00 0.00 C ATOM 2408 C MET B 57 14.699 4.177 8.463 1.00 0.00 C ATOM 2409 O MET B 57 15.831 3.769 8.318 1.00 0.00 O ATOM 2410 CB MET B 57 14.142 6.079 6.947 1.00 0.00 C ATOM 2411 CG MET B 57 15.606 6.242 6.545 1.00 0.00 C ATOM 2412 SD MET B 57 15.708 6.676 4.792 1.00 0.00 S ATOM 2413 CE MET B 57 14.531 5.447 4.177 1.00 0.00 C ATOM 0 H MET B 57 11.885 5.334 7.629 1.00 0.00 H new ATOM 0 HA MET B 57 14.094 3.998 6.400 1.00 0.00 H new ATOM 0 HB2 MET B 57 13.494 6.419 6.139 1.00 0.00 H new ATOM 0 HB3 MET B 57 13.922 6.700 7.815 1.00 0.00 H new ATOM 0 HG2 MET B 57 16.076 7.017 7.150 1.00 0.00 H new ATOM 0 HG3 MET B 57 16.151 5.317 6.733 1.00 0.00 H new ATOM 0 HE1 MET B 57 14.609 5.380 3.092 1.00 0.00 H new ATOM 0 HE2 MET B 57 14.755 4.476 4.618 1.00 0.00 H new ATOM 0 HE3 MET B 57 13.519 5.744 4.450 1.00 0.00 H new ATOM 2423 N GLU B 58 14.152 4.256 9.648 1.00 0.00 N ATOM 2424 CA GLU B 58 14.927 3.834 10.850 1.00 0.00 C ATOM 2425 C GLU B 58 14.985 2.309 10.889 1.00 0.00 C ATOM 2426 O GLU B 58 16.046 1.721 10.906 1.00 0.00 O ATOM 2427 CB GLU B 58 14.250 4.349 12.122 1.00 0.00 C ATOM 2428 CG GLU B 58 14.887 5.675 12.539 1.00 0.00 C ATOM 2429 CD GLU B 58 14.218 6.186 13.818 1.00 0.00 C ATOM 2430 OE1 GLU B 58 13.087 5.803 14.065 1.00 0.00 O ATOM 2431 OE2 GLU B 58 14.850 6.950 14.529 1.00 0.00 O ATOM 0 H GLU B 58 13.207 4.593 9.834 1.00 0.00 H new ATOM 0 HA GLU B 58 15.934 4.247 10.795 1.00 0.00 H new ATOM 0 HB2 GLU B 58 13.182 4.485 11.949 1.00 0.00 H new ATOM 0 HB3 GLU B 58 14.352 3.617 12.923 1.00 0.00 H new ATOM 0 HG2 GLU B 58 15.956 5.540 12.704 1.00 0.00 H new ATOM 0 HG3 GLU B 58 14.778 6.409 11.741 1.00 0.00 H new ATOM 2438 N THR B 59 13.851 1.660 10.886 1.00 0.00 N ATOM 2439 CA THR B 59 13.855 0.173 10.904 1.00 0.00 C ATOM 2440 C THR B 59 14.666 -0.314 9.706 1.00 0.00 C ATOM 2441 O THR B 59 15.236 -1.387 9.708 1.00 0.00 O ATOM 2442 CB THR B 59 12.418 -0.344 10.796 1.00 0.00 C ATOM 2443 OG1 THR B 59 11.537 0.575 11.428 1.00 0.00 O ATOM 2444 CG2 THR B 59 12.311 -1.708 11.476 1.00 0.00 C ATOM 0 H THR B 59 12.928 2.095 10.872 1.00 0.00 H new ATOM 0 HA THR B 59 14.294 -0.194 11.832 1.00 0.00 H new ATOM 0 HB THR B 59 12.146 -0.444 9.745 1.00 0.00 H new ATOM 0 HG1 THR B 59 11.314 1.297 10.804 1.00 0.00 H new ATOM 0 HG21 THR B 59 11.287 -2.074 11.398 1.00 0.00 H new ATOM 0 HG22 THR B 59 12.986 -2.411 10.989 1.00 0.00 H new ATOM 0 HG23 THR B 59 12.583 -1.613 12.527 1.00 0.00 H new ATOM 2452 N LEU B 60 14.723 0.492 8.684 1.00 0.00 N ATOM 2453 CA LEU B 60 15.492 0.126 7.466 1.00 0.00 C ATOM 2454 C LEU B 60 16.986 0.127 7.794 1.00 0.00 C ATOM 2455 O LEU B 60 17.672 -0.861 7.622 1.00 0.00 O ATOM 2456 CB LEU B 60 15.195 1.163 6.379 1.00 0.00 C ATOM 2457 CG LEU B 60 14.029 0.677 5.520 1.00 0.00 C ATOM 2458 CD1 LEU B 60 13.617 1.782 4.546 1.00 0.00 C ATOM 2459 CD2 LEU B 60 14.455 -0.565 4.733 1.00 0.00 C ATOM 0 H LEU B 60 14.263 1.401 8.642 1.00 0.00 H new ATOM 0 HA LEU B 60 15.207 -0.867 7.118 1.00 0.00 H new ATOM 0 HB2 LEU B 60 14.951 2.123 6.834 1.00 0.00 H new ATOM 0 HB3 LEU B 60 16.078 1.319 5.759 1.00 0.00 H new ATOM 0 HG LEU B 60 13.185 0.427 6.163 1.00 0.00 H new ATOM 0 HD11 LEU B 60 12.785 1.435 3.933 1.00 0.00 H new ATOM 0 HD12 LEU B 60 13.311 2.666 5.106 1.00 0.00 H new ATOM 0 HD13 LEU B 60 14.461 2.034 3.903 1.00 0.00 H new ATOM 0 HD21 LEU B 60 13.622 -0.911 4.120 1.00 0.00 H new ATOM 0 HD22 LEU B 60 15.300 -0.317 4.090 1.00 0.00 H new ATOM 0 HD23 LEU B 60 14.747 -1.353 5.427 1.00 0.00 H new ATOM 2471 N ASP B 61 17.490 1.233 8.268 1.00 0.00 N ATOM 2472 CA ASP B 61 18.936 1.315 8.615 1.00 0.00 C ATOM 2473 C ASP B 61 19.173 0.692 9.993 1.00 0.00 C ATOM 2474 O ASP B 61 20.279 0.684 10.497 1.00 0.00 O ATOM 2475 CB ASP B 61 19.359 2.785 8.647 1.00 0.00 C ATOM 2476 CG ASP B 61 20.690 2.947 7.912 1.00 0.00 C ATOM 2477 OD1 ASP B 61 20.794 2.458 6.798 1.00 0.00 O ATOM 2478 OD2 ASP B 61 21.584 3.557 8.476 1.00 0.00 O ATOM 0 H ASP B 61 16.959 2.088 8.431 1.00 0.00 H new ATOM 0 HA ASP B 61 19.520 0.775 7.870 1.00 0.00 H new ATOM 0 HB2 ASP B 61 18.595 3.405 8.179 1.00 0.00 H new ATOM 0 HB3 ASP B 61 19.457 3.124 9.678 1.00 0.00 H new ATOM 2483 N GLU B 62 18.146 0.179 10.610 1.00 0.00 N ATOM 2484 CA GLU B 62 18.315 -0.433 11.957 1.00 0.00 C ATOM 2485 C GLU B 62 18.872 -1.847 11.814 1.00 0.00 C ATOM 2486 O GLU B 62 19.853 -2.205 12.436 1.00 0.00 O ATOM 2487 CB GLU B 62 16.960 -0.482 12.666 1.00 0.00 C ATOM 2488 CG GLU B 62 17.151 -0.960 14.106 1.00 0.00 C ATOM 2489 CD GLU B 62 15.880 -0.680 14.910 1.00 0.00 C ATOM 2490 OE1 GLU B 62 14.962 -1.479 14.827 1.00 0.00 O ATOM 2491 OE2 GLU B 62 15.844 0.330 15.594 1.00 0.00 O ATOM 0 H GLU B 62 17.196 0.157 10.239 1.00 0.00 H new ATOM 0 HA GLU B 62 19.010 0.167 12.544 1.00 0.00 H new ATOM 0 HB2 GLU B 62 16.498 0.505 12.658 1.00 0.00 H new ATOM 0 HB3 GLU B 62 16.285 -1.154 12.136 1.00 0.00 H new ATOM 0 HG2 GLU B 62 17.375 -2.027 14.120 1.00 0.00 H new ATOM 0 HG3 GLU B 62 18.001 -0.450 14.560 1.00 0.00 H new ATOM 2498 N ASP B 63 18.254 -2.654 11.002 1.00 0.00 N ATOM 2499 CA ASP B 63 18.747 -4.048 10.820 1.00 0.00 C ATOM 2500 C ASP B 63 19.707 -4.103 9.632 1.00 0.00 C ATOM 2501 O ASP B 63 20.861 -4.454 9.768 1.00 0.00 O ATOM 2502 CB ASP B 63 17.561 -4.980 10.563 1.00 0.00 C ATOM 2503 CG ASP B 63 17.427 -5.967 11.723 1.00 0.00 C ATOM 2504 OD1 ASP B 63 17.355 -5.515 12.855 1.00 0.00 O ATOM 2505 OD2 ASP B 63 17.397 -7.158 11.462 1.00 0.00 O ATOM 0 H ASP B 63 17.428 -2.410 10.455 1.00 0.00 H new ATOM 0 HA ASP B 63 19.270 -4.366 11.722 1.00 0.00 H new ATOM 0 HB2 ASP B 63 16.645 -4.399 10.458 1.00 0.00 H new ATOM 0 HB3 ASP B 63 17.705 -5.520 9.627 1.00 0.00 H new ATOM 2510 N GLY B 64 19.238 -3.756 8.469 1.00 0.00 N ATOM 2511 CA GLY B 64 20.121 -3.787 7.268 1.00 0.00 C ATOM 2512 C GLY B 64 20.109 -5.190 6.661 1.00 0.00 C ATOM 2513 O GLY B 64 19.851 -5.369 5.487 1.00 0.00 O ATOM 0 H GLY B 64 18.280 -3.451 8.295 1.00 0.00 H new ATOM 0 HA2 GLY B 64 19.779 -3.059 6.533 1.00 0.00 H new ATOM 0 HA3 GLY B 64 21.138 -3.508 7.544 1.00 0.00 H new ATOM 2517 N ASP B 65 20.386 -6.191 7.451 1.00 0.00 N ATOM 2518 CA ASP B 65 20.387 -7.581 6.916 1.00 0.00 C ATOM 2519 C ASP B 65 19.169 -8.334 7.455 1.00 0.00 C ATOM 2520 O ASP B 65 19.213 -9.526 7.679 1.00 0.00 O ATOM 2521 CB ASP B 65 21.665 -8.300 7.351 1.00 0.00 C ATOM 2522 CG ASP B 65 21.906 -9.504 6.438 1.00 0.00 C ATOM 2523 OD1 ASP B 65 22.340 -9.295 5.317 1.00 0.00 O ATOM 2524 OD2 ASP B 65 21.652 -10.614 6.874 1.00 0.00 O ATOM 0 H ASP B 65 20.611 -6.106 8.442 1.00 0.00 H new ATOM 0 HA ASP B 65 20.345 -7.549 5.827 1.00 0.00 H new ATOM 0 HB2 ASP B 65 22.514 -7.618 7.303 1.00 0.00 H new ATOM 0 HB3 ASP B 65 21.577 -8.627 8.387 1.00 0.00 H new ATOM 2529 N GLY B 66 18.081 -7.644 7.666 1.00 0.00 N ATOM 2530 CA GLY B 66 16.861 -8.317 8.190 1.00 0.00 C ATOM 2531 C GLY B 66 16.013 -8.820 7.021 1.00 0.00 C ATOM 2532 O GLY B 66 16.367 -8.657 5.870 1.00 0.00 O ATOM 0 H GLY B 66 17.985 -6.643 7.498 1.00 0.00 H new ATOM 0 HA2 GLY B 66 17.141 -9.150 8.835 1.00 0.00 H new ATOM 0 HA3 GLY B 66 16.283 -7.622 8.800 1.00 0.00 H new ATOM 2536 N GLU B 67 14.896 -9.431 7.305 1.00 0.00 N ATOM 2537 CA GLU B 67 14.030 -9.943 6.207 1.00 0.00 C ATOM 2538 C GLU B 67 12.635 -9.323 6.322 1.00 0.00 C ATOM 2539 O GLU B 67 12.021 -9.342 7.370 1.00 0.00 O ATOM 2540 CB GLU B 67 13.923 -11.466 6.308 1.00 0.00 C ATOM 2541 CG GLU B 67 13.861 -11.878 7.780 1.00 0.00 C ATOM 2542 CD GLU B 67 13.012 -13.143 7.921 1.00 0.00 C ATOM 2543 OE1 GLU B 67 12.735 -13.763 6.907 1.00 0.00 O ATOM 2544 OE2 GLU B 67 12.654 -13.471 9.040 1.00 0.00 O ATOM 0 H GLU B 67 14.546 -9.598 8.249 1.00 0.00 H new ATOM 0 HA GLU B 67 14.467 -9.673 5.246 1.00 0.00 H new ATOM 0 HB2 GLU B 67 13.033 -11.814 5.784 1.00 0.00 H new ATOM 0 HB3 GLU B 67 14.780 -11.934 5.824 1.00 0.00 H new ATOM 0 HG2 GLU B 67 14.866 -12.058 8.161 1.00 0.00 H new ATOM 0 HG3 GLU B 67 13.434 -11.072 8.376 1.00 0.00 H new ATOM 2551 N CYS B 68 12.130 -8.778 5.249 1.00 0.00 N ATOM 2552 CA CYS B 68 10.775 -8.162 5.293 1.00 0.00 C ATOM 2553 C CYS B 68 9.749 -9.165 4.771 1.00 0.00 C ATOM 2554 O CYS B 68 10.064 -10.035 3.982 1.00 0.00 O ATOM 2555 CB CYS B 68 10.755 -6.908 4.417 1.00 0.00 C ATOM 2556 SG CYS B 68 11.119 -5.455 5.434 1.00 0.00 S ATOM 0 H CYS B 68 12.598 -8.733 4.344 1.00 0.00 H new ATOM 0 HA CYS B 68 10.530 -7.889 6.320 1.00 0.00 H new ATOM 0 HB2 CYS B 68 11.490 -6.999 3.617 1.00 0.00 H new ATOM 0 HB3 CYS B 68 9.780 -6.798 3.943 1.00 0.00 H new ATOM 0 HG CYS B 68 10.111 -4.635 5.396 1.00 0.00 H new ATOM 2562 N ASP B 69 8.526 -9.055 5.203 1.00 0.00 N ATOM 2563 CA ASP B 69 7.487 -10.007 4.726 1.00 0.00 C ATOM 2564 C ASP B 69 6.829 -9.446 3.465 1.00 0.00 C ATOM 2565 O ASP B 69 7.359 -8.566 2.818 1.00 0.00 O ATOM 2566 CB ASP B 69 6.433 -10.196 5.820 1.00 0.00 C ATOM 2567 CG ASP B 69 7.100 -10.765 7.072 1.00 0.00 C ATOM 2568 OD1 ASP B 69 8.218 -11.240 6.959 1.00 0.00 O ATOM 2569 OD2 ASP B 69 6.482 -10.718 8.124 1.00 0.00 O ATOM 0 H ASP B 69 8.201 -8.349 5.864 1.00 0.00 H new ATOM 0 HA ASP B 69 7.945 -10.969 4.497 1.00 0.00 H new ATOM 0 HB2 ASP B 69 5.956 -9.243 6.049 1.00 0.00 H new ATOM 0 HB3 ASP B 69 5.649 -10.870 5.473 1.00 0.00 H new ATOM 2574 N PHE B 70 5.676 -9.942 3.114 1.00 0.00 N ATOM 2575 CA PHE B 70 4.992 -9.423 1.892 1.00 0.00 C ATOM 2576 C PHE B 70 4.059 -8.281 2.291 1.00 0.00 C ATOM 2577 O PHE B 70 4.022 -7.245 1.656 1.00 0.00 O ATOM 2578 CB PHE B 70 4.182 -10.529 1.197 1.00 0.00 C ATOM 2579 CG PHE B 70 3.967 -11.705 2.124 1.00 0.00 C ATOM 2580 CD1 PHE B 70 4.943 -12.703 2.228 1.00 0.00 C ATOM 2581 CD2 PHE B 70 2.789 -11.798 2.874 1.00 0.00 C ATOM 2582 CE1 PHE B 70 4.741 -13.794 3.081 1.00 0.00 C ATOM 2583 CE2 PHE B 70 2.587 -12.888 3.729 1.00 0.00 C ATOM 2584 CZ PHE B 70 3.564 -13.886 3.832 1.00 0.00 C ATOM 0 H PHE B 70 5.179 -10.679 3.614 1.00 0.00 H new ATOM 0 HA PHE B 70 5.749 -9.067 1.193 1.00 0.00 H new ATOM 0 HB2 PHE B 70 3.219 -10.133 0.876 1.00 0.00 H new ATOM 0 HB3 PHE B 70 4.705 -10.859 0.300 1.00 0.00 H new ATOM 0 HD1 PHE B 70 5.852 -12.631 1.650 1.00 0.00 H new ATOM 0 HD2 PHE B 70 2.035 -11.029 2.793 1.00 0.00 H new ATOM 0 HE1 PHE B 70 5.493 -14.565 3.160 1.00 0.00 H new ATOM 0 HE2 PHE B 70 1.679 -12.959 4.309 1.00 0.00 H new ATOM 0 HZ PHE B 70 3.409 -14.727 4.491 1.00 0.00 H new ATOM 2594 N GLN B 71 3.308 -8.456 3.341 1.00 0.00 N ATOM 2595 CA GLN B 71 2.386 -7.377 3.782 1.00 0.00 C ATOM 2596 C GLN B 71 3.197 -6.276 4.467 1.00 0.00 C ATOM 2597 O GLN B 71 2.764 -5.149 4.583 1.00 0.00 O ATOM 2598 CB GLN B 71 1.361 -7.954 4.761 1.00 0.00 C ATOM 2599 CG GLN B 71 2.015 -8.191 6.125 1.00 0.00 C ATOM 2600 CD GLN B 71 1.366 -7.274 7.165 1.00 0.00 C ATOM 2601 OE1 GLN B 71 1.181 -7.661 8.302 1.00 0.00 O ATOM 2602 NE2 GLN B 71 1.011 -6.066 6.822 1.00 0.00 N ATOM 0 H GLN B 71 3.294 -9.301 3.913 1.00 0.00 H new ATOM 0 HA GLN B 71 1.863 -6.960 2.921 1.00 0.00 H new ATOM 0 HB2 GLN B 71 0.520 -7.268 4.866 1.00 0.00 H new ATOM 0 HB3 GLN B 71 0.962 -8.891 4.372 1.00 0.00 H new ATOM 0 HG2 GLN B 71 1.899 -9.234 6.420 1.00 0.00 H new ATOM 0 HG3 GLN B 71 3.085 -7.993 6.067 1.00 0.00 H new ATOM 0 HE21 GLN B 71 1.166 -5.740 5.868 1.00 0.00 H new ATOM 0 HE22 GLN B 71 0.579 -5.447 7.508 1.00 0.00 H new ATOM 2611 N GLU B 72 4.375 -6.602 4.918 1.00 0.00 N ATOM 2612 CA GLU B 72 5.227 -5.583 5.590 1.00 0.00 C ATOM 2613 C GLU B 72 5.850 -4.670 4.532 1.00 0.00 C ATOM 2614 O GLU B 72 5.697 -3.466 4.569 1.00 0.00 O ATOM 2615 CB GLU B 72 6.333 -6.287 6.381 1.00 0.00 C ATOM 2616 CG GLU B 72 5.871 -6.502 7.824 1.00 0.00 C ATOM 2617 CD GLU B 72 6.874 -5.864 8.786 1.00 0.00 C ATOM 2618 OE1 GLU B 72 8.019 -6.284 8.780 1.00 0.00 O ATOM 2619 OE2 GLU B 72 6.479 -4.968 9.515 1.00 0.00 O ATOM 0 H GLU B 72 4.786 -7.533 4.850 1.00 0.00 H new ATOM 0 HA GLU B 72 4.621 -4.987 6.272 1.00 0.00 H new ATOM 0 HB2 GLU B 72 6.573 -7.244 5.918 1.00 0.00 H new ATOM 0 HB3 GLU B 72 7.244 -5.688 6.365 1.00 0.00 H new ATOM 0 HG2 GLU B 72 4.884 -6.064 7.969 1.00 0.00 H new ATOM 0 HG3 GLU B 72 5.780 -7.568 8.032 1.00 0.00 H new ATOM 2626 N PHE B 73 6.547 -5.237 3.584 1.00 0.00 N ATOM 2627 CA PHE B 73 7.172 -4.405 2.519 1.00 0.00 C ATOM 2628 C PHE B 73 6.067 -3.657 1.760 1.00 0.00 C ATOM 2629 O PHE B 73 6.305 -2.645 1.133 1.00 0.00 O ATOM 2630 CB PHE B 73 7.968 -5.329 1.573 1.00 0.00 C ATOM 2631 CG PHE B 73 7.855 -4.864 0.137 1.00 0.00 C ATOM 2632 CD1 PHE B 73 8.775 -3.944 -0.376 1.00 0.00 C ATOM 2633 CD2 PHE B 73 6.827 -5.354 -0.677 1.00 0.00 C ATOM 2634 CE1 PHE B 73 8.667 -3.513 -1.703 1.00 0.00 C ATOM 2635 CE2 PHE B 73 6.719 -4.923 -2.003 1.00 0.00 C ATOM 2636 CZ PHE B 73 7.640 -4.002 -2.516 1.00 0.00 C ATOM 0 H PHE B 73 6.710 -6.241 3.502 1.00 0.00 H new ATOM 0 HA PHE B 73 7.855 -3.672 2.948 1.00 0.00 H new ATOM 0 HB2 PHE B 73 9.016 -5.345 1.872 1.00 0.00 H new ATOM 0 HB3 PHE B 73 7.596 -6.350 1.659 1.00 0.00 H new ATOM 0 HD1 PHE B 73 9.569 -3.566 0.252 1.00 0.00 H new ATOM 0 HD2 PHE B 73 6.117 -6.065 -0.281 1.00 0.00 H new ATOM 0 HE1 PHE B 73 9.377 -2.802 -2.099 1.00 0.00 H new ATOM 0 HE2 PHE B 73 5.925 -5.300 -2.631 1.00 0.00 H new ATOM 0 HZ PHE B 73 7.557 -3.669 -3.540 1.00 0.00 H new ATOM 2646 N MET B 74 4.863 -4.154 1.810 1.00 0.00 N ATOM 2647 CA MET B 74 3.743 -3.482 1.092 1.00 0.00 C ATOM 2648 C MET B 74 3.255 -2.281 1.907 1.00 0.00 C ATOM 2649 O MET B 74 3.149 -1.180 1.404 1.00 0.00 O ATOM 2650 CB MET B 74 2.597 -4.481 0.913 1.00 0.00 C ATOM 2651 CG MET B 74 2.414 -4.792 -0.573 1.00 0.00 C ATOM 2652 SD MET B 74 0.742 -4.328 -1.083 1.00 0.00 S ATOM 2653 CE MET B 74 1.192 -2.846 -2.016 1.00 0.00 C ATOM 0 H MET B 74 4.605 -5.000 2.319 1.00 0.00 H new ATOM 0 HA MET B 74 4.086 -3.135 0.117 1.00 0.00 H new ATOM 0 HB2 MET B 74 2.811 -5.397 1.463 1.00 0.00 H new ATOM 0 HB3 MET B 74 1.675 -4.070 1.325 1.00 0.00 H new ATOM 0 HG2 MET B 74 3.150 -4.247 -1.163 1.00 0.00 H new ATOM 0 HG3 MET B 74 2.581 -5.853 -0.757 1.00 0.00 H new ATOM 0 HE1 MET B 74 0.593 -2.003 -1.672 1.00 0.00 H new ATOM 0 HE2 MET B 74 2.249 -2.626 -1.863 1.00 0.00 H new ATOM 0 HE3 MET B 74 1.006 -3.014 -3.077 1.00 0.00 H new ATOM 2663 N ALA B 75 2.960 -2.484 3.160 1.00 0.00 N ATOM 2664 CA ALA B 75 2.481 -1.356 4.008 1.00 0.00 C ATOM 2665 C ALA B 75 3.631 -0.374 4.234 1.00 0.00 C ATOM 2666 O ALA B 75 3.432 0.745 4.663 1.00 0.00 O ATOM 2667 CB ALA B 75 1.998 -1.903 5.354 1.00 0.00 C ATOM 0 H ALA B 75 3.030 -3.384 3.635 1.00 0.00 H new ATOM 0 HA ALA B 75 1.658 -0.843 3.511 1.00 0.00 H new ATOM 0 HB1 ALA B 75 1.647 -1.080 5.976 1.00 0.00 H new ATOM 0 HB2 ALA B 75 1.182 -2.607 5.189 1.00 0.00 H new ATOM 0 HB3 ALA B 75 2.821 -2.412 5.856 1.00 0.00 H new ATOM 2673 N PHE B 76 4.835 -0.788 3.944 1.00 0.00 N ATOM 2674 CA PHE B 76 6.004 0.113 4.135 1.00 0.00 C ATOM 2675 C PHE B 76 6.093 1.086 2.959 1.00 0.00 C ATOM 2676 O PHE B 76 6.488 2.226 3.109 1.00 0.00 O ATOM 2677 CB PHE B 76 7.281 -0.727 4.202 1.00 0.00 C ATOM 2678 CG PHE B 76 7.933 -0.543 5.551 1.00 0.00 C ATOM 2679 CD1 PHE B 76 7.188 -0.747 6.720 1.00 0.00 C ATOM 2680 CD2 PHE B 76 9.278 -0.170 5.634 1.00 0.00 C ATOM 2681 CE1 PHE B 76 7.791 -0.576 7.971 1.00 0.00 C ATOM 2682 CE2 PHE B 76 9.880 0.000 6.886 1.00 0.00 C ATOM 2683 CZ PHE B 76 9.136 -0.203 8.054 1.00 0.00 C ATOM 0 H PHE B 76 5.058 -1.715 3.582 1.00 0.00 H new ATOM 0 HA PHE B 76 5.887 0.675 5.062 1.00 0.00 H new ATOM 0 HB2 PHE B 76 7.046 -1.779 4.040 1.00 0.00 H new ATOM 0 HB3 PHE B 76 7.968 -0.428 3.410 1.00 0.00 H new ATOM 0 HD1 PHE B 76 6.149 -1.036 6.656 1.00 0.00 H new ATOM 0 HD2 PHE B 76 9.852 -0.013 4.733 1.00 0.00 H new ATOM 0 HE1 PHE B 76 7.217 -0.732 8.873 1.00 0.00 H new ATOM 0 HE2 PHE B 76 10.919 0.288 6.951 1.00 0.00 H new ATOM 0 HZ PHE B 76 9.601 -0.071 9.020 1.00 0.00 H new ATOM 2693 N VAL B 77 5.723 0.643 1.788 1.00 0.00 N ATOM 2694 CA VAL B 77 5.780 1.534 0.597 1.00 0.00 C ATOM 2695 C VAL B 77 4.632 2.544 0.660 1.00 0.00 C ATOM 2696 O VAL B 77 4.716 3.624 0.114 1.00 0.00 O ATOM 2697 CB VAL B 77 5.644 0.683 -0.666 1.00 0.00 C ATOM 2698 CG1 VAL B 77 5.474 1.592 -1.884 1.00 0.00 C ATOM 2699 CG2 VAL B 77 6.902 -0.170 -0.843 1.00 0.00 C ATOM 0 H VAL B 77 5.383 -0.301 1.606 1.00 0.00 H new ATOM 0 HA VAL B 77 6.729 2.070 0.580 1.00 0.00 H new ATOM 0 HB VAL B 77 4.772 0.036 -0.572 1.00 0.00 H new ATOM 0 HG11 VAL B 77 5.377 0.982 -2.782 1.00 0.00 H new ATOM 0 HG12 VAL B 77 4.579 2.201 -1.761 1.00 0.00 H new ATOM 0 HG13 VAL B 77 6.345 2.241 -1.978 1.00 0.00 H new ATOM 0 HG21 VAL B 77 6.806 -0.777 -1.743 1.00 0.00 H new ATOM 0 HG22 VAL B 77 7.772 0.480 -0.935 1.00 0.00 H new ATOM 0 HG23 VAL B 77 7.025 -0.821 0.022 1.00 0.00 H new ATOM 2709 N SER B 78 3.557 2.196 1.311 1.00 0.00 N ATOM 2710 CA SER B 78 2.397 3.134 1.394 1.00 0.00 C ATOM 2711 C SER B 78 2.664 4.233 2.430 1.00 0.00 C ATOM 2712 O SER B 78 2.288 5.373 2.246 1.00 0.00 O ATOM 2713 CB SER B 78 1.148 2.355 1.801 1.00 0.00 C ATOM 2714 OG SER B 78 0.884 1.352 0.829 1.00 0.00 O ATOM 0 H SER B 78 3.429 1.304 1.789 1.00 0.00 H new ATOM 0 HA SER B 78 2.251 3.598 0.418 1.00 0.00 H new ATOM 0 HB2 SER B 78 1.292 1.900 2.781 1.00 0.00 H new ATOM 0 HB3 SER B 78 0.296 3.029 1.885 1.00 0.00 H new ATOM 0 HG SER B 78 0.075 0.859 1.079 1.00 0.00 H new ATOM 2720 N MET B 79 3.292 3.902 3.524 1.00 0.00 N ATOM 2721 CA MET B 79 3.558 4.927 4.570 1.00 0.00 C ATOM 2722 C MET B 79 4.548 5.977 4.055 1.00 0.00 C ATOM 2723 O MET B 79 4.472 7.135 4.414 1.00 0.00 O ATOM 2724 CB MET B 79 4.141 4.239 5.802 1.00 0.00 C ATOM 2725 CG MET B 79 3.273 3.038 6.176 1.00 0.00 C ATOM 2726 SD MET B 79 2.578 3.286 7.828 1.00 0.00 S ATOM 2727 CE MET B 79 3.520 1.985 8.661 1.00 0.00 C ATOM 0 H MET B 79 3.633 2.965 3.738 1.00 0.00 H new ATOM 0 HA MET B 79 2.623 5.427 4.825 1.00 0.00 H new ATOM 0 HB2 MET B 79 5.162 3.914 5.601 1.00 0.00 H new ATOM 0 HB3 MET B 79 4.188 4.940 6.635 1.00 0.00 H new ATOM 0 HG2 MET B 79 2.472 2.914 5.448 1.00 0.00 H new ATOM 0 HG3 MET B 79 3.868 2.125 6.154 1.00 0.00 H new ATOM 0 HE1 MET B 79 3.246 1.956 9.716 1.00 0.00 H new ATOM 0 HE2 MET B 79 3.296 1.022 8.201 1.00 0.00 H new ATOM 0 HE3 MET B 79 4.586 2.192 8.569 1.00 0.00 H new ATOM 2737 N VAL B 80 5.481 5.588 3.230 1.00 0.00 N ATOM 2738 CA VAL B 80 6.469 6.575 2.717 1.00 0.00 C ATOM 2739 C VAL B 80 5.853 7.379 1.571 1.00 0.00 C ATOM 2740 O VAL B 80 6.054 8.572 1.462 1.00 0.00 O ATOM 2741 CB VAL B 80 7.725 5.851 2.231 1.00 0.00 C ATOM 2742 CG1 VAL B 80 8.528 5.365 3.441 1.00 0.00 C ATOM 2743 CG2 VAL B 80 7.345 4.655 1.352 1.00 0.00 C ATOM 0 H VAL B 80 5.601 4.633 2.891 1.00 0.00 H new ATOM 0 HA VAL B 80 6.743 7.257 3.522 1.00 0.00 H new ATOM 0 HB VAL B 80 8.327 6.541 1.640 1.00 0.00 H new ATOM 0 HG11 VAL B 80 9.425 4.848 3.099 1.00 0.00 H new ATOM 0 HG12 VAL B 80 8.814 6.219 4.055 1.00 0.00 H new ATOM 0 HG13 VAL B 80 7.918 4.681 4.032 1.00 0.00 H new ATOM 0 HG21 VAL B 80 8.250 4.150 1.014 1.00 0.00 H new ATOM 0 HG22 VAL B 80 6.735 3.959 1.928 1.00 0.00 H new ATOM 0 HG23 VAL B 80 6.780 5.004 0.488 1.00 0.00 H new ATOM 2753 N THR B 81 5.096 6.743 0.721 1.00 0.00 N ATOM 2754 CA THR B 81 4.462 7.486 -0.403 1.00 0.00 C ATOM 2755 C THR B 81 3.522 8.541 0.181 1.00 0.00 C ATOM 2756 O THR B 81 3.094 9.454 -0.495 1.00 0.00 O ATOM 2757 CB THR B 81 3.654 6.520 -1.277 1.00 0.00 C ATOM 2758 OG1 THR B 81 4.365 5.300 -1.437 1.00 0.00 O ATOM 2759 CG2 THR B 81 3.411 7.150 -2.647 1.00 0.00 C ATOM 0 H THR B 81 4.890 5.745 0.756 1.00 0.00 H new ATOM 0 HA THR B 81 5.232 7.958 -1.013 1.00 0.00 H new ATOM 0 HB THR B 81 2.698 6.317 -0.793 1.00 0.00 H new ATOM 0 HG1 THR B 81 4.288 4.766 -0.619 1.00 0.00 H new ATOM 0 HG21 THR B 81 2.836 6.462 -3.267 1.00 0.00 H new ATOM 0 HG22 THR B 81 2.855 8.080 -2.526 1.00 0.00 H new ATOM 0 HG23 THR B 81 4.367 7.358 -3.127 1.00 0.00 H new ATOM 2767 N THR B 82 3.199 8.413 1.438 1.00 0.00 N ATOM 2768 CA THR B 82 2.287 9.391 2.085 1.00 0.00 C ATOM 2769 C THR B 82 3.101 10.337 2.968 1.00 0.00 C ATOM 2770 O THR B 82 2.631 11.378 3.381 1.00 0.00 O ATOM 2771 CB THR B 82 1.278 8.629 2.946 1.00 0.00 C ATOM 2772 OG1 THR B 82 0.560 7.713 2.131 1.00 0.00 O ATOM 2773 CG2 THR B 82 0.304 9.614 3.589 1.00 0.00 C ATOM 0 H THR B 82 3.532 7.666 2.048 1.00 0.00 H new ATOM 0 HA THR B 82 1.762 9.970 1.325 1.00 0.00 H new ATOM 0 HB THR B 82 1.807 8.084 3.728 1.00 0.00 H new ATOM 0 HG1 THR B 82 1.048 6.864 2.085 1.00 0.00 H new ATOM 0 HG21 THR B 82 -0.414 9.068 4.202 1.00 0.00 H new ATOM 0 HG22 THR B 82 0.856 10.316 4.215 1.00 0.00 H new ATOM 0 HG23 THR B 82 -0.226 10.162 2.810 1.00 0.00 H new ATOM 2781 N ALA B 83 4.318 9.977 3.266 1.00 0.00 N ATOM 2782 CA ALA B 83 5.164 10.848 4.127 1.00 0.00 C ATOM 2783 C ALA B 83 5.973 11.811 3.255 1.00 0.00 C ATOM 2784 O ALA B 83 7.185 11.849 3.318 1.00 0.00 O ATOM 2785 CB ALA B 83 6.119 9.977 4.947 1.00 0.00 C ATOM 0 H ALA B 83 4.764 9.116 2.950 1.00 0.00 H new ATOM 0 HA ALA B 83 4.525 11.422 4.797 1.00 0.00 H new ATOM 0 HB1 ALA B 83 6.740 10.613 5.578 1.00 0.00 H new ATOM 0 HB2 ALA B 83 5.543 9.295 5.573 1.00 0.00 H new ATOM 0 HB3 ALA B 83 6.755 9.402 4.274 1.00 0.00 H new ATOM 2791 N CYS B 84 5.313 12.595 2.447 1.00 0.00 N ATOM 2792 CA CYS B 84 6.046 13.560 1.580 1.00 0.00 C ATOM 2793 C CYS B 84 5.605 14.984 1.929 1.00 0.00 C ATOM 2794 O CYS B 84 4.961 15.215 2.932 1.00 0.00 O ATOM 2795 CB CYS B 84 5.729 13.277 0.110 1.00 0.00 C ATOM 2796 SG CYS B 84 7.256 12.855 -0.769 1.00 0.00 S ATOM 0 H CYS B 84 4.298 12.609 2.350 1.00 0.00 H new ATOM 0 HA CYS B 84 7.118 13.454 1.744 1.00 0.00 H new ATOM 0 HB2 CYS B 84 5.014 12.458 0.033 1.00 0.00 H new ATOM 0 HB3 CYS B 84 5.264 14.150 -0.347 1.00 0.00 H new ATOM 0 HG CYS B 84 6.996 11.979 -1.694 1.00 0.00 H new ATOM 2802 N HIS B 85 5.943 15.940 1.108 1.00 0.00 N ATOM 2803 CA HIS B 85 5.537 17.344 1.399 1.00 0.00 C ATOM 2804 C HIS B 85 4.026 17.400 1.628 1.00 0.00 C ATOM 2805 O HIS B 85 3.362 16.384 1.699 1.00 0.00 O ATOM 2806 CB HIS B 85 5.905 18.238 0.212 1.00 0.00 C ATOM 2807 CG HIS B 85 5.326 17.661 -1.051 1.00 0.00 C ATOM 2808 ND1 HIS B 85 6.060 17.558 -2.222 1.00 0.00 N ATOM 2809 CD2 HIS B 85 4.085 17.149 -1.341 1.00 0.00 C ATOM 2810 CE1 HIS B 85 5.264 17.003 -3.154 1.00 0.00 C ATOM 2811 NE2 HIS B 85 4.049 16.734 -2.669 1.00 0.00 N ATOM 0 H HIS B 85 6.481 15.811 0.251 1.00 0.00 H new ATOM 0 HA HIS B 85 6.054 17.694 2.292 1.00 0.00 H new ATOM 0 HB2 HIS B 85 5.524 19.247 0.371 1.00 0.00 H new ATOM 0 HB3 HIS B 85 6.989 18.317 0.125 1.00 0.00 H new ATOM 0 HD1 HIS B 85 7.028 17.850 -2.354 1.00 0.00 H new ATOM 0 HD2 HIS B 85 3.262 17.079 -0.645 1.00 0.00 H new ATOM 0 HE1 HIS B 85 5.570 16.800 -4.170 1.00 0.00 H new ATOM 2819 N GLU B 86 3.475 18.578 1.747 1.00 0.00 N ATOM 2820 CA GLU B 86 2.006 18.691 1.971 1.00 0.00 C ATOM 2821 C GLU B 86 1.275 17.738 1.026 1.00 0.00 C ATOM 2822 O GLU B 86 1.085 18.027 -0.139 1.00 0.00 O ATOM 2823 CB GLU B 86 1.554 20.127 1.695 1.00 0.00 C ATOM 2824 CG GLU B 86 0.404 20.489 2.636 1.00 0.00 C ATOM 2825 CD GLU B 86 0.916 21.419 3.738 1.00 0.00 C ATOM 2826 OE1 GLU B 86 1.494 20.916 4.688 1.00 0.00 O ATOM 2827 OE2 GLU B 86 0.721 22.616 3.616 1.00 0.00 O ATOM 0 H GLU B 86 3.977 19.464 1.699 1.00 0.00 H new ATOM 0 HA GLU B 86 1.775 18.431 3.004 1.00 0.00 H new ATOM 0 HB2 GLU B 86 2.386 20.816 1.839 1.00 0.00 H new ATOM 0 HB3 GLU B 86 1.234 20.226 0.658 1.00 0.00 H new ATOM 0 HG2 GLU B 86 -0.396 20.976 2.078 1.00 0.00 H new ATOM 0 HG3 GLU B 86 -0.018 19.585 3.076 1.00 0.00 H new ATOM 2834 N PHE B 87 0.861 16.601 1.515 1.00 0.00 N ATOM 2835 CA PHE B 87 0.142 15.634 0.640 1.00 0.00 C ATOM 2836 C PHE B 87 1.033 15.262 -0.549 1.00 0.00 C ATOM 2837 O PHE B 87 2.241 15.220 -0.440 1.00 0.00 O ATOM 2838 CB PHE B 87 -1.147 16.280 0.132 1.00 0.00 C ATOM 2839 CG PHE B 87 -2.175 15.207 -0.129 1.00 0.00 C ATOM 2840 CD1 PHE B 87 -2.394 14.202 0.819 1.00 0.00 C ATOM 2841 CD2 PHE B 87 -2.906 15.217 -1.322 1.00 0.00 C ATOM 2842 CE1 PHE B 87 -3.344 13.205 0.574 1.00 0.00 C ATOM 2843 CE2 PHE B 87 -3.856 14.219 -1.569 1.00 0.00 C ATOM 2844 CZ PHE B 87 -4.076 13.212 -0.620 1.00 0.00 C ATOM 0 H PHE B 87 0.990 16.301 2.481 1.00 0.00 H new ATOM 0 HA PHE B 87 -0.098 14.734 1.206 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -1.525 16.990 0.867 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -0.950 16.841 -0.782 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -1.830 14.196 1.740 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -2.737 15.995 -2.052 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -3.513 12.429 1.306 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -4.419 14.225 -2.491 1.00 0.00 H new ATOM 0 HZ PHE B 87 -4.809 12.442 -0.809 1.00 0.00 H new ATOM 2854 N PHE B 88 0.446 14.994 -1.684 1.00 0.00 N ATOM 2855 CA PHE B 88 1.260 14.627 -2.877 1.00 0.00 C ATOM 2856 C PHE B 88 1.198 15.764 -3.899 1.00 0.00 C ATOM 2857 O PHE B 88 0.813 15.568 -5.035 1.00 0.00 O ATOM 2858 CB PHE B 88 0.706 13.345 -3.511 1.00 0.00 C ATOM 2859 CG PHE B 88 0.066 12.483 -2.448 1.00 0.00 C ATOM 2860 CD1 PHE B 88 0.716 12.273 -1.228 1.00 0.00 C ATOM 2861 CD2 PHE B 88 -1.180 11.893 -2.688 1.00 0.00 C ATOM 2862 CE1 PHE B 88 0.121 11.472 -0.246 1.00 0.00 C ATOM 2863 CE2 PHE B 88 -1.776 11.092 -1.706 1.00 0.00 C ATOM 2864 CZ PHE B 88 -1.125 10.881 -0.485 1.00 0.00 C ATOM 0 H PHE B 88 -0.562 15.013 -1.836 1.00 0.00 H new ATOM 0 HA PHE B 88 2.293 14.460 -2.571 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -0.026 13.595 -4.279 1.00 0.00 H new ATOM 0 HB3 PHE B 88 1.509 12.796 -4.003 1.00 0.00 H new ATOM 0 HD1 PHE B 88 1.677 12.729 -1.043 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -1.682 12.055 -3.630 1.00 0.00 H new ATOM 0 HE1 PHE B 88 0.624 11.310 0.696 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -2.738 10.637 -1.891 1.00 0.00 H new ATOM 0 HZ PHE B 88 -1.584 10.263 0.272 1.00 0.00 H new ATOM 2874 N GLU B 89 1.572 16.951 -3.506 1.00 0.00 N ATOM 2875 CA GLU B 89 1.530 18.095 -4.457 1.00 0.00 C ATOM 2876 C GLU B 89 2.543 17.864 -5.578 1.00 0.00 C ATOM 2877 O GLU B 89 3.708 18.184 -5.454 1.00 0.00 O ATOM 2878 CB GLU B 89 1.870 19.391 -3.719 1.00 0.00 C ATOM 2879 CG GLU B 89 1.401 20.587 -4.551 1.00 0.00 C ATOM 2880 CD GLU B 89 0.857 21.674 -3.623 1.00 0.00 C ATOM 2881 OE1 GLU B 89 1.028 21.543 -2.422 1.00 0.00 O ATOM 2882 OE2 GLU B 89 0.276 22.620 -4.128 1.00 0.00 O ATOM 0 H GLU B 89 1.904 17.177 -2.568 1.00 0.00 H new ATOM 0 HA GLU B 89 0.529 18.175 -4.882 1.00 0.00 H new ATOM 0 HB2 GLU B 89 1.389 19.403 -2.741 1.00 0.00 H new ATOM 0 HB3 GLU B 89 2.944 19.453 -3.546 1.00 0.00 H new ATOM 0 HG2 GLU B 89 2.229 20.979 -5.142 1.00 0.00 H new ATOM 0 HG3 GLU B 89 0.629 20.274 -5.253 1.00 0.00 H new ATOM 2889 N HIS B 90 2.105 17.307 -6.671 1.00 0.00 N ATOM 2890 CA HIS B 90 3.033 17.050 -7.805 1.00 0.00 C ATOM 2891 C HIS B 90 2.788 18.087 -8.904 1.00 0.00 C ATOM 2892 O HIS B 90 3.670 18.407 -9.675 1.00 0.00 O ATOM 2893 CB HIS B 90 2.779 15.639 -8.350 1.00 0.00 C ATOM 2894 CG HIS B 90 3.372 15.502 -9.726 1.00 0.00 C ATOM 2895 ND1 HIS B 90 2.604 15.606 -10.875 1.00 0.00 N ATOM 2896 CD2 HIS B 90 4.657 15.276 -10.153 1.00 0.00 C ATOM 2897 CE1 HIS B 90 3.426 15.447 -11.928 1.00 0.00 C ATOM 2898 NE2 HIS B 90 4.689 15.243 -11.545 1.00 0.00 N ATOM 0 H HIS B 90 1.140 17.017 -6.828 1.00 0.00 H new ATOM 0 HA HIS B 90 4.066 17.126 -7.467 1.00 0.00 H new ATOM 0 HB2 HIS B 90 3.217 14.898 -7.681 1.00 0.00 H new ATOM 0 HB3 HIS B 90 1.708 15.442 -8.386 1.00 0.00 H new ATOM 0 HD2 HIS B 90 5.513 15.144 -9.508 1.00 0.00 H new ATOM 0 HE1 HIS B 90 3.104 15.480 -12.958 1.00 0.00 H new ATOM 0 HE2 HIS B 90 5.502 15.095 -12.143 1.00 0.00 H new ATOM 2906 N GLU B 91 1.597 18.614 -8.981 1.00 0.00 N ATOM 2907 CA GLU B 91 1.300 19.628 -10.030 1.00 0.00 C ATOM 2908 C GLU B 91 0.930 20.957 -9.365 1.00 0.00 C ATOM 2909 O GLU B 91 0.957 21.965 -10.048 1.00 0.00 O ATOM 2910 CB GLU B 91 0.133 19.144 -10.893 1.00 0.00 C ATOM 2911 CG GLU B 91 0.100 19.939 -12.200 1.00 0.00 C ATOM 2912 CD GLU B 91 1.414 19.730 -12.957 1.00 0.00 C ATOM 2913 OE1 GLU B 91 1.622 18.636 -13.457 1.00 0.00 O ATOM 2914 OE2 GLU B 91 2.189 20.669 -13.025 1.00 0.00 O ATOM 2915 OXT GLU B 91 0.626 20.941 -8.183 1.00 0.00 O ATOM 0 H GLU B 91 0.818 18.386 -8.363 1.00 0.00 H new ATOM 0 HA GLU B 91 2.180 19.770 -10.658 1.00 0.00 H new ATOM 0 HB2 GLU B 91 0.240 18.080 -11.105 1.00 0.00 H new ATOM 0 HB3 GLU B 91 -0.807 19.269 -10.355 1.00 0.00 H new ATOM 0 HG2 GLU B 91 -0.741 19.616 -12.814 1.00 0.00 H new ATOM 0 HG3 GLU B 91 -0.047 20.998 -11.990 1.00 0.00 H new TER 2922 GLU B 91