USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1070 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 116 MET CE :methyl 147:sc= -0.0194 (180deg=0) USER MOD Set 1.2: A 120 LYS NZ :NH3+ -179:sc= -0.0116 (180deg=0) USER MOD Set 2.1: A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 100 SER OG : rot -110:sc= -0.394 USER MOD Single : A 1 SER N :NH3+ -145:sc=-0.00339 (180deg=-0.471) USER MOD Single : A 1 SER OG : rot 51:sc= 0.462 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN :FLIP amide:sc= -1.35 F(o=-3.1!,f=-1.3) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 11 ASN : amide:sc= -4.63! C(o=-4.6!,f=-9.3!) USER MOD Single : A 14 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.067) USER MOD Single : A 16 MET CE :methyl 140:sc= -5.84! (180deg=-12.1!) USER MOD Single : A 18 GLN : amide:sc= -1.65 K(o=-1.7,f=-2.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -121:sc= -0.766 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc=-0.00352 X(o=-0.0035,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.114) USER MOD Single : A 41 TYR OH : rot 30:sc= -1.02 USER MOD Single : A 43 MET CE :methyl -104:sc= -0.107 (180deg=-0.616) USER MOD Single : A 44 THR OG1 : rot 61:sc= 0.724 USER MOD Single : A 53 ASN : amide:sc= -0.486 X(o=-0.49,f=-0.062) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -8.26! C(o=-8.3!,f=-14!) USER MOD Single : A 69 HIS : no HD1:sc= -0.248 K(o=-0.25,f=-2.4!) USER MOD Single : A 70 HIS :FLIP no HE2:sc= -2.96! C(o=-4.4!,f=-3!) USER MOD Single : A 72 ASN : amide:sc=-0.00886 K(o=-0.0089,f=-1.3) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -114:sc= -12.9! (180deg=-24!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -5.91! C(o=-5.9!,f=-7!) USER MOD Single : A 85 THR OG1 : rot 180:sc= -1.48! USER MOD Single : A 86 MET CE :methyl -108:sc= -6.77! (180deg=-12.4!) USER MOD Single : A 88 GLN :FLIP amide:sc= 0 F(o=-2.7!,f=0) USER MOD Single : A 89 GLN : amide:sc= -0.455 K(o=-0.45,f=-4.4!) USER MOD Single : A 95 HIS : no HD1:sc= -5.37! C(o=-5.4!,f=-6.3!) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 137:sc= -1.06 (180deg=-2.34!) USER MOD Single : A 111 THR OG1 : rot -130:sc= -1.72 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HE2:sc= -6.48! C(o=-6.5!,f=-9.1!) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN :FLIP amide:sc= -0.322 F(o=-1.7,f=-0.32) USER MOD Single : A 130 ASN : amide:sc= -0.0609 X(o=-0.061,f=-0.013) USER MOD Single : A 131 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.882 -11.050 -16.964 1.00 0.00 N ATOM 2 CA SER A 1 -10.325 -10.499 -15.696 1.00 0.00 C ATOM 3 C SER A 1 -9.420 -10.995 -14.566 1.00 0.00 C ATOM 4 O SER A 1 -9.751 -11.957 -13.876 1.00 0.00 O ATOM 5 CB SER A 1 -11.782 -10.873 -15.409 1.00 0.00 C ATOM 6 OG SER A 1 -11.989 -12.281 -15.450 1.00 0.00 O ATOM 0 H1 SER A 1 -10.033 -10.350 -17.718 1.00 0.00 H new ATOM 0 H2 SER A 1 -8.870 -11.284 -16.906 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.425 -11.911 -17.177 1.00 0.00 H new ATOM 0 HA SER A 1 -10.262 -9.412 -15.756 1.00 0.00 H new ATOM 0 HB2 SER A 1 -12.067 -10.493 -14.428 1.00 0.00 H new ATOM 0 HB3 SER A 1 -12.431 -10.390 -16.139 1.00 0.00 H new ATOM 0 HG SER A 1 -11.324 -12.726 -14.884 1.00 0.00 H new ATOM 12 N PRO A 2 -8.264 -10.296 -14.408 1.00 0.00 N ATOM 13 CA PRO A 2 -7.307 -10.655 -13.374 1.00 0.00 C ATOM 14 C PRO A 2 -7.802 -10.216 -11.994 1.00 0.00 C ATOM 15 O PRO A 2 -8.980 -9.913 -11.821 1.00 0.00 O ATOM 16 CB PRO A 2 -6.010 -9.977 -13.784 1.00 0.00 C ATOM 17 CG PRO A 2 -6.404 -8.891 -14.772 1.00 0.00 C ATOM 18 CD PRO A 2 -7.838 -9.151 -15.206 1.00 0.00 C ATOM 0 HA PRO A 2 -7.166 -11.732 -13.287 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -5.500 -9.552 -12.919 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -5.323 -10.690 -14.240 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.317 -7.907 -14.312 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -5.737 -8.899 -15.634 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.471 -8.283 -15.023 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -7.896 -9.368 -16.273 1.00 0.00 H new ATOM 26 N GLU A 3 -6.874 -10.197 -11.047 1.00 0.00 N ATOM 27 CA GLU A 3 -7.201 -9.800 -9.689 1.00 0.00 C ATOM 28 C GLU A 3 -7.868 -8.424 -9.683 1.00 0.00 C ATOM 29 O GLU A 3 -8.619 -8.098 -8.766 1.00 0.00 O ATOM 30 CB GLU A 3 -5.955 -9.810 -8.800 1.00 0.00 C ATOM 31 CG GLU A 3 -5.362 -11.217 -8.702 1.00 0.00 C ATOM 32 CD GLU A 3 -6.075 -12.037 -7.626 1.00 0.00 C ATOM 33 OE1 GLU A 3 -7.287 -12.284 -7.811 1.00 0.00 O ATOM 34 OE2 GLU A 3 -5.394 -12.399 -6.643 1.00 0.00 O ATOM 0 H GLU A 3 -5.897 -10.450 -11.194 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.905 -10.524 -9.280 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.210 -9.125 -9.205 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.212 -9.450 -7.804 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.449 -11.720 -9.665 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.299 -11.152 -8.471 1.00 0.00 H new ATOM 41 N ILE A 4 -7.569 -7.652 -10.719 1.00 0.00 N ATOM 42 CA ILE A 4 -8.130 -6.317 -10.844 1.00 0.00 C ATOM 43 C ILE A 4 -9.658 -6.409 -10.833 1.00 0.00 C ATOM 44 O ILE A 4 -10.330 -5.551 -10.262 1.00 0.00 O ATOM 45 CB ILE A 4 -7.566 -5.615 -12.081 1.00 0.00 C ATOM 46 CG1 ILE A 4 -6.072 -5.897 -12.238 1.00 0.00 C ATOM 47 CG2 ILE A 4 -7.865 -4.114 -12.041 1.00 0.00 C ATOM 48 CD1 ILE A 4 -5.342 -5.752 -10.901 1.00 0.00 C ATOM 0 H ILE A 4 -6.946 -7.926 -11.479 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.841 -5.699 -9.994 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.064 -6.021 -12.962 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.928 -6.905 -12.628 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.643 -5.209 -12.967 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -7.454 -3.637 -12.931 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.943 -3.958 -12.011 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -7.411 -3.676 -11.152 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.281 -5.958 -11.042 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.468 -4.736 -10.526 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -5.757 -6.458 -10.182 1.00 0.00 H new ATOM 60 N MET A 5 -10.162 -7.457 -11.467 1.00 0.00 N ATOM 61 CA MET A 5 -11.597 -7.670 -11.536 1.00 0.00 C ATOM 62 C MET A 5 -12.160 -8.061 -10.168 1.00 0.00 C ATOM 63 O MET A 5 -13.373 -8.187 -10.004 1.00 0.00 O ATOM 64 CB MET A 5 -11.900 -8.778 -12.547 1.00 0.00 C ATOM 65 CG MET A 5 -13.393 -8.824 -12.879 1.00 0.00 C ATOM 66 SD MET A 5 -13.671 -8.191 -14.526 1.00 0.00 S ATOM 67 CE MET A 5 -15.228 -7.353 -14.276 1.00 0.00 C ATOM 0 H MET A 5 -9.602 -8.168 -11.938 1.00 0.00 H new ATOM 0 HA MET A 5 -12.069 -6.739 -11.850 1.00 0.00 H new ATOM 0 HB2 MET A 5 -11.326 -8.610 -13.458 1.00 0.00 H new ATOM 0 HB3 MET A 5 -11.584 -9.740 -12.143 1.00 0.00 H new ATOM 0 HG2 MET A 5 -13.759 -9.848 -12.807 1.00 0.00 H new ATOM 0 HG3 MET A 5 -13.954 -8.234 -12.154 1.00 0.00 H new ATOM 0 HE1 MET A 5 -15.550 -6.897 -15.212 1.00 0.00 H new ATOM 0 HE2 MET A 5 -15.978 -8.071 -13.945 1.00 0.00 H new ATOM 0 HE3 MET A 5 -15.107 -6.579 -13.518 1.00 0.00 H new ATOM 77 N LYS A 6 -11.252 -8.239 -9.219 1.00 0.00 N ATOM 78 CA LYS A 6 -11.643 -8.611 -7.870 1.00 0.00 C ATOM 79 C LYS A 6 -11.096 -7.579 -6.882 1.00 0.00 C ATOM 80 O LYS A 6 -9.905 -7.575 -6.578 1.00 0.00 O ATOM 81 CB LYS A 6 -11.208 -10.045 -7.563 1.00 0.00 C ATOM 82 CG LYS A 6 -12.421 -10.945 -7.314 1.00 0.00 C ATOM 83 CD LYS A 6 -12.033 -12.175 -6.491 1.00 0.00 C ATOM 84 CE LYS A 6 -12.543 -12.056 -5.053 1.00 0.00 C ATOM 85 NZ LYS A 6 -13.237 -13.298 -4.646 1.00 0.00 N ATOM 0 H LYS A 6 -10.247 -8.132 -9.358 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.729 -8.603 -7.772 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.624 -10.438 -8.395 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.559 -10.052 -6.687 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -13.194 -10.382 -6.791 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.846 -11.260 -8.267 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.445 -13.072 -6.954 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.949 -12.288 -6.488 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.708 -11.861 -4.380 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.223 -11.208 -4.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.577 -13.201 -3.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.045 -13.467 -5.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.577 -14.100 -4.705 1.00 0.00 H new ATOM 99 N ASN A 7 -11.994 -6.727 -6.409 1.00 0.00 N ATOM 100 CA ASN A 7 -11.616 -5.691 -5.462 1.00 0.00 C ATOM 101 C ASN A 7 -12.472 -5.824 -4.200 1.00 0.00 C ATOM 102 O ASN A 7 -13.659 -6.136 -4.280 1.00 0.00 O ATOM 103 CB ASN A 7 -11.850 -4.298 -6.046 1.00 0.00 C ATOM 104 CG ASN A 7 -13.343 -3.967 -6.097 1.00 0.00 C ATOM 105 OD1 ASN A 7 -13.765 -3.216 -5.083 1.00 0.00 O flip ATOM 106 ND2 ASN A 7 -14.064 -4.367 -6.995 1.00 0.00 N flip ATOM 0 H ASN A 7 -12.982 -6.733 -6.664 1.00 0.00 H new ATOM 0 HA ASN A 7 -10.557 -5.813 -5.234 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -11.330 -3.555 -5.442 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -11.428 -4.245 -7.050 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.676 -4.940 -7.744 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -15.056 -4.128 -6.997 1.00 0.00 H new ATOM 113 N LEU A 8 -11.835 -5.581 -3.064 1.00 0.00 N ATOM 114 CA LEU A 8 -12.524 -5.669 -1.786 1.00 0.00 C ATOM 115 C LEU A 8 -13.701 -4.693 -1.777 1.00 0.00 C ATOM 116 O LEU A 8 -13.842 -3.877 -2.687 1.00 0.00 O ATOM 117 CB LEU A 8 -11.540 -5.457 -0.633 1.00 0.00 C ATOM 118 CG LEU A 8 -11.910 -6.124 0.693 1.00 0.00 C ATOM 119 CD1 LEU A 8 -12.724 -5.175 1.577 1.00 0.00 C ATOM 120 CD2 LEU A 8 -12.636 -7.450 0.457 1.00 0.00 C ATOM 0 H LEU A 8 -10.850 -5.323 -3.001 1.00 0.00 H new ATOM 0 HA LEU A 8 -12.938 -6.667 -1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.562 -5.826 -0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.436 -4.386 -0.462 1.00 0.00 H new ATOM 0 HG LEU A 8 -10.988 -6.352 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.974 -5.674 2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.137 -4.281 1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.641 -4.893 1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -12.887 -7.903 1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -13.550 -7.269 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -11.989 -8.124 -0.104 1.00 0.00 H new ATOM 132 N SER A 9 -14.517 -4.808 -0.740 1.00 0.00 N ATOM 133 CA SER A 9 -15.678 -3.946 -0.602 1.00 0.00 C ATOM 134 C SER A 9 -15.279 -2.488 -0.842 1.00 0.00 C ATOM 135 O SER A 9 -15.398 -1.983 -1.957 1.00 0.00 O ATOM 136 CB SER A 9 -16.316 -4.101 0.781 1.00 0.00 C ATOM 137 OG SER A 9 -16.937 -5.373 0.943 1.00 0.00 O ATOM 0 H SER A 9 -14.397 -5.485 0.013 1.00 0.00 H new ATOM 0 HA SER A 9 -16.415 -4.242 -1.349 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.554 -3.969 1.549 1.00 0.00 H new ATOM 0 HB3 SER A 9 -17.056 -3.315 0.929 1.00 0.00 H new ATOM 0 HG SER A 9 -17.331 -5.433 1.838 1.00 0.00 H new ATOM 143 N ASN A 10 -14.813 -1.853 0.223 1.00 0.00 N ATOM 144 CA ASN A 10 -14.395 -0.464 0.143 1.00 0.00 C ATOM 145 C ASN A 10 -12.925 -0.353 0.550 1.00 0.00 C ATOM 146 O ASN A 10 -12.169 0.419 -0.041 1.00 0.00 O ATOM 147 CB ASN A 10 -15.215 0.414 1.089 1.00 0.00 C ATOM 148 CG ASN A 10 -16.697 0.396 0.708 1.00 0.00 C ATOM 149 OD1 ASN A 10 -16.930 0.675 -0.571 1.00 0.00 O flip ATOM 150 ND2 ASN A 10 -17.571 0.145 1.521 1.00 0.00 N flip ATOM 0 H ASN A 10 -14.716 -2.275 1.146 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.545 -0.126 -0.883 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.095 0.062 2.113 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -14.840 1.437 1.058 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -17.323 -0.061 2.489 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -18.549 0.141 1.233 1.00 0.00 H new ATOM 157 N ASN A 11 -12.562 -1.134 1.556 1.00 0.00 N ATOM 158 CA ASN A 11 -11.195 -1.133 2.050 1.00 0.00 C ATOM 159 C ASN A 11 -10.237 -0.889 0.884 1.00 0.00 C ATOM 160 O ASN A 11 -9.215 -0.221 1.044 1.00 0.00 O ATOM 161 CB ASN A 11 -10.838 -2.480 2.682 1.00 0.00 C ATOM 162 CG ASN A 11 -9.324 -2.705 2.674 1.00 0.00 C ATOM 163 OD1 ASN A 11 -8.543 -1.866 3.095 1.00 0.00 O ATOM 164 ND2 ASN A 11 -8.955 -3.880 2.171 1.00 0.00 N ATOM 0 H ASN A 11 -13.191 -1.772 2.043 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.107 -0.348 2.801 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.209 -2.515 3.706 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.332 -3.284 2.136 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.966 -4.125 2.120 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.661 -4.536 1.836 1.00 0.00 H new ATOM 171 N PHE A 12 -10.599 -1.443 -0.265 1.00 0.00 N ATOM 172 CA PHE A 12 -9.784 -1.293 -1.458 1.00 0.00 C ATOM 173 C PHE A 12 -10.530 -0.503 -2.536 1.00 0.00 C ATOM 174 O PHE A 12 -10.158 0.626 -2.853 1.00 0.00 O ATOM 175 CB PHE A 12 -9.496 -2.702 -1.982 1.00 0.00 C ATOM 176 CG PHE A 12 -8.209 -3.319 -1.428 1.00 0.00 C ATOM 177 CD1 PHE A 12 -7.001 -2.923 -1.915 1.00 0.00 C ATOM 178 CD2 PHE A 12 -8.273 -4.265 -0.454 1.00 0.00 C ATOM 179 CE1 PHE A 12 -5.808 -3.497 -1.402 1.00 0.00 C ATOM 180 CE2 PHE A 12 -7.078 -4.838 0.059 1.00 0.00 C ATOM 181 CZ PHE A 12 -5.872 -4.442 -0.427 1.00 0.00 C ATOM 0 H PHE A 12 -11.446 -1.996 -0.394 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.868 -0.753 -1.218 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.335 -3.351 -1.732 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -9.432 -2.669 -3.070 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.950 -2.173 -2.691 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.232 -4.581 -0.070 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.849 -3.183 -1.787 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.128 -5.588 0.835 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.964 -4.879 -0.038 1.00 0.00 H new ATOM 191 N GLY A 13 -11.568 -1.128 -3.071 1.00 0.00 N ATOM 192 CA GLY A 13 -12.368 -0.500 -4.107 1.00 0.00 C ATOM 193 C GLY A 13 -12.600 0.981 -3.798 1.00 0.00 C ATOM 194 O GLY A 13 -12.643 1.810 -4.705 1.00 0.00 O ATOM 0 H GLY A 13 -11.874 -2.064 -2.806 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.867 -0.600 -5.070 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -13.326 -1.012 -4.192 1.00 0.00 H new ATOM 198 N LYS A 14 -12.742 1.268 -2.511 1.00 0.00 N ATOM 199 CA LYS A 14 -12.967 2.634 -2.070 1.00 0.00 C ATOM 200 C LYS A 14 -11.628 3.370 -1.995 1.00 0.00 C ATOM 201 O LYS A 14 -11.479 4.453 -2.559 1.00 0.00 O ATOM 202 CB LYS A 14 -13.752 2.650 -0.757 1.00 0.00 C ATOM 203 CG LYS A 14 -14.288 4.052 -0.455 1.00 0.00 C ATOM 204 CD LYS A 14 -13.391 4.775 0.551 1.00 0.00 C ATOM 205 CE LYS A 14 -13.533 4.168 1.949 1.00 0.00 C ATOM 206 NZ LYS A 14 -14.811 4.586 2.567 1.00 0.00 N ATOM 0 H LYS A 14 -12.706 0.578 -1.761 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.584 3.170 -2.791 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.581 1.945 -0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.110 2.319 0.059 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.346 4.630 -1.377 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.301 3.981 -0.059 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.352 4.713 0.228 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.652 5.833 0.582 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.491 3.081 1.886 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.699 4.483 2.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.818 4.310 3.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.912 5.618 2.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.602 4.124 2.075 1.00 0.00 H new ATOM 220 N ALA A 15 -10.689 2.751 -1.297 1.00 0.00 N ATOM 221 CA ALA A 15 -9.366 3.333 -1.140 1.00 0.00 C ATOM 222 C ALA A 15 -8.759 3.585 -2.522 1.00 0.00 C ATOM 223 O ALA A 15 -8.172 4.639 -2.763 1.00 0.00 O ATOM 224 CB ALA A 15 -8.499 2.410 -0.282 1.00 0.00 C ATOM 0 H ALA A 15 -10.817 1.852 -0.833 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.427 4.292 -0.626 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.507 2.847 -0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.959 2.286 0.698 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.412 1.438 -0.767 1.00 0.00 H new ATOM 230 N MET A 16 -8.920 2.599 -3.392 1.00 0.00 N ATOM 231 CA MET A 16 -8.395 2.701 -4.744 1.00 0.00 C ATOM 232 C MET A 16 -9.137 3.773 -5.541 1.00 0.00 C ATOM 233 O MET A 16 -8.522 4.545 -6.275 1.00 0.00 O ATOM 234 CB MET A 16 -8.534 1.349 -5.448 1.00 0.00 C ATOM 235 CG MET A 16 -7.869 0.236 -4.638 1.00 0.00 C ATOM 236 SD MET A 16 -6.092 0.394 -4.729 1.00 0.00 S ATOM 237 CE MET A 16 -5.826 1.623 -3.461 1.00 0.00 C ATOM 0 H MET A 16 -9.406 1.726 -3.188 1.00 0.00 H new ATOM 0 HA MET A 16 -7.344 2.983 -4.686 1.00 0.00 H new ATOM 0 HB2 MET A 16 -9.589 1.117 -5.592 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.081 1.403 -6.438 1.00 0.00 H new ATOM 0 HG2 MET A 16 -8.194 0.287 -3.599 1.00 0.00 H new ATOM 0 HG3 MET A 16 -8.176 -0.737 -5.021 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.932 1.370 -2.891 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.697 2.601 -3.924 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.687 1.649 -2.793 1.00 0.00 H new ATOM 247 N ASP A 17 -10.452 3.787 -5.373 1.00 0.00 N ATOM 248 CA ASP A 17 -11.286 4.752 -6.068 1.00 0.00 C ATOM 249 C ASP A 17 -11.008 6.152 -5.517 1.00 0.00 C ATOM 250 O ASP A 17 -10.823 7.099 -6.280 1.00 0.00 O ATOM 251 CB ASP A 17 -12.770 4.448 -5.861 1.00 0.00 C ATOM 252 CG ASP A 17 -13.732 5.399 -6.577 1.00 0.00 C ATOM 253 OD1 ASP A 17 -13.494 6.622 -6.483 1.00 0.00 O ATOM 254 OD2 ASP A 17 -14.681 4.880 -7.203 1.00 0.00 O ATOM 0 H ASP A 17 -10.960 3.145 -4.765 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.052 4.695 -7.131 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.968 3.431 -6.201 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.985 4.474 -4.793 1.00 0.00 H new ATOM 259 N GLN A 18 -10.985 6.239 -4.195 1.00 0.00 N ATOM 260 CA GLN A 18 -10.733 7.506 -3.532 1.00 0.00 C ATOM 261 C GLN A 18 -9.311 7.987 -3.831 1.00 0.00 C ATOM 262 O GLN A 18 -9.081 9.182 -4.004 1.00 0.00 O ATOM 263 CB GLN A 18 -10.969 7.393 -2.024 1.00 0.00 C ATOM 264 CG GLN A 18 -12.368 7.885 -1.649 1.00 0.00 C ATOM 265 CD GLN A 18 -12.487 8.099 -0.139 1.00 0.00 C ATOM 266 OE1 GLN A 18 -11.507 8.223 0.576 1.00 0.00 O ATOM 267 NE2 GLN A 18 -13.741 8.134 0.304 1.00 0.00 N ATOM 0 H GLN A 18 -11.137 5.451 -3.565 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.435 8.244 -3.921 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.848 6.356 -1.710 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.219 7.977 -1.490 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -12.581 8.818 -2.170 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.113 7.160 -1.977 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.516 8.023 -0.350 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.927 8.272 1.297 1.00 0.00 H new ATOM 276 N CYS A 19 -8.396 7.031 -3.880 1.00 0.00 N ATOM 277 CA CYS A 19 -7.003 7.341 -4.155 1.00 0.00 C ATOM 278 C CYS A 19 -6.917 7.969 -5.548 1.00 0.00 C ATOM 279 O CYS A 19 -6.131 8.889 -5.770 1.00 0.00 O ATOM 280 CB CYS A 19 -6.112 6.104 -4.030 1.00 0.00 C ATOM 281 SG CYS A 19 -5.550 5.732 -2.328 1.00 0.00 S ATOM 0 H CYS A 19 -8.592 6.041 -3.734 1.00 0.00 H new ATOM 0 HA CYS A 19 -6.632 8.050 -3.414 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -6.656 5.241 -4.415 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -5.237 6.238 -4.665 1.00 0.00 H new ATOM 286 N LYS A 20 -7.733 7.445 -6.449 1.00 0.00 N ATOM 287 CA LYS A 20 -7.760 7.942 -7.814 1.00 0.00 C ATOM 288 C LYS A 20 -8.307 9.371 -7.823 1.00 0.00 C ATOM 289 O LYS A 20 -8.302 10.035 -8.858 1.00 0.00 O ATOM 290 CB LYS A 20 -8.533 6.981 -8.720 1.00 0.00 C ATOM 291 CG LYS A 20 -7.864 6.863 -10.092 1.00 0.00 C ATOM 292 CD LYS A 20 -8.800 6.195 -11.101 1.00 0.00 C ATOM 293 CE LYS A 20 -9.168 7.161 -12.230 1.00 0.00 C ATOM 294 NZ LYS A 20 -10.265 6.604 -13.052 1.00 0.00 N ATOM 0 H LYS A 20 -8.381 6.680 -6.261 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.750 7.985 -8.223 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.587 5.998 -8.252 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.557 7.333 -8.840 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.584 7.853 -10.451 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.945 6.284 -10.004 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.320 5.309 -11.517 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.705 5.859 -10.596 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.471 8.121 -11.811 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.295 7.347 -12.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.502 7.272 -13.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.963 5.699 -13.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.102 6.449 -12.455 1.00 0.00 H new ATOM 308 N ASP A 21 -8.767 9.801 -6.656 1.00 0.00 N ATOM 309 CA ASP A 21 -9.316 11.139 -6.517 1.00 0.00 C ATOM 310 C ASP A 21 -8.373 11.986 -5.661 1.00 0.00 C ATOM 311 O ASP A 21 -7.738 12.911 -6.162 1.00 0.00 O ATOM 312 CB ASP A 21 -10.680 11.103 -5.824 1.00 0.00 C ATOM 313 CG ASP A 21 -11.792 11.866 -6.546 1.00 0.00 C ATOM 314 OD1 ASP A 21 -12.092 11.478 -7.697 1.00 0.00 O ATOM 315 OD2 ASP A 21 -12.318 12.819 -5.932 1.00 0.00 O ATOM 0 H ASP A 21 -8.771 9.247 -5.800 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.428 11.564 -7.514 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.987 10.063 -5.712 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.572 11.513 -4.820 1.00 0.00 H new ATOM 320 N GLU A 22 -8.313 11.639 -4.384 1.00 0.00 N ATOM 321 CA GLU A 22 -7.459 12.356 -3.453 1.00 0.00 C ATOM 322 C GLU A 22 -6.053 12.519 -4.039 1.00 0.00 C ATOM 323 O GLU A 22 -5.448 13.582 -3.923 1.00 0.00 O ATOM 324 CB GLU A 22 -7.409 11.649 -2.096 1.00 0.00 C ATOM 325 CG GLU A 22 -7.172 10.148 -2.270 1.00 0.00 C ATOM 326 CD GLU A 22 -8.248 9.337 -1.545 1.00 0.00 C ATOM 327 OE1 GLU A 22 -9.320 9.923 -1.283 1.00 0.00 O ATOM 328 OE2 GLU A 22 -7.975 8.148 -1.270 1.00 0.00 O ATOM 0 H GLU A 22 -8.842 10.870 -3.972 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.882 13.348 -3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.614 12.078 -1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.344 11.814 -1.561 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.174 9.896 -3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.188 9.884 -1.882 1.00 0.00 H new ATOM 335 N LEU A 23 -5.578 11.447 -4.655 1.00 0.00 N ATOM 336 CA LEU A 23 -4.256 11.456 -5.259 1.00 0.00 C ATOM 337 C LEU A 23 -4.390 11.714 -6.762 1.00 0.00 C ATOM 338 O LEU A 23 -3.397 11.974 -7.441 1.00 0.00 O ATOM 339 CB LEU A 23 -3.503 10.169 -4.920 1.00 0.00 C ATOM 340 CG LEU A 23 -3.692 9.635 -3.498 1.00 0.00 C ATOM 341 CD1 LEU A 23 -3.444 8.126 -3.442 1.00 0.00 C ATOM 342 CD2 LEU A 23 -2.814 10.399 -2.506 1.00 0.00 C ATOM 0 H LEU A 23 -6.084 10.567 -4.749 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.654 12.266 -4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.813 9.395 -5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.439 10.340 -5.084 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.728 9.801 -3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.585 7.772 -2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.146 7.617 -4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.424 7.913 -3.763 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.967 10.001 -1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.766 10.286 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.082 11.455 -2.521 1.00 0.00 H new ATOM 354 N SER A 24 -5.623 11.632 -7.237 1.00 0.00 N ATOM 355 CA SER A 24 -5.898 11.853 -8.646 1.00 0.00 C ATOM 356 C SER A 24 -4.962 10.999 -9.503 1.00 0.00 C ATOM 357 O SER A 24 -4.808 11.246 -10.698 1.00 0.00 O ATOM 358 CB SER A 24 -5.750 13.331 -9.011 1.00 0.00 C ATOM 359 OG SER A 24 -6.629 13.712 -10.066 1.00 0.00 O ATOM 0 H SER A 24 -6.444 11.415 -6.671 1.00 0.00 H new ATOM 0 HA SER A 24 -6.929 11.559 -8.843 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.952 13.943 -8.132 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.720 13.530 -9.308 1.00 0.00 H new ATOM 0 HG SER A 24 -6.505 14.663 -10.268 1.00 0.00 H new ATOM 365 N LEU A 25 -4.359 10.011 -8.859 1.00 0.00 N ATOM 366 CA LEU A 25 -3.442 9.118 -9.546 1.00 0.00 C ATOM 367 C LEU A 25 -4.238 8.018 -10.249 1.00 0.00 C ATOM 368 O LEU A 25 -5.440 7.880 -10.030 1.00 0.00 O ATOM 369 CB LEU A 25 -2.383 8.587 -8.578 1.00 0.00 C ATOM 370 CG LEU A 25 -2.757 7.324 -7.801 1.00 0.00 C ATOM 371 CD1 LEU A 25 -4.263 7.274 -7.527 1.00 0.00 C ATOM 372 CD2 LEU A 25 -2.264 6.069 -8.522 1.00 0.00 C ATOM 0 H LEU A 25 -4.488 9.809 -7.868 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.893 9.658 -10.318 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.472 8.386 -9.142 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.147 9.374 -7.861 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.254 7.357 -6.834 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.502 6.366 -6.973 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.555 8.145 -6.940 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.805 7.276 -8.473 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.544 5.186 -7.948 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.717 6.016 -9.512 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.179 6.109 -8.621 1.00 0.00 H new ATOM 384 N PRO A 26 -3.517 7.242 -11.102 1.00 0.00 N ATOM 385 CA PRO A 26 -4.144 6.156 -11.838 1.00 0.00 C ATOM 386 C PRO A 26 -4.419 4.959 -10.924 1.00 0.00 C ATOM 387 O PRO A 26 -3.497 4.412 -10.320 1.00 0.00 O ATOM 388 CB PRO A 26 -3.176 5.834 -12.964 1.00 0.00 C ATOM 389 CG PRO A 26 -1.839 6.426 -12.548 1.00 0.00 C ATOM 390 CD PRO A 26 -2.092 7.373 -11.385 1.00 0.00 C ATOM 0 HA PRO A 26 -5.122 6.428 -12.236 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.096 4.757 -13.114 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.517 6.263 -13.906 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.147 5.637 -12.255 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.381 6.958 -13.382 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.490 7.104 -10.517 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.833 8.399 -11.647 1.00 0.00 H new ATOM 398 N ASP A 27 -5.688 4.589 -10.853 1.00 0.00 N ATOM 399 CA ASP A 27 -6.094 3.467 -10.023 1.00 0.00 C ATOM 400 C ASP A 27 -5.546 2.171 -10.622 1.00 0.00 C ATOM 401 O ASP A 27 -5.771 1.089 -10.081 1.00 0.00 O ATOM 402 CB ASP A 27 -7.619 3.351 -9.961 1.00 0.00 C ATOM 403 CG ASP A 27 -8.153 2.408 -8.882 1.00 0.00 C ATOM 404 OD1 ASP A 27 -7.858 1.198 -8.989 1.00 0.00 O ATOM 405 OD2 ASP A 27 -8.843 2.919 -7.973 1.00 0.00 O ATOM 0 H ASP A 27 -6.449 5.045 -11.356 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.703 3.632 -9.019 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.037 4.344 -9.794 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.982 3.011 -10.931 1.00 0.00 H new ATOM 410 N SER A 28 -4.837 2.322 -11.731 1.00 0.00 N ATOM 411 CA SER A 28 -4.254 1.176 -12.408 1.00 0.00 C ATOM 412 C SER A 28 -2.962 0.754 -11.706 1.00 0.00 C ATOM 413 O SER A 28 -2.714 -0.437 -11.520 1.00 0.00 O ATOM 414 CB SER A 28 -3.979 1.489 -13.881 1.00 0.00 C ATOM 415 OG SER A 28 -3.215 2.681 -14.040 1.00 0.00 O ATOM 0 H SER A 28 -4.653 3.220 -12.178 1.00 0.00 H new ATOM 0 HA SER A 28 -4.968 0.354 -12.365 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.446 0.654 -14.336 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.925 1.591 -14.413 1.00 0.00 H new ATOM 0 HG SER A 28 -3.718 3.322 -14.585 1.00 0.00 H new ATOM 421 N VAL A 29 -2.174 1.752 -11.334 1.00 0.00 N ATOM 422 CA VAL A 29 -0.914 1.498 -10.656 1.00 0.00 C ATOM 423 C VAL A 29 -1.193 0.864 -9.291 1.00 0.00 C ATOM 424 O VAL A 29 -0.434 0.014 -8.830 1.00 0.00 O ATOM 425 CB VAL A 29 -0.103 2.791 -10.559 1.00 0.00 C ATOM 426 CG1 VAL A 29 0.220 3.341 -11.951 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.832 3.835 -9.713 1.00 0.00 C ATOM 0 H VAL A 29 -2.384 2.738 -11.489 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.309 0.792 -11.225 1.00 0.00 H new ATOM 0 HB VAL A 29 0.839 2.558 -10.063 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.797 4.261 -11.854 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.801 2.605 -12.507 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.708 3.549 -12.484 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.233 4.744 -9.661 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.797 4.062 -10.167 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.987 3.445 -8.707 1.00 0.00 H new ATOM 437 N VAL A 30 -2.285 1.305 -8.683 1.00 0.00 N ATOM 438 CA VAL A 30 -2.674 0.791 -7.380 1.00 0.00 C ATOM 439 C VAL A 30 -3.212 -0.632 -7.537 1.00 0.00 C ATOM 440 O VAL A 30 -2.929 -1.502 -6.714 1.00 0.00 O ATOM 441 CB VAL A 30 -3.677 1.741 -6.721 1.00 0.00 C ATOM 442 CG1 VAL A 30 -3.245 3.198 -6.891 1.00 0.00 C ATOM 443 CG2 VAL A 30 -5.087 1.518 -7.272 1.00 0.00 C ATOM 0 H VAL A 30 -2.912 2.012 -9.068 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.811 0.740 -6.716 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.696 1.520 -5.654 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.975 3.852 -6.414 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.269 3.345 -6.428 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.183 3.438 -7.953 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.780 2.206 -6.787 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.090 1.698 -8.347 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.397 0.492 -7.075 1.00 0.00 H new ATOM 453 N ALA A 31 -3.980 -0.826 -8.600 1.00 0.00 N ATOM 454 CA ALA A 31 -4.561 -2.130 -8.876 1.00 0.00 C ATOM 455 C ALA A 31 -3.450 -3.105 -9.269 1.00 0.00 C ATOM 456 O ALA A 31 -3.632 -4.320 -9.201 1.00 0.00 O ATOM 457 CB ALA A 31 -5.628 -1.992 -9.962 1.00 0.00 C ATOM 0 H ALA A 31 -4.213 -0.102 -9.280 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.050 -2.530 -7.988 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.064 -2.969 -10.170 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.408 -1.311 -9.621 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.173 -1.597 -10.871 1.00 0.00 H new ATOM 463 N ASP A 32 -2.322 -2.538 -9.671 1.00 0.00 N ATOM 464 CA ASP A 32 -1.182 -3.343 -10.075 1.00 0.00 C ATOM 465 C ASP A 32 -0.583 -4.026 -8.843 1.00 0.00 C ATOM 466 O ASP A 32 -0.085 -5.147 -8.932 1.00 0.00 O ATOM 467 CB ASP A 32 -0.093 -2.476 -10.710 1.00 0.00 C ATOM 468 CG ASP A 32 1.105 -3.246 -11.265 1.00 0.00 C ATOM 469 OD1 ASP A 32 1.176 -4.462 -10.987 1.00 0.00 O ATOM 470 OD2 ASP A 32 1.926 -2.601 -11.955 1.00 0.00 O ATOM 0 H ASP A 32 -2.173 -1.530 -9.726 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.529 -4.077 -10.802 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.538 -1.895 -11.518 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.265 -1.765 -9.965 1.00 0.00 H new ATOM 475 N LEU A 33 -0.653 -3.321 -7.723 1.00 0.00 N ATOM 476 CA LEU A 33 -0.124 -3.847 -6.476 1.00 0.00 C ATOM 477 C LEU A 33 -0.726 -5.229 -6.213 1.00 0.00 C ATOM 478 O LEU A 33 -0.068 -6.098 -5.644 1.00 0.00 O ATOM 479 CB LEU A 33 -0.351 -2.851 -5.336 1.00 0.00 C ATOM 480 CG LEU A 33 0.715 -1.765 -5.172 1.00 0.00 C ATOM 481 CD1 LEU A 33 0.476 -0.951 -3.900 1.00 0.00 C ATOM 482 CD2 LEU A 33 2.120 -2.369 -5.209 1.00 0.00 C ATOM 0 H LEU A 33 -1.067 -2.392 -7.653 1.00 0.00 H new ATOM 0 HA LEU A 33 0.956 -3.978 -6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.315 -2.366 -5.490 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.421 -3.408 -4.402 1.00 0.00 H new ATOM 0 HG LEU A 33 0.636 -1.077 -6.014 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.247 -0.186 -3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.503 -0.475 -3.951 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.513 -1.611 -3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.860 -1.577 -5.090 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.227 -3.090 -4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.275 -2.871 -6.164 1.00 0.00 H new ATOM 494 N TYR A 34 -1.970 -5.388 -6.641 1.00 0.00 N ATOM 495 CA TYR A 34 -2.668 -6.649 -6.459 1.00 0.00 C ATOM 496 C TYR A 34 -2.134 -7.715 -7.419 1.00 0.00 C ATOM 497 O TYR A 34 -2.285 -8.910 -7.173 1.00 0.00 O ATOM 498 CB TYR A 34 -4.135 -6.371 -6.789 1.00 0.00 C ATOM 499 CG TYR A 34 -5.123 -6.969 -5.785 1.00 0.00 C ATOM 500 CD1 TYR A 34 -4.831 -6.955 -4.437 1.00 0.00 C ATOM 501 CD2 TYR A 34 -6.306 -7.522 -6.229 1.00 0.00 C ATOM 502 CE1 TYR A 34 -5.760 -7.519 -3.492 1.00 0.00 C ATOM 503 CE2 TYR A 34 -7.237 -8.086 -5.284 1.00 0.00 C ATOM 504 CZ TYR A 34 -6.918 -8.055 -3.963 1.00 0.00 C ATOM 505 OH TYR A 34 -7.796 -8.588 -3.070 1.00 0.00 O ATOM 0 H TYR A 34 -2.512 -4.664 -7.113 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.532 -7.020 -5.443 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.288 -5.293 -6.836 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.355 -6.768 -7.780 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.905 -6.521 -4.090 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.535 -7.532 -7.284 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.542 -7.516 -2.434 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.166 -8.523 -5.618 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.579 -8.933 -3.547 1.00 0.00 H new ATOM 515 N ASN A 35 -1.522 -7.241 -8.495 1.00 0.00 N ATOM 516 CA ASN A 35 -0.965 -8.138 -9.494 1.00 0.00 C ATOM 517 C ASN A 35 0.241 -8.872 -8.901 1.00 0.00 C ATOM 518 O ASN A 35 0.160 -10.061 -8.598 1.00 0.00 O ATOM 519 CB ASN A 35 -0.489 -7.365 -10.725 1.00 0.00 C ATOM 520 CG ASN A 35 -1.039 -7.986 -12.011 1.00 0.00 C ATOM 521 OD1 ASN A 35 -0.856 -9.159 -12.291 1.00 0.00 O ATOM 522 ND2 ASN A 35 -1.722 -7.137 -12.772 1.00 0.00 N ATOM 0 H ASN A 35 -1.400 -6.249 -8.697 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.746 -8.840 -9.788 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.810 -6.326 -10.653 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.601 -7.360 -10.757 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.131 -7.455 -13.651 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.837 -6.167 -12.477 1.00 0.00 H new ATOM 529 N PHE A 36 1.328 -8.130 -8.752 1.00 0.00 N ATOM 530 CA PHE A 36 2.548 -8.695 -8.201 1.00 0.00 C ATOM 531 C PHE A 36 3.763 -7.840 -8.569 1.00 0.00 C ATOM 532 O PHE A 36 4.876 -8.353 -8.682 1.00 0.00 O ATOM 533 CB PHE A 36 2.714 -10.087 -8.813 1.00 0.00 C ATOM 534 CG PHE A 36 2.366 -11.232 -7.858 1.00 0.00 C ATOM 535 CD1 PHE A 36 2.831 -11.218 -6.581 1.00 0.00 C ATOM 536 CD2 PHE A 36 1.590 -12.263 -8.290 1.00 0.00 C ATOM 537 CE1 PHE A 36 2.508 -12.280 -5.697 1.00 0.00 C ATOM 538 CE2 PHE A 36 1.266 -13.325 -7.403 1.00 0.00 C ATOM 539 CZ PHE A 36 1.732 -13.311 -6.126 1.00 0.00 C ATOM 0 H PHE A 36 1.390 -7.143 -9.003 1.00 0.00 H new ATOM 0 HA PHE A 36 2.481 -8.735 -7.114 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.083 -10.161 -9.698 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.745 -10.206 -9.146 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.446 -10.399 -6.239 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.221 -12.274 -9.305 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.879 -12.269 -4.683 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.649 -14.144 -7.744 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.486 -14.119 -5.452 1.00 0.00 H new ATOM 549 N TRP A 37 3.509 -6.553 -8.747 1.00 0.00 N ATOM 550 CA TRP A 37 4.568 -5.622 -9.102 1.00 0.00 C ATOM 551 C TRP A 37 5.083 -4.979 -7.812 1.00 0.00 C ATOM 552 O TRP A 37 5.614 -3.870 -7.836 1.00 0.00 O ATOM 553 CB TRP A 37 4.077 -4.597 -10.126 1.00 0.00 C ATOM 554 CG TRP A 37 3.265 -3.452 -9.520 1.00 0.00 C ATOM 555 CD1 TRP A 37 2.256 -3.530 -8.642 1.00 0.00 C ATOM 556 CD2 TRP A 37 3.433 -2.043 -9.787 1.00 0.00 C ATOM 557 NE1 TRP A 37 1.765 -2.281 -8.322 1.00 0.00 N ATOM 558 CE2 TRP A 37 2.503 -1.348 -9.042 1.00 0.00 C ATOM 559 CE3 TRP A 37 4.341 -1.380 -10.630 1.00 0.00 C ATOM 560 CZ2 TRP A 37 2.391 0.047 -9.064 1.00 0.00 C ATOM 561 CZ3 TRP A 37 4.217 0.015 -10.641 1.00 0.00 C ATOM 562 CH2 TRP A 37 3.286 0.731 -9.896 1.00 0.00 C ATOM 0 H TRP A 37 2.585 -6.132 -8.652 1.00 0.00 H new ATOM 0 HA TRP A 37 5.394 -6.143 -9.586 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.938 -4.181 -10.650 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.467 -5.107 -10.871 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.875 -4.455 -8.236 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.002 -2.079 -7.676 1.00 0.00 H new ATOM 0 HE3 TRP A 37 5.076 -1.905 -11.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.654 0.568 -8.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 4.892 0.574 -11.272 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.253 1.809 -9.959 1.00 0.00 H new ATOM 573 N LYS A 38 4.907 -5.704 -6.717 1.00 0.00 N ATOM 574 CA LYS A 38 5.347 -5.219 -5.420 1.00 0.00 C ATOM 575 C LYS A 38 6.756 -4.633 -5.550 1.00 0.00 C ATOM 576 O LYS A 38 7.000 -3.498 -5.144 1.00 0.00 O ATOM 577 CB LYS A 38 5.236 -6.323 -4.367 1.00 0.00 C ATOM 578 CG LYS A 38 4.077 -6.050 -3.406 1.00 0.00 C ATOM 579 CD LYS A 38 3.378 -7.351 -3.006 1.00 0.00 C ATOM 580 CE LYS A 38 2.621 -7.184 -1.688 1.00 0.00 C ATOM 581 NZ LYS A 38 1.624 -6.095 -1.798 1.00 0.00 N ATOM 0 H LYS A 38 4.466 -6.623 -6.701 1.00 0.00 H new ATOM 0 HA LYS A 38 4.697 -4.415 -5.075 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.087 -7.285 -4.858 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.169 -6.392 -3.807 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.450 -5.545 -2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.360 -5.378 -3.877 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.685 -7.652 -3.792 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.115 -8.148 -2.908 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.122 -8.117 -1.428 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.323 -6.963 -0.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.974 -6.136 -0.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.112 -5.177 -1.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.084 -6.206 -2.680 1.00 0.00 H new ATOM 595 N ASP A 39 7.645 -5.433 -6.119 1.00 0.00 N ATOM 596 CA ASP A 39 9.021 -5.009 -6.308 1.00 0.00 C ATOM 597 C ASP A 39 9.039 -3.596 -6.894 1.00 0.00 C ATOM 598 O ASP A 39 9.940 -2.811 -6.605 1.00 0.00 O ATOM 599 CB ASP A 39 9.754 -5.934 -7.282 1.00 0.00 C ATOM 600 CG ASP A 39 9.416 -5.717 -8.758 1.00 0.00 C ATOM 601 OD1 ASP A 39 8.340 -6.197 -9.171 1.00 0.00 O ATOM 602 OD2 ASP A 39 10.243 -5.075 -9.441 1.00 0.00 O ATOM 0 H ASP A 39 7.439 -6.374 -6.456 1.00 0.00 H new ATOM 0 HA ASP A 39 9.519 -5.039 -5.339 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.827 -5.801 -7.147 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.525 -6.967 -7.020 1.00 0.00 H new ATOM 607 N ASP A 40 8.032 -3.316 -7.709 1.00 0.00 N ATOM 608 CA ASP A 40 7.920 -2.011 -8.339 1.00 0.00 C ATOM 609 C ASP A 40 7.245 -1.038 -7.370 1.00 0.00 C ATOM 610 O ASP A 40 6.029 -0.852 -7.418 1.00 0.00 O ATOM 611 CB ASP A 40 7.069 -2.082 -9.608 1.00 0.00 C ATOM 612 CG ASP A 40 7.009 -0.787 -10.420 1.00 0.00 C ATOM 613 OD1 ASP A 40 6.631 0.243 -9.819 1.00 0.00 O ATOM 614 OD2 ASP A 40 7.341 -0.855 -11.623 1.00 0.00 O ATOM 0 H ASP A 40 7.287 -3.970 -7.947 1.00 0.00 H new ATOM 0 HA ASP A 40 8.924 -1.675 -8.598 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.460 -2.875 -10.246 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.054 -2.367 -9.331 1.00 0.00 H new ATOM 619 N TYR A 41 8.063 -0.442 -6.514 1.00 0.00 N ATOM 620 CA TYR A 41 7.558 0.506 -5.536 1.00 0.00 C ATOM 621 C TYR A 41 7.782 1.946 -6.003 1.00 0.00 C ATOM 622 O TYR A 41 8.155 2.179 -7.152 1.00 0.00 O ATOM 623 CB TYR A 41 8.368 0.266 -4.260 1.00 0.00 C ATOM 624 CG TYR A 41 8.109 -1.091 -3.604 1.00 0.00 C ATOM 625 CD1 TYR A 41 7.046 -1.246 -2.736 1.00 0.00 C ATOM 626 CD2 TYR A 41 8.937 -2.159 -3.880 1.00 0.00 C ATOM 627 CE1 TYR A 41 6.802 -2.523 -2.119 1.00 0.00 C ATOM 628 CE2 TYR A 41 8.692 -3.439 -3.263 1.00 0.00 C ATOM 629 CZ TYR A 41 7.637 -3.556 -2.413 1.00 0.00 C ATOM 630 OH TYR A 41 7.406 -4.764 -1.830 1.00 0.00 O ATOM 0 H TYR A 41 9.070 -0.597 -6.478 1.00 0.00 H new ATOM 0 HA TYR A 41 6.487 0.368 -5.385 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.429 0.348 -4.495 1.00 0.00 H new ATOM 0 HB3 TYR A 41 8.139 1.054 -3.543 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.398 -0.409 -2.520 1.00 0.00 H new ATOM 0 HD2 TYR A 41 9.769 -2.037 -4.558 1.00 0.00 H new ATOM 0 HE1 TYR A 41 5.975 -2.658 -1.438 1.00 0.00 H new ATOM 0 HE2 TYR A 41 9.331 -4.284 -3.471 1.00 0.00 H new ATOM 0 HH TYR A 41 6.446 -4.867 -1.660 1.00 0.00 H new ATOM 640 N VAL A 42 7.544 2.875 -5.090 1.00 0.00 N ATOM 641 CA VAL A 42 7.712 4.285 -5.394 1.00 0.00 C ATOM 642 C VAL A 42 8.871 4.454 -6.378 1.00 0.00 C ATOM 643 O VAL A 42 8.834 5.329 -7.243 1.00 0.00 O ATOM 644 CB VAL A 42 7.906 5.081 -4.101 1.00 0.00 C ATOM 645 CG1 VAL A 42 8.476 6.470 -4.392 1.00 0.00 C ATOM 646 CG2 VAL A 42 6.595 5.179 -3.318 1.00 0.00 C ATOM 0 H VAL A 42 7.236 2.678 -4.138 1.00 0.00 H new ATOM 0 HA VAL A 42 6.817 4.682 -5.873 1.00 0.00 H new ATOM 0 HB VAL A 42 8.628 4.547 -3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.604 7.014 -3.456 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.441 6.370 -4.889 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.790 7.017 -5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.759 5.749 -2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.843 5.680 -3.928 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.247 4.178 -3.064 1.00 0.00 H new ATOM 656 N MET A 43 9.875 3.605 -6.214 1.00 0.00 N ATOM 657 CA MET A 43 11.042 3.650 -7.076 1.00 0.00 C ATOM 658 C MET A 43 10.643 3.943 -8.525 1.00 0.00 C ATOM 659 O MET A 43 11.425 4.511 -9.285 1.00 0.00 O ATOM 660 CB MET A 43 11.777 2.308 -7.011 1.00 0.00 C ATOM 661 CG MET A 43 13.017 2.318 -7.907 1.00 0.00 C ATOM 662 SD MET A 43 12.598 1.717 -9.535 1.00 0.00 S ATOM 663 CE MET A 43 13.626 2.783 -10.533 1.00 0.00 C ATOM 0 H MET A 43 9.903 2.881 -5.496 1.00 0.00 H new ATOM 0 HA MET A 43 11.696 4.450 -6.729 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.069 2.099 -5.982 1.00 0.00 H new ATOM 0 HB3 MET A 43 11.106 1.507 -7.321 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.418 3.329 -7.976 1.00 0.00 H new ATOM 0 HG3 MET A 43 13.797 1.695 -7.470 1.00 0.00 H new ATOM 0 HE1 MET A 43 13.009 3.553 -10.996 1.00 0.00 H new ATOM 0 HE2 MET A 43 14.382 3.253 -9.904 1.00 0.00 H new ATOM 0 HE3 MET A 43 14.115 2.194 -11.309 1.00 0.00 H new ATOM 673 N THR A 44 9.427 3.541 -8.862 1.00 0.00 N ATOM 674 CA THR A 44 8.915 3.753 -10.206 1.00 0.00 C ATOM 675 C THR A 44 7.684 4.661 -10.170 1.00 0.00 C ATOM 676 O THR A 44 7.637 5.675 -10.865 1.00 0.00 O ATOM 677 CB THR A 44 8.639 2.382 -10.828 1.00 0.00 C ATOM 678 OG1 THR A 44 9.884 2.011 -11.412 1.00 0.00 O ATOM 679 CG2 THR A 44 7.679 2.463 -12.017 1.00 0.00 C ATOM 0 H THR A 44 8.781 3.070 -8.229 1.00 0.00 H new ATOM 0 HA THR A 44 9.644 4.269 -10.830 1.00 0.00 H new ATOM 0 HB THR A 44 8.225 1.715 -10.072 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.570 1.958 -10.714 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.516 1.464 -12.422 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.727 2.881 -11.688 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.109 3.102 -12.789 1.00 0.00 H new ATOM 687 N ASP A 45 6.720 4.267 -9.352 1.00 0.00 N ATOM 688 CA ASP A 45 5.493 5.034 -9.216 1.00 0.00 C ATOM 689 C ASP A 45 5.227 5.303 -7.735 1.00 0.00 C ATOM 690 O ASP A 45 4.913 4.383 -6.979 1.00 0.00 O ATOM 691 CB ASP A 45 4.296 4.263 -9.779 1.00 0.00 C ATOM 692 CG ASP A 45 3.021 5.090 -9.958 1.00 0.00 C ATOM 693 OD1 ASP A 45 2.921 5.757 -11.010 1.00 0.00 O ATOM 694 OD2 ASP A 45 2.177 5.037 -9.039 1.00 0.00 O ATOM 0 H ASP A 45 6.763 3.426 -8.776 1.00 0.00 H new ATOM 0 HA ASP A 45 5.615 5.966 -9.769 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.576 3.841 -10.744 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.078 3.426 -9.116 1.00 0.00 H new ATOM 699 N ARG A 46 5.362 6.567 -7.362 1.00 0.00 N ATOM 700 CA ARG A 46 5.140 6.968 -5.982 1.00 0.00 C ATOM 701 C ARG A 46 3.654 6.869 -5.634 1.00 0.00 C ATOM 702 O ARG A 46 3.296 6.417 -4.547 1.00 0.00 O ATOM 703 CB ARG A 46 5.617 8.402 -5.742 1.00 0.00 C ATOM 704 CG ARG A 46 5.133 8.922 -4.387 1.00 0.00 C ATOM 705 CD ARG A 46 4.221 10.139 -4.562 1.00 0.00 C ATOM 706 NE ARG A 46 5.007 11.297 -5.042 1.00 0.00 N ATOM 707 CZ ARG A 46 5.804 12.039 -4.261 1.00 0.00 C ATOM 708 NH1 ARG A 46 5.925 11.749 -2.958 1.00 0.00 N ATOM 709 NH2 ARG A 46 6.480 13.071 -4.784 1.00 0.00 N ATOM 0 H ARG A 46 5.622 7.327 -7.991 1.00 0.00 H new ATOM 0 HA ARG A 46 5.713 6.294 -5.345 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.706 8.438 -5.781 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.248 9.050 -6.537 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.596 8.133 -3.861 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.990 9.191 -3.769 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.427 9.909 -5.272 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.741 10.383 -3.614 1.00 0.00 H new ATOM 0 HE ARG A 46 4.938 11.546 -6.029 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.410 10.963 -2.560 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.532 12.314 -2.364 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.388 13.291 -5.776 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.087 13.636 -4.190 1.00 0.00 H new ATOM 723 N LEU A 47 2.827 7.299 -6.576 1.00 0.00 N ATOM 724 CA LEU A 47 1.387 7.264 -6.382 1.00 0.00 C ATOM 725 C LEU A 47 0.983 5.887 -5.850 1.00 0.00 C ATOM 726 O LEU A 47 0.175 5.787 -4.929 1.00 0.00 O ATOM 727 CB LEU A 47 0.663 7.664 -7.669 1.00 0.00 C ATOM 728 CG LEU A 47 1.252 8.855 -8.427 1.00 0.00 C ATOM 729 CD1 LEU A 47 1.847 9.881 -7.460 1.00 0.00 C ATOM 730 CD2 LEU A 47 2.272 8.392 -9.470 1.00 0.00 C ATOM 0 H LEU A 47 3.127 7.674 -7.476 1.00 0.00 H new ATOM 0 HA LEU A 47 1.085 7.997 -5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.650 6.803 -8.338 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.374 7.892 -7.423 1.00 0.00 H new ATOM 0 HG LEU A 47 0.444 9.350 -8.965 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.259 10.717 -8.025 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.068 10.244 -6.790 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.639 9.413 -6.875 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.675 9.258 -9.994 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.083 7.858 -8.974 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.785 7.729 -10.185 1.00 0.00 H new ATOM 742 N ALA A 48 1.562 4.861 -6.455 1.00 0.00 N ATOM 743 CA ALA A 48 1.272 3.494 -6.055 1.00 0.00 C ATOM 744 C ALA A 48 1.644 3.310 -4.582 1.00 0.00 C ATOM 745 O ALA A 48 1.008 2.533 -3.871 1.00 0.00 O ATOM 746 CB ALA A 48 2.020 2.525 -6.971 1.00 0.00 C ATOM 0 H ALA A 48 2.231 4.948 -7.220 1.00 0.00 H new ATOM 0 HA ALA A 48 0.208 3.281 -6.156 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.803 1.500 -6.671 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.699 2.677 -8.002 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.092 2.706 -6.894 1.00 0.00 H new ATOM 752 N GLY A 49 2.671 4.036 -4.167 1.00 0.00 N ATOM 753 CA GLY A 49 3.134 3.962 -2.793 1.00 0.00 C ATOM 754 C GLY A 49 2.263 4.821 -1.873 1.00 0.00 C ATOM 755 O GLY A 49 2.081 4.493 -0.702 1.00 0.00 O ATOM 0 H GLY A 49 3.196 4.679 -4.759 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.115 2.926 -2.455 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.170 4.297 -2.736 1.00 0.00 H new ATOM 759 N CYS A 50 1.750 5.903 -2.438 1.00 0.00 N ATOM 760 CA CYS A 50 0.902 6.810 -1.685 1.00 0.00 C ATOM 761 C CYS A 50 -0.507 6.216 -1.627 1.00 0.00 C ATOM 762 O CYS A 50 -1.130 6.189 -0.566 1.00 0.00 O ATOM 763 CB CYS A 50 0.903 8.217 -2.287 1.00 0.00 C ATOM 764 SG CYS A 50 1.891 9.448 -1.360 1.00 0.00 S ATOM 0 H CYS A 50 1.905 6.172 -3.409 1.00 0.00 H new ATOM 0 HA CYS A 50 1.291 6.918 -0.673 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.283 8.160 -3.307 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -0.126 8.571 -2.350 1.00 0.00 H new ATOM 769 N ALA A 51 -0.967 5.754 -2.779 1.00 0.00 N ATOM 770 CA ALA A 51 -2.291 5.162 -2.872 1.00 0.00 C ATOM 771 C ALA A 51 -2.409 4.026 -1.854 1.00 0.00 C ATOM 772 O ALA A 51 -3.397 3.942 -1.125 1.00 0.00 O ATOM 773 CB ALA A 51 -2.538 4.686 -4.307 1.00 0.00 C ATOM 0 H ALA A 51 -0.447 5.777 -3.656 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.058 5.899 -2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.531 4.242 -4.377 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.471 5.534 -4.988 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.788 3.943 -4.578 1.00 0.00 H new ATOM 779 N ILE A 52 -1.389 3.180 -1.835 1.00 0.00 N ATOM 780 CA ILE A 52 -1.367 2.055 -0.917 1.00 0.00 C ATOM 781 C ILE A 52 -1.507 2.568 0.517 1.00 0.00 C ATOM 782 O ILE A 52 -2.186 1.952 1.338 1.00 0.00 O ATOM 783 CB ILE A 52 -0.119 1.201 -1.146 1.00 0.00 C ATOM 784 CG1 ILE A 52 -0.449 -0.290 -1.057 1.00 0.00 C ATOM 785 CG2 ILE A 52 1.002 1.599 -0.183 1.00 0.00 C ATOM 786 CD1 ILE A 52 -1.242 -0.600 0.215 1.00 0.00 C ATOM 0 H ILE A 52 -0.572 3.252 -2.441 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.215 1.396 -1.103 1.00 0.00 H new ATOM 0 HB ILE A 52 0.242 1.390 -2.157 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.025 -0.592 -1.932 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.473 -0.872 -1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.878 0.977 -0.367 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.262 2.646 -0.340 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.666 1.458 0.844 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.464 -1.666 0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.653 -0.319 1.088 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.174 -0.035 0.209 1.00 0.00 H new ATOM 798 N ASN A 53 -0.852 3.691 0.776 1.00 0.00 N ATOM 799 CA ASN A 53 -0.895 4.294 2.098 1.00 0.00 C ATOM 800 C ASN A 53 -2.334 4.703 2.421 1.00 0.00 C ATOM 801 O ASN A 53 -2.816 4.464 3.527 1.00 0.00 O ATOM 802 CB ASN A 53 -0.022 5.549 2.158 1.00 0.00 C ATOM 803 CG ASN A 53 1.101 5.387 3.182 1.00 0.00 C ATOM 804 OD1 ASN A 53 0.945 5.653 4.363 1.00 0.00 O ATOM 805 ND2 ASN A 53 2.242 4.934 2.668 1.00 0.00 N ATOM 0 H ASN A 53 -0.289 4.199 0.093 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.525 3.562 2.816 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.404 5.747 1.174 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.636 6.411 2.419 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.052 4.790 3.271 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.307 4.730 1.671 1.00 0.00 H new ATOM 812 N CYS A 54 -2.978 5.311 1.435 1.00 0.00 N ATOM 813 CA CYS A 54 -4.351 5.755 1.601 1.00 0.00 C ATOM 814 C CYS A 54 -5.229 4.524 1.840 1.00 0.00 C ATOM 815 O CYS A 54 -6.326 4.635 2.385 1.00 0.00 O ATOM 816 CB CYS A 54 -4.831 6.572 0.401 1.00 0.00 C ATOM 817 SG CYS A 54 -6.094 5.748 -0.635 1.00 0.00 S ATOM 0 H CYS A 54 -2.574 5.506 0.519 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.418 6.421 2.461 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.238 7.517 0.762 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.971 6.813 -0.223 1.00 0.00 H new ATOM 822 N LEU A 55 -4.712 3.378 1.421 1.00 0.00 N ATOM 823 CA LEU A 55 -5.434 2.129 1.583 1.00 0.00 C ATOM 824 C LEU A 55 -5.846 1.968 3.048 1.00 0.00 C ATOM 825 O LEU A 55 -6.917 1.438 3.341 1.00 0.00 O ATOM 826 CB LEU A 55 -4.607 0.958 1.046 1.00 0.00 C ATOM 827 CG LEU A 55 -5.395 -0.284 0.626 1.00 0.00 C ATOM 828 CD1 LEU A 55 -6.106 -0.913 1.826 1.00 0.00 C ATOM 829 CD2 LEU A 55 -6.369 0.042 -0.509 1.00 0.00 C ATOM 0 H LEU A 55 -3.802 3.289 0.970 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.350 2.141 0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.034 1.308 0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.888 0.666 1.811 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.690 -1.023 0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.659 -1.794 1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.369 -1.203 2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.797 -0.190 2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.916 -0.858 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.072 0.806 -0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.813 0.411 -1.371 1.00 0.00 H new ATOM 841 N ALA A 56 -4.975 2.436 3.929 1.00 0.00 N ATOM 842 CA ALA A 56 -5.236 2.352 5.356 1.00 0.00 C ATOM 843 C ALA A 56 -6.282 3.400 5.742 1.00 0.00 C ATOM 844 O ALA A 56 -6.825 3.362 6.846 1.00 0.00 O ATOM 845 CB ALA A 56 -3.924 2.527 6.126 1.00 0.00 C ATOM 0 H ALA A 56 -4.088 2.875 3.683 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.639 1.373 5.615 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.119 2.464 7.197 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.225 1.742 5.838 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.492 3.500 5.893 1.00 0.00 H new ATOM 851 N THR A 57 -6.533 4.309 4.813 1.00 0.00 N ATOM 852 CA THR A 57 -7.506 5.365 5.041 1.00 0.00 C ATOM 853 C THR A 57 -8.375 5.034 6.256 1.00 0.00 C ATOM 854 O THR A 57 -8.392 5.781 7.233 1.00 0.00 O ATOM 855 CB THR A 57 -8.309 5.554 3.753 1.00 0.00 C ATOM 856 OG1 THR A 57 -9.522 6.164 4.188 1.00 0.00 O ATOM 857 CG2 THR A 57 -8.759 4.225 3.142 1.00 0.00 C ATOM 0 H THR A 57 -6.080 4.337 3.900 1.00 0.00 H new ATOM 0 HA THR A 57 -7.017 6.310 5.277 1.00 0.00 H new ATOM 0 HB THR A 57 -7.708 6.101 3.027 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.103 6.324 3.415 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.325 4.417 2.230 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.885 3.619 2.906 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.389 3.692 3.854 1.00 0.00 H new ATOM 865 N LYS A 58 -9.076 3.914 6.157 1.00 0.00 N ATOM 866 CA LYS A 58 -9.944 3.476 7.235 1.00 0.00 C ATOM 867 C LYS A 58 -9.369 2.205 7.864 1.00 0.00 C ATOM 868 O LYS A 58 -9.609 1.102 7.373 1.00 0.00 O ATOM 869 CB LYS A 58 -11.381 3.318 6.735 1.00 0.00 C ATOM 870 CG LYS A 58 -12.026 4.683 6.479 1.00 0.00 C ATOM 871 CD LYS A 58 -12.680 5.227 7.751 1.00 0.00 C ATOM 872 CE LYS A 58 -13.588 6.418 7.435 1.00 0.00 C ATOM 873 NZ LYS A 58 -13.822 7.227 8.650 1.00 0.00 N ATOM 0 H LYS A 58 -9.060 3.296 5.345 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.985 4.230 8.021 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.388 2.731 5.817 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.967 2.767 7.470 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.271 5.385 6.125 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.774 4.594 5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.261 4.439 8.231 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.909 5.531 8.459 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.131 7.036 6.662 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.539 6.063 7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.440 8.031 8.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.277 6.639 9.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.914 7.582 9.011 1.00 0.00 H new ATOM 887 N LEU A 59 -8.623 2.401 8.941 1.00 0.00 N ATOM 888 CA LEU A 59 -8.012 1.285 9.641 1.00 0.00 C ATOM 889 C LEU A 59 -9.107 0.340 10.140 1.00 0.00 C ATOM 890 O LEU A 59 -8.829 -0.801 10.504 1.00 0.00 O ATOM 891 CB LEU A 59 -7.084 1.789 10.748 1.00 0.00 C ATOM 892 CG LEU A 59 -6.244 3.022 10.409 1.00 0.00 C ATOM 893 CD1 LEU A 59 -5.258 3.341 11.534 1.00 0.00 C ATOM 894 CD2 LEU A 59 -5.538 2.850 9.061 1.00 0.00 C ATOM 0 H LEU A 59 -8.428 3.317 9.346 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.379 0.712 8.963 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.688 2.016 11.626 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.409 0.979 11.026 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.914 3.877 10.316 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.674 4.222 11.267 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.807 3.536 12.455 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.589 2.493 11.683 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.948 3.740 8.843 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.882 1.981 9.102 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.281 2.707 8.277 1.00 0.00 H new ATOM 906 N ASP A 60 -10.329 0.850 10.140 1.00 0.00 N ATOM 907 CA ASP A 60 -11.468 0.068 10.589 1.00 0.00 C ATOM 908 C ASP A 60 -11.758 -1.033 9.566 1.00 0.00 C ATOM 909 O ASP A 60 -12.363 -2.051 9.900 1.00 0.00 O ATOM 910 CB ASP A 60 -12.720 0.938 10.714 1.00 0.00 C ATOM 911 CG ASP A 60 -12.504 2.285 11.406 1.00 0.00 C ATOM 912 OD1 ASP A 60 -11.755 2.296 12.407 1.00 0.00 O ATOM 913 OD2 ASP A 60 -13.092 3.274 10.918 1.00 0.00 O ATOM 0 H ASP A 60 -10.556 1.797 9.836 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.224 -0.354 11.564 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.120 1.119 9.716 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.478 0.381 11.265 1.00 0.00 H new ATOM 918 N VAL A 61 -11.313 -0.791 8.342 1.00 0.00 N ATOM 919 CA VAL A 61 -11.517 -1.750 7.269 1.00 0.00 C ATOM 920 C VAL A 61 -10.446 -2.839 7.353 1.00 0.00 C ATOM 921 O VAL A 61 -10.742 -4.021 7.175 1.00 0.00 O ATOM 922 CB VAL A 61 -11.532 -1.029 5.920 1.00 0.00 C ATOM 923 CG1 VAL A 61 -12.232 0.326 6.029 1.00 0.00 C ATOM 924 CG2 VAL A 61 -10.114 -0.870 5.369 1.00 0.00 C ATOM 0 H VAL A 61 -10.812 0.055 8.069 1.00 0.00 H new ATOM 0 HA VAL A 61 -12.486 -2.239 7.373 1.00 0.00 H new ATOM 0 HB VAL A 61 -12.098 -1.642 5.219 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -12.228 0.817 5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -13.261 0.179 6.357 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -11.706 0.950 6.752 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.152 -0.355 4.409 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.514 -0.289 6.070 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.663 -1.853 5.235 1.00 0.00 H new ATOM 934 N VAL A 62 -9.225 -2.404 7.624 1.00 0.00 N ATOM 935 CA VAL A 62 -8.108 -3.328 7.734 1.00 0.00 C ATOM 936 C VAL A 62 -8.118 -3.970 9.124 1.00 0.00 C ATOM 937 O VAL A 62 -7.972 -5.184 9.251 1.00 0.00 O ATOM 938 CB VAL A 62 -6.798 -2.605 7.418 1.00 0.00 C ATOM 939 CG1 VAL A 62 -6.439 -2.742 5.938 1.00 0.00 C ATOM 940 CG2 VAL A 62 -6.871 -1.133 7.830 1.00 0.00 C ATOM 0 H VAL A 62 -8.984 -1.424 7.771 1.00 0.00 H new ATOM 0 HA VAL A 62 -8.203 -4.132 7.004 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.006 -3.077 8.000 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.503 -2.219 5.741 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.325 -3.797 5.687 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.233 -2.308 5.329 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.927 -0.642 7.594 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.680 -0.643 7.288 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.058 -1.064 8.902 1.00 0.00 H new ATOM 950 N ASP A 63 -8.290 -3.124 10.129 1.00 0.00 N ATOM 951 CA ASP A 63 -8.321 -3.594 11.503 1.00 0.00 C ATOM 952 C ASP A 63 -9.636 -3.164 12.156 1.00 0.00 C ATOM 953 O ASP A 63 -9.821 -1.991 12.474 1.00 0.00 O ATOM 954 CB ASP A 63 -7.172 -2.993 12.316 1.00 0.00 C ATOM 955 CG ASP A 63 -6.985 -1.483 12.152 1.00 0.00 C ATOM 956 OD1 ASP A 63 -7.786 -0.743 12.762 1.00 0.00 O ATOM 957 OD2 ASP A 63 -6.046 -1.104 11.421 1.00 0.00 O ATOM 0 H ASP A 63 -8.409 -2.117 10.019 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.226 -4.680 11.490 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.340 -3.211 13.371 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.246 -3.492 12.031 1.00 0.00 H new ATOM 962 N PRO A 64 -10.540 -4.164 12.339 1.00 0.00 N ATOM 963 CA PRO A 64 -11.833 -3.902 12.949 1.00 0.00 C ATOM 964 C PRO A 64 -11.697 -3.700 14.459 1.00 0.00 C ATOM 965 O PRO A 64 -12.336 -2.817 15.030 1.00 0.00 O ATOM 966 CB PRO A 64 -12.690 -5.104 12.585 1.00 0.00 C ATOM 967 CG PRO A 64 -11.719 -6.203 12.185 1.00 0.00 C ATOM 968 CD PRO A 64 -10.355 -5.565 11.975 1.00 0.00 C ATOM 0 HA PRO A 64 -12.289 -2.980 12.588 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -13.305 -5.415 13.429 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.369 -4.866 11.766 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.668 -6.968 12.960 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -12.055 -6.696 11.273 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.596 -6.039 12.598 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -10.026 -5.665 10.941 1.00 0.00 H new ATOM 976 N ASP A 65 -10.862 -4.532 15.063 1.00 0.00 N ATOM 977 CA ASP A 65 -10.635 -4.457 16.495 1.00 0.00 C ATOM 978 C ASP A 65 -9.215 -3.949 16.756 1.00 0.00 C ATOM 979 O ASP A 65 -8.808 -3.795 17.907 1.00 0.00 O ATOM 980 CB ASP A 65 -10.773 -5.833 17.148 1.00 0.00 C ATOM 981 CG ASP A 65 -11.930 -5.963 18.142 1.00 0.00 C ATOM 982 OD1 ASP A 65 -12.189 -4.964 18.847 1.00 0.00 O ATOM 983 OD2 ASP A 65 -12.530 -7.059 18.171 1.00 0.00 O ATOM 0 H ASP A 65 -10.334 -5.262 14.586 1.00 0.00 H new ATOM 0 HA ASP A 65 -11.378 -3.781 16.919 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.901 -6.580 16.364 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.842 -6.069 17.664 1.00 0.00 H new ATOM 988 N GLY A 66 -8.499 -3.705 15.668 1.00 0.00 N ATOM 989 CA GLY A 66 -7.133 -3.220 15.764 1.00 0.00 C ATOM 990 C GLY A 66 -6.132 -4.332 15.445 1.00 0.00 C ATOM 991 O GLY A 66 -5.107 -4.460 16.112 1.00 0.00 O ATOM 0 H GLY A 66 -8.840 -3.834 14.715 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.990 -2.388 15.074 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.949 -2.837 16.768 1.00 0.00 H new ATOM 995 N ASN A 67 -6.463 -5.108 14.423 1.00 0.00 N ATOM 996 CA ASN A 67 -5.606 -6.205 14.007 1.00 0.00 C ATOM 997 C ASN A 67 -4.183 -5.684 13.800 1.00 0.00 C ATOM 998 O ASN A 67 -3.213 -6.386 14.082 1.00 0.00 O ATOM 999 CB ASN A 67 -6.085 -6.808 12.686 1.00 0.00 C ATOM 1000 CG ASN A 67 -5.314 -6.220 11.503 1.00 0.00 C ATOM 1001 OD1 ASN A 67 -5.743 -5.280 10.855 1.00 0.00 O ATOM 1002 ND2 ASN A 67 -4.156 -6.826 11.257 1.00 0.00 N ATOM 0 H ASN A 67 -7.313 -4.998 13.871 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.636 -6.969 14.784 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.955 -7.890 12.708 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.151 -6.618 12.561 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.568 -6.509 10.486 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.856 -7.608 11.839 1.00 0.00 H new ATOM 1009 N LEU A 68 -4.102 -4.456 13.307 1.00 0.00 N ATOM 1010 CA LEU A 68 -2.813 -3.832 13.059 1.00 0.00 C ATOM 1011 C LEU A 68 -3.019 -2.345 12.760 1.00 0.00 C ATOM 1012 O LEU A 68 -4.137 -1.840 12.854 1.00 0.00 O ATOM 1013 CB LEU A 68 -2.059 -4.582 11.959 1.00 0.00 C ATOM 1014 CG LEU A 68 -2.338 -4.128 10.525 1.00 0.00 C ATOM 1015 CD1 LEU A 68 -3.617 -3.292 10.454 1.00 0.00 C ATOM 1016 CD2 LEU A 68 -1.135 -3.387 9.940 1.00 0.00 C ATOM 0 H LEU A 68 -4.908 -3.877 13.073 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.182 -3.894 13.946 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.990 -4.485 12.148 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.302 -5.642 12.037 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.498 -5.014 9.911 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.792 -2.982 9.424 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.461 -3.888 10.802 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.511 -2.410 11.085 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.360 -3.075 8.920 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.918 -2.509 10.548 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.268 -4.048 9.934 1.00 0.00 H new ATOM 1028 N HIS A 69 -1.925 -1.689 12.405 1.00 0.00 N ATOM 1029 CA HIS A 69 -1.972 -0.271 12.091 1.00 0.00 C ATOM 1030 C HIS A 69 -0.959 0.044 10.989 1.00 0.00 C ATOM 1031 O HIS A 69 0.242 -0.153 11.170 1.00 0.00 O ATOM 1032 CB HIS A 69 -1.761 0.572 13.351 1.00 0.00 C ATOM 1033 CG HIS A 69 -2.976 0.660 14.241 1.00 0.00 C ATOM 1034 ND1 HIS A 69 -4.233 0.990 13.765 1.00 0.00 N ATOM 1035 CD2 HIS A 69 -3.114 0.459 15.584 1.00 0.00 C ATOM 1036 CE1 HIS A 69 -5.080 0.986 14.782 1.00 0.00 C ATOM 1037 NE2 HIS A 69 -4.385 0.656 15.908 1.00 0.00 N ATOM 0 H HIS A 69 -1.000 -2.113 12.328 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.960 -0.011 11.712 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -0.934 0.151 13.923 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.465 1.579 13.057 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -2.323 0.186 16.267 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -6.136 1.206 14.729 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -4.778 0.574 16.846 1.00 0.00 H new ATOM 1046 N HIS A 70 -1.480 0.531 9.872 1.00 0.00 N ATOM 1047 CA HIS A 70 -0.635 0.875 8.741 1.00 0.00 C ATOM 1048 C HIS A 70 0.603 1.626 9.235 1.00 0.00 C ATOM 1049 O HIS A 70 0.516 2.437 10.156 1.00 0.00 O ATOM 1050 CB HIS A 70 -1.426 1.661 7.693 1.00 0.00 C ATOM 1051 CG HIS A 70 -0.867 1.554 6.294 1.00 0.00 C ATOM 1052 ND1 HIS A 70 -1.032 0.595 5.340 1.00 0.00 N flip ATOM 1053 CD2 HIS A 70 -0.031 2.511 5.746 1.00 0.00 C flip ATOM 1054 CE1 HIS A 70 -0.335 0.946 4.266 1.00 0.00 C flip ATOM 1055 NE2 HIS A 70 0.286 2.134 4.516 1.00 0.00 N flip ATOM 0 H HIS A 70 -2.476 0.695 9.726 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.292 -0.035 8.248 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -2.457 1.307 7.689 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.451 2.711 7.984 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -1.596 -0.250 5.435 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.306 3.412 6.237 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.270 0.384 3.346 1.00 0.00 H new ATOM 1064 N GLY A 71 1.729 1.327 8.601 1.00 0.00 N ATOM 1065 CA GLY A 71 2.983 1.964 8.965 1.00 0.00 C ATOM 1066 C GLY A 71 3.600 1.296 10.195 1.00 0.00 C ATOM 1067 O GLY A 71 4.799 1.018 10.219 1.00 0.00 O ATOM 0 H GLY A 71 1.798 0.653 7.839 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.680 1.908 8.129 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.813 3.021 9.168 1.00 0.00 H new ATOM 1071 N ASN A 72 2.755 1.056 11.186 1.00 0.00 N ATOM 1072 CA ASN A 72 3.202 0.424 12.415 1.00 0.00 C ATOM 1073 C ASN A 72 2.299 -0.771 12.728 1.00 0.00 C ATOM 1074 O ASN A 72 1.402 -0.674 13.564 1.00 0.00 O ATOM 1075 CB ASN A 72 3.124 1.396 13.593 1.00 0.00 C ATOM 1076 CG ASN A 72 3.848 0.835 14.817 1.00 0.00 C ATOM 1077 OD1 ASN A 72 4.589 -0.133 14.744 1.00 0.00 O ATOM 1078 ND2 ASN A 72 3.595 1.492 15.946 1.00 0.00 N ATOM 0 H ASN A 72 1.762 1.288 11.163 1.00 0.00 H new ATOM 0 HA ASN A 72 4.236 0.108 12.275 1.00 0.00 H new ATOM 0 HB2 ASN A 72 3.567 2.351 13.311 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.080 1.589 13.841 1.00 0.00 H new ATOM 0 HD21 ASN A 72 4.031 1.193 16.818 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.965 2.294 15.939 1.00 0.00 H new ATOM 1085 N ALA A 73 2.568 -1.871 12.040 1.00 0.00 N ATOM 1086 CA ALA A 73 1.792 -3.084 12.235 1.00 0.00 C ATOM 1087 C ALA A 73 1.999 -3.594 13.661 1.00 0.00 C ATOM 1088 O ALA A 73 3.133 -3.706 14.125 1.00 0.00 O ATOM 1089 CB ALA A 73 2.190 -4.120 11.181 1.00 0.00 C ATOM 0 H ALA A 73 3.312 -1.948 11.347 1.00 0.00 H new ATOM 0 HA ALA A 73 0.728 -2.883 12.109 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.608 -5.030 11.327 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.995 -3.720 10.186 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.251 -4.349 11.278 1.00 0.00 H new ATOM 1095 N LYS A 74 0.887 -3.890 14.317 1.00 0.00 N ATOM 1096 CA LYS A 74 0.933 -4.387 15.683 1.00 0.00 C ATOM 1097 C LYS A 74 1.712 -5.703 15.716 1.00 0.00 C ATOM 1098 O LYS A 74 2.060 -6.249 14.670 1.00 0.00 O ATOM 1099 CB LYS A 74 -0.479 -4.493 16.262 1.00 0.00 C ATOM 1100 CG LYS A 74 -0.511 -4.025 17.717 1.00 0.00 C ATOM 1101 CD LYS A 74 -0.099 -2.556 17.831 1.00 0.00 C ATOM 1102 CE LYS A 74 1.065 -2.387 18.809 1.00 0.00 C ATOM 1103 NZ LYS A 74 1.525 -0.980 18.831 1.00 0.00 N ATOM 0 H LYS A 74 -0.052 -3.796 13.929 1.00 0.00 H new ATOM 0 HA LYS A 74 1.464 -3.686 16.326 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.166 -3.891 15.667 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.825 -5.525 16.200 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.514 -4.157 18.123 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.159 -4.642 18.316 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.188 -2.178 16.850 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.949 -1.961 18.166 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.754 -2.690 19.809 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.888 -3.040 18.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.315 -0.884 19.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.841 -0.703 17.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.742 -0.363 19.129 1.00 0.00 H new ATOM 1117 N ASP A 75 1.963 -6.174 16.928 1.00 0.00 N ATOM 1118 CA ASP A 75 2.695 -7.415 17.113 1.00 0.00 C ATOM 1119 C ASP A 75 1.820 -8.589 16.666 1.00 0.00 C ATOM 1120 O ASP A 75 2.246 -9.741 16.720 1.00 0.00 O ATOM 1121 CB ASP A 75 3.057 -7.630 18.584 1.00 0.00 C ATOM 1122 CG ASP A 75 3.817 -6.474 19.237 1.00 0.00 C ATOM 1123 OD1 ASP A 75 4.583 -5.812 18.504 1.00 0.00 O ATOM 1124 OD2 ASP A 75 3.615 -6.279 20.455 1.00 0.00 O ATOM 0 H ASP A 75 1.672 -5.718 17.793 1.00 0.00 H new ATOM 0 HA ASP A 75 3.609 -7.357 16.522 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.140 -7.806 19.146 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.660 -8.534 18.666 1.00 0.00 H new ATOM 1129 N PHE A 76 0.614 -8.255 16.232 1.00 0.00 N ATOM 1130 CA PHE A 76 -0.325 -9.266 15.776 1.00 0.00 C ATOM 1131 C PHE A 76 -0.147 -9.543 14.282 1.00 0.00 C ATOM 1132 O PHE A 76 -0.127 -10.699 13.860 1.00 0.00 O ATOM 1133 CB PHE A 76 -1.730 -8.713 16.016 1.00 0.00 C ATOM 1134 CG PHE A 76 -2.226 -8.876 17.455 1.00 0.00 C ATOM 1135 CD1 PHE A 76 -1.714 -8.094 18.443 1.00 0.00 C ATOM 1136 CD2 PHE A 76 -3.177 -9.804 17.745 1.00 0.00 C ATOM 1137 CE1 PHE A 76 -2.176 -8.245 19.778 1.00 0.00 C ATOM 1138 CE2 PHE A 76 -3.637 -9.955 19.079 1.00 0.00 C ATOM 1139 CZ PHE A 76 -3.126 -9.174 20.068 1.00 0.00 C ATOM 0 H PHE A 76 0.265 -7.298 16.186 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.158 -10.199 16.314 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.742 -7.654 15.756 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.426 -9.214 15.344 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.957 -7.359 18.213 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.582 -10.426 16.960 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.773 -7.622 20.563 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.393 -10.691 19.309 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.474 -9.291 21.083 1.00 0.00 H new ATOM 1149 N ALA A 77 -0.023 -8.466 13.523 1.00 0.00 N ATOM 1150 CA ALA A 77 0.152 -8.579 12.085 1.00 0.00 C ATOM 1151 C ALA A 77 1.503 -9.233 11.790 1.00 0.00 C ATOM 1152 O ALA A 77 1.562 -10.281 11.146 1.00 0.00 O ATOM 1153 CB ALA A 77 0.022 -7.196 11.444 1.00 0.00 C ATOM 0 H ALA A 77 -0.040 -7.509 13.876 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.623 -9.213 11.653 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.153 -7.281 10.365 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.965 -6.787 11.658 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.785 -6.533 11.851 1.00 0.00 H new ATOM 1159 N MET A 78 2.556 -8.590 12.273 1.00 0.00 N ATOM 1160 CA MET A 78 3.901 -9.096 12.069 1.00 0.00 C ATOM 1161 C MET A 78 4.185 -10.286 12.989 1.00 0.00 C ATOM 1162 O MET A 78 5.271 -10.392 13.555 1.00 0.00 O ATOM 1163 CB MET A 78 4.913 -7.983 12.348 1.00 0.00 C ATOM 1164 CG MET A 78 4.714 -7.397 13.748 1.00 0.00 C ATOM 1165 SD MET A 78 5.877 -8.127 14.887 1.00 0.00 S ATOM 1166 CE MET A 78 4.793 -9.236 15.771 1.00 0.00 C ATOM 0 H MET A 78 2.504 -7.722 12.806 1.00 0.00 H new ATOM 0 HA MET A 78 3.990 -9.430 11.035 1.00 0.00 H new ATOM 0 HB2 MET A 78 5.925 -8.376 12.255 1.00 0.00 H new ATOM 0 HB3 MET A 78 4.807 -7.195 11.602 1.00 0.00 H new ATOM 0 HG2 MET A 78 4.849 -6.316 13.721 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.695 -7.583 14.087 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.709 -8.912 16.808 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.807 -9.228 15.307 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.201 -10.246 15.738 1.00 0.00 H new ATOM 1176 N LYS A 79 3.187 -11.149 13.111 1.00 0.00 N ATOM 1177 CA LYS A 79 3.316 -12.328 13.951 1.00 0.00 C ATOM 1178 C LYS A 79 2.573 -13.497 13.301 1.00 0.00 C ATOM 1179 O LYS A 79 3.165 -14.541 13.034 1.00 0.00 O ATOM 1180 CB LYS A 79 2.853 -12.021 15.377 1.00 0.00 C ATOM 1181 CG LYS A 79 2.820 -13.292 16.229 1.00 0.00 C ATOM 1182 CD LYS A 79 1.772 -13.183 17.338 1.00 0.00 C ATOM 1183 CE LYS A 79 2.436 -13.097 18.714 1.00 0.00 C ATOM 1184 NZ LYS A 79 2.109 -14.292 19.523 1.00 0.00 N ATOM 0 H LYS A 79 2.286 -11.055 12.642 1.00 0.00 H new ATOM 0 HA LYS A 79 4.362 -12.624 14.036 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.523 -11.292 15.832 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.861 -11.570 15.352 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.597 -14.152 15.597 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.802 -13.465 16.668 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.153 -12.301 17.173 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.110 -14.048 17.303 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.517 -13.014 18.598 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.100 -12.198 19.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.567 -14.217 20.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.079 -14.355 19.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.451 -15.145 19.036 1.00 0.00 H new ATOM 1198 N HIS A 80 1.286 -13.282 13.068 1.00 0.00 N ATOM 1199 CA HIS A 80 0.456 -14.304 12.455 1.00 0.00 C ATOM 1200 C HIS A 80 0.849 -14.472 10.986 1.00 0.00 C ATOM 1201 O HIS A 80 0.330 -15.349 10.296 1.00 0.00 O ATOM 1202 CB HIS A 80 -1.028 -13.982 12.638 1.00 0.00 C ATOM 1203 CG HIS A 80 -1.447 -12.658 12.044 1.00 0.00 C ATOM 1204 ND1 HIS A 80 -0.999 -12.214 10.813 1.00 0.00 N ATOM 1205 CD2 HIS A 80 -2.278 -11.688 12.525 1.00 0.00 C ATOM 1206 CE1 HIS A 80 -1.541 -11.028 10.574 1.00 0.00 C ATOM 1207 NE2 HIS A 80 -2.331 -10.705 11.636 1.00 0.00 N ATOM 0 H HIS A 80 0.798 -12.415 13.293 1.00 0.00 H new ATOM 0 HA HIS A 80 0.624 -15.259 12.952 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.620 -14.776 12.184 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -1.260 -13.981 13.703 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.803 -11.716 13.468 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.384 -10.424 9.693 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -2.875 -9.847 11.732 1.00 0.00 H new ATOM 1216 N GLY A 81 1.762 -13.617 10.549 1.00 0.00 N ATOM 1217 CA GLY A 81 2.231 -13.659 9.175 1.00 0.00 C ATOM 1218 C GLY A 81 3.665 -13.139 9.068 1.00 0.00 C ATOM 1219 O GLY A 81 3.997 -12.407 8.137 1.00 0.00 O ATOM 0 H GLY A 81 2.190 -12.890 11.123 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.183 -14.682 8.802 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.575 -13.059 8.545 1.00 0.00 H new ATOM 1223 N ALA A 82 4.478 -13.538 10.036 1.00 0.00 N ATOM 1224 CA ALA A 82 5.871 -13.121 10.062 1.00 0.00 C ATOM 1225 C ALA A 82 6.761 -14.346 10.284 1.00 0.00 C ATOM 1226 O ALA A 82 6.485 -15.168 11.156 1.00 0.00 O ATOM 1227 CB ALA A 82 6.064 -12.056 11.144 1.00 0.00 C ATOM 0 H ALA A 82 4.200 -14.145 10.807 1.00 0.00 H new ATOM 0 HA ALA A 82 6.157 -12.674 9.110 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.108 -11.743 11.164 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.431 -11.196 10.925 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.790 -12.470 12.115 1.00 0.00 H new ATOM 1233 N ASP A 83 7.810 -14.428 9.480 1.00 0.00 N ATOM 1234 CA ASP A 83 8.743 -15.538 9.578 1.00 0.00 C ATOM 1235 C ASP A 83 9.712 -15.284 10.733 1.00 0.00 C ATOM 1236 O ASP A 83 10.165 -14.159 10.933 1.00 0.00 O ATOM 1237 CB ASP A 83 9.564 -15.682 8.295 1.00 0.00 C ATOM 1238 CG ASP A 83 8.982 -16.647 7.260 1.00 0.00 C ATOM 1239 OD1 ASP A 83 8.170 -16.173 6.435 1.00 0.00 O ATOM 1240 OD2 ASP A 83 9.363 -17.836 7.316 1.00 0.00 O ATOM 0 H ASP A 83 8.035 -13.744 8.758 1.00 0.00 H new ATOM 0 HA ASP A 83 8.167 -16.449 9.742 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.667 -14.699 7.835 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.567 -16.018 8.559 1.00 0.00 H new ATOM 1245 N GLU A 84 10.002 -16.350 11.465 1.00 0.00 N ATOM 1246 CA GLU A 84 10.911 -16.257 12.596 1.00 0.00 C ATOM 1247 C GLU A 84 12.096 -15.354 12.251 1.00 0.00 C ATOM 1248 O GLU A 84 12.639 -14.675 13.122 1.00 0.00 O ATOM 1249 CB GLU A 84 11.387 -17.644 13.032 1.00 0.00 C ATOM 1250 CG GLU A 84 11.021 -17.913 14.494 1.00 0.00 C ATOM 1251 CD GLU A 84 11.818 -19.094 15.049 1.00 0.00 C ATOM 1252 OE1 GLU A 84 12.966 -18.852 15.481 1.00 0.00 O ATOM 1253 OE2 GLU A 84 11.263 -20.214 15.030 1.00 0.00 O ATOM 0 H GLU A 84 9.624 -17.282 11.297 1.00 0.00 H new ATOM 0 HA GLU A 84 10.373 -15.814 13.434 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.936 -18.405 12.394 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.467 -17.719 12.904 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.218 -17.023 15.092 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.954 -18.120 14.573 1.00 0.00 H new ATOM 1260 N THR A 85 12.466 -15.376 10.978 1.00 0.00 N ATOM 1261 CA THR A 85 13.578 -14.568 10.508 1.00 0.00 C ATOM 1262 C THR A 85 13.152 -13.106 10.365 1.00 0.00 C ATOM 1263 O THR A 85 13.888 -12.199 10.753 1.00 0.00 O ATOM 1264 CB THR A 85 14.090 -15.182 9.204 1.00 0.00 C ATOM 1265 OG1 THR A 85 15.472 -14.833 9.175 1.00 0.00 O ATOM 1266 CG2 THR A 85 13.508 -14.499 7.966 1.00 0.00 C ATOM 0 H THR A 85 12.015 -15.941 10.258 1.00 0.00 H new ATOM 0 HA THR A 85 14.397 -14.566 11.227 1.00 0.00 H new ATOM 0 HB THR A 85 13.843 -16.243 9.182 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.883 -15.194 8.362 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.904 -14.974 7.068 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.422 -14.592 7.976 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.782 -13.444 7.970 1.00 0.00 H new ATOM 1274 N MET A 86 11.965 -12.922 9.805 1.00 0.00 N ATOM 1275 CA MET A 86 11.431 -11.585 9.605 1.00 0.00 C ATOM 1276 C MET A 86 11.421 -10.797 10.917 1.00 0.00 C ATOM 1277 O MET A 86 11.522 -9.571 10.910 1.00 0.00 O ATOM 1278 CB MET A 86 10.007 -11.679 9.056 1.00 0.00 C ATOM 1279 CG MET A 86 8.979 -11.656 10.189 1.00 0.00 C ATOM 1280 SD MET A 86 8.571 -9.969 10.607 1.00 0.00 S ATOM 1281 CE MET A 86 8.232 -10.156 12.349 1.00 0.00 C ATOM 0 H MET A 86 11.358 -13.676 9.484 1.00 0.00 H new ATOM 0 HA MET A 86 12.070 -11.063 8.893 1.00 0.00 H new ATOM 0 HB2 MET A 86 9.821 -10.849 8.375 1.00 0.00 H new ATOM 0 HB3 MET A 86 9.896 -12.597 8.478 1.00 0.00 H new ATOM 0 HG2 MET A 86 8.080 -12.192 9.886 1.00 0.00 H new ATOM 0 HG3 MET A 86 9.378 -12.170 11.064 1.00 0.00 H new ATOM 0 HE1 MET A 86 7.160 -10.061 12.523 1.00 0.00 H new ATOM 0 HE2 MET A 86 8.568 -11.138 12.682 1.00 0.00 H new ATOM 0 HE3 MET A 86 8.760 -9.383 12.907 1.00 0.00 H new ATOM 1291 N ALA A 87 11.296 -11.533 12.011 1.00 0.00 N ATOM 1292 CA ALA A 87 11.272 -10.919 13.328 1.00 0.00 C ATOM 1293 C ALA A 87 12.505 -10.029 13.495 1.00 0.00 C ATOM 1294 O ALA A 87 12.389 -8.862 13.863 1.00 0.00 O ATOM 1295 CB ALA A 87 11.188 -12.008 14.399 1.00 0.00 C ATOM 0 H ALA A 87 11.210 -12.549 12.013 1.00 0.00 H new ATOM 0 HA ALA A 87 10.392 -10.285 13.439 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.170 -11.547 15.386 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.279 -12.591 14.254 1.00 0.00 H new ATOM 0 HB3 ALA A 87 12.055 -12.663 14.320 1.00 0.00 H new ATOM 1301 N GLN A 88 13.660 -10.617 13.216 1.00 0.00 N ATOM 1302 CA GLN A 88 14.914 -9.893 13.331 1.00 0.00 C ATOM 1303 C GLN A 88 15.314 -9.304 11.977 1.00 0.00 C ATOM 1304 O GLN A 88 15.746 -8.155 11.899 1.00 0.00 O ATOM 1305 CB GLN A 88 16.020 -10.797 13.883 1.00 0.00 C ATOM 1306 CG GLN A 88 17.388 -10.120 13.773 1.00 0.00 C ATOM 1307 CD GLN A 88 18.309 -10.898 12.831 1.00 0.00 C ATOM 1308 OE1 GLN A 88 18.079 -10.671 11.541 1.00 0.00 O flip ATOM 1309 NE2 GLN A 88 19.171 -11.651 13.248 1.00 0.00 N flip ATOM 0 H GLN A 88 13.753 -11.586 12.911 1.00 0.00 H new ATOM 0 HA GLN A 88 14.774 -9.073 14.035 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.812 -11.037 14.926 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.032 -11.739 13.335 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.265 -9.100 13.408 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.845 -10.052 14.760 1.00 0.00 H new ATOM 0 HE21 GLN A 88 19.294 -11.779 14.252 1.00 0.00 H new ATOM 0 HE22 GLN A 88 19.770 -12.153 12.593 1.00 0.00 H new ATOM 1318 N GLN A 89 15.154 -10.118 10.943 1.00 0.00 N ATOM 1319 CA GLN A 89 15.493 -9.692 9.596 1.00 0.00 C ATOM 1320 C GLN A 89 14.936 -8.293 9.326 1.00 0.00 C ATOM 1321 O GLN A 89 15.690 -7.366 9.035 1.00 0.00 O ATOM 1322 CB GLN A 89 14.983 -10.695 8.560 1.00 0.00 C ATOM 1323 CG GLN A 89 15.993 -11.825 8.346 1.00 0.00 C ATOM 1324 CD GLN A 89 16.116 -12.177 6.862 1.00 0.00 C ATOM 1325 OE1 GLN A 89 15.203 -12.700 6.245 1.00 0.00 O ATOM 1326 NE2 GLN A 89 17.292 -11.861 6.326 1.00 0.00 N ATOM 0 H GLN A 89 14.794 -11.070 11.011 1.00 0.00 H new ATOM 0 HA GLN A 89 16.579 -9.652 9.510 1.00 0.00 H new ATOM 0 HB2 GLN A 89 14.031 -11.111 8.890 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.798 -10.184 7.615 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.967 -11.526 8.734 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.683 -12.706 8.908 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.013 -11.424 6.900 1.00 0.00 H new ATOM 0 HE22 GLN A 89 17.472 -12.055 5.341 1.00 0.00 H new ATOM 1335 N LEU A 90 13.620 -8.185 9.433 1.00 0.00 N ATOM 1336 CA LEU A 90 12.952 -6.914 9.203 1.00 0.00 C ATOM 1337 C LEU A 90 13.704 -5.807 9.947 1.00 0.00 C ATOM 1338 O LEU A 90 13.936 -4.732 9.396 1.00 0.00 O ATOM 1339 CB LEU A 90 11.472 -7.011 9.579 1.00 0.00 C ATOM 1340 CG LEU A 90 10.604 -7.881 8.666 1.00 0.00 C ATOM 1341 CD1 LEU A 90 9.125 -7.525 8.815 1.00 0.00 C ATOM 1342 CD2 LEU A 90 11.073 -7.788 7.213 1.00 0.00 C ATOM 0 H LEU A 90 12.998 -8.956 9.676 1.00 0.00 H new ATOM 0 HA LEU A 90 12.972 -6.659 8.144 1.00 0.00 H new ATOM 0 HB2 LEU A 90 11.400 -7.400 10.595 1.00 0.00 H new ATOM 0 HB3 LEU A 90 11.054 -6.004 9.593 1.00 0.00 H new ATOM 0 HG LEU A 90 10.717 -8.920 8.975 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.530 -8.157 8.156 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.815 -7.684 9.848 1.00 0.00 H new ATOM 0 HD13 LEU A 90 8.974 -6.479 8.548 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.440 -8.415 6.585 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.008 -6.754 6.875 1.00 0.00 H new ATOM 0 HD23 LEU A 90 12.106 -8.129 7.142 1.00 0.00 H new ATOM 1354 N VAL A 91 14.064 -6.109 11.185 1.00 0.00 N ATOM 1355 CA VAL A 91 14.783 -5.154 12.009 1.00 0.00 C ATOM 1356 C VAL A 91 16.062 -4.723 11.286 1.00 0.00 C ATOM 1357 O VAL A 91 16.678 -3.724 11.650 1.00 0.00 O ATOM 1358 CB VAL A 91 15.051 -5.751 13.392 1.00 0.00 C ATOM 1359 CG1 VAL A 91 15.348 -4.654 14.416 1.00 0.00 C ATOM 1360 CG2 VAL A 91 13.881 -6.626 13.848 1.00 0.00 C ATOM 0 H VAL A 91 13.871 -7.002 11.638 1.00 0.00 H new ATOM 0 HA VAL A 91 14.181 -4.259 12.168 1.00 0.00 H new ATOM 0 HB VAL A 91 15.934 -6.385 13.317 1.00 0.00 H new ATOM 0 HG11 VAL A 91 15.535 -5.106 15.390 1.00 0.00 H new ATOM 0 HG12 VAL A 91 16.228 -4.092 14.102 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.494 -3.981 14.486 1.00 0.00 H new ATOM 0 HG21 VAL A 91 14.097 -7.038 14.834 1.00 0.00 H new ATOM 0 HG22 VAL A 91 12.974 -6.024 13.897 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.737 -7.440 13.138 1.00 0.00 H new ATOM 1370 N ASP A 92 16.421 -5.501 10.275 1.00 0.00 N ATOM 1371 CA ASP A 92 17.613 -5.212 9.496 1.00 0.00 C ATOM 1372 C ASP A 92 17.323 -4.058 8.536 1.00 0.00 C ATOM 1373 O ASP A 92 17.827 -2.952 8.719 1.00 0.00 O ATOM 1374 CB ASP A 92 18.034 -6.426 8.666 1.00 0.00 C ATOM 1375 CG ASP A 92 18.184 -7.730 9.453 1.00 0.00 C ATOM 1376 OD1 ASP A 92 17.927 -7.686 10.676 1.00 0.00 O ATOM 1377 OD2 ASP A 92 18.553 -8.738 8.816 1.00 0.00 O ATOM 0 H ASP A 92 15.908 -6.331 9.978 1.00 0.00 H new ATOM 0 HA ASP A 92 18.414 -4.953 10.188 1.00 0.00 H new ATOM 0 HB2 ASP A 92 17.299 -6.579 7.876 1.00 0.00 H new ATOM 0 HB3 ASP A 92 18.983 -6.202 8.179 1.00 0.00 H new ATOM 1382 N ILE A 93 16.514 -4.357 7.530 1.00 0.00 N ATOM 1383 CA ILE A 93 16.151 -3.358 6.539 1.00 0.00 C ATOM 1384 C ILE A 93 15.386 -2.221 7.222 1.00 0.00 C ATOM 1385 O ILE A 93 15.679 -1.049 6.999 1.00 0.00 O ATOM 1386 CB ILE A 93 15.388 -4.003 5.381 1.00 0.00 C ATOM 1387 CG1 ILE A 93 13.880 -3.987 5.641 1.00 0.00 C ATOM 1388 CG2 ILE A 93 15.905 -5.416 5.103 1.00 0.00 C ATOM 1389 CD1 ILE A 93 13.478 -5.103 6.606 1.00 0.00 C ATOM 0 H ILE A 93 16.100 -5.277 7.380 1.00 0.00 H new ATOM 0 HA ILE A 93 17.045 -2.920 6.096 1.00 0.00 H new ATOM 0 HB ILE A 93 15.567 -3.411 4.483 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.589 -3.021 6.055 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.344 -4.105 4.699 1.00 0.00 H new ATOM 0 HG21 ILE A 93 15.346 -5.852 4.275 1.00 0.00 H new ATOM 0 HG22 ILE A 93 16.963 -5.372 4.843 1.00 0.00 H new ATOM 0 HG23 ILE A 93 15.776 -6.032 5.993 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.401 -5.069 6.774 1.00 0.00 H new ATOM 0 HD12 ILE A 93 13.748 -6.069 6.179 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.997 -4.968 7.555 1.00 0.00 H new ATOM 1401 N ILE A 94 14.421 -2.610 8.041 1.00 0.00 N ATOM 1402 CA ILE A 94 13.611 -1.640 8.760 1.00 0.00 C ATOM 1403 C ILE A 94 14.528 -0.670 9.507 1.00 0.00 C ATOM 1404 O ILE A 94 14.154 0.472 9.762 1.00 0.00 O ATOM 1405 CB ILE A 94 12.599 -2.348 9.662 1.00 0.00 C ATOM 1406 CG1 ILE A 94 11.656 -3.230 8.841 1.00 0.00 C ATOM 1407 CG2 ILE A 94 11.837 -1.342 10.524 1.00 0.00 C ATOM 1408 CD1 ILE A 94 10.194 -2.845 9.082 1.00 0.00 C ATOM 0 H ILE A 94 14.181 -3.584 8.223 1.00 0.00 H new ATOM 0 HA ILE A 94 13.019 -1.047 8.062 1.00 0.00 H new ATOM 0 HB ILE A 94 13.145 -3.004 10.340 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.891 -3.132 7.781 1.00 0.00 H new ATOM 0 HG13 ILE A 94 11.808 -4.276 9.106 1.00 0.00 H new ATOM 0 HG21 ILE A 94 11.124 -1.871 11.156 1.00 0.00 H new ATOM 0 HG22 ILE A 94 12.540 -0.794 11.151 1.00 0.00 H new ATOM 0 HG23 ILE A 94 11.303 -0.643 9.881 1.00 0.00 H new ATOM 0 HD11 ILE A 94 9.546 -3.488 8.486 1.00 0.00 H new ATOM 0 HD12 ILE A 94 9.955 -2.967 10.138 1.00 0.00 H new ATOM 0 HD13 ILE A 94 10.039 -1.805 8.793 1.00 0.00 H new ATOM 1420 N HIS A 95 15.715 -1.164 9.836 1.00 0.00 N ATOM 1421 CA HIS A 95 16.689 -0.354 10.548 1.00 0.00 C ATOM 1422 C HIS A 95 17.337 0.639 9.582 1.00 0.00 C ATOM 1423 O HIS A 95 17.733 1.732 9.983 1.00 0.00 O ATOM 1424 CB HIS A 95 17.710 -1.240 11.264 1.00 0.00 C ATOM 1425 CG HIS A 95 17.389 -1.500 12.716 1.00 0.00 C ATOM 1426 ND1 HIS A 95 18.365 -1.655 13.684 1.00 0.00 N ATOM 1427 CD2 HIS A 95 16.189 -1.631 13.353 1.00 0.00 C ATOM 1428 CE1 HIS A 95 17.770 -1.869 14.848 1.00 0.00 C ATOM 1429 NE2 HIS A 95 16.422 -1.854 14.640 1.00 0.00 N ATOM 0 H HIS A 95 16.022 -2.113 9.623 1.00 0.00 H new ATOM 0 HA HIS A 95 16.189 0.225 11.324 1.00 0.00 H new ATOM 0 HB2 HIS A 95 17.777 -2.194 10.741 1.00 0.00 H new ATOM 0 HB3 HIS A 95 18.692 -0.771 11.198 1.00 0.00 H new ATOM 0 HD2 HIS A 95 15.216 -1.565 12.889 1.00 0.00 H new ATOM 0 HE1 HIS A 95 18.265 -2.027 15.795 1.00 0.00 H new ATOM 0 HE2 HIS A 95 15.710 -1.992 15.357 1.00 0.00 H new ATOM 1438 N GLY A 96 17.427 0.221 8.327 1.00 0.00 N ATOM 1439 CA GLY A 96 18.020 1.061 7.300 1.00 0.00 C ATOM 1440 C GLY A 96 16.970 1.970 6.660 1.00 0.00 C ATOM 1441 O GLY A 96 17.303 3.020 6.112 1.00 0.00 O ATOM 0 H GLY A 96 17.099 -0.687 7.999 1.00 0.00 H new ATOM 0 HA2 GLY A 96 18.814 1.668 7.735 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.480 0.436 6.535 1.00 0.00 H new ATOM 1445 N CYS A 97 15.722 1.534 6.750 1.00 0.00 N ATOM 1446 CA CYS A 97 14.620 2.295 6.186 1.00 0.00 C ATOM 1447 C CYS A 97 14.098 3.252 7.260 1.00 0.00 C ATOM 1448 O CYS A 97 14.145 4.470 7.088 1.00 0.00 O ATOM 1449 CB CYS A 97 13.517 1.382 5.650 1.00 0.00 C ATOM 1450 SG CYS A 97 13.734 0.856 3.911 1.00 0.00 S ATOM 0 H CYS A 97 15.449 0.663 7.205 1.00 0.00 H new ATOM 0 HA CYS A 97 14.973 2.869 5.329 1.00 0.00 H new ATOM 0 HB2 CYS A 97 13.462 0.494 6.279 1.00 0.00 H new ATOM 0 HB3 CYS A 97 12.561 1.898 5.742 1.00 0.00 H new ATOM 1455 N GLU A 98 13.613 2.665 8.343 1.00 0.00 N ATOM 1456 CA GLU A 98 13.081 3.450 9.446 1.00 0.00 C ATOM 1457 C GLU A 98 14.027 4.608 9.777 1.00 0.00 C ATOM 1458 O GLU A 98 13.579 5.694 10.143 1.00 0.00 O ATOM 1459 CB GLU A 98 12.837 2.573 10.676 1.00 0.00 C ATOM 1460 CG GLU A 98 11.901 3.267 11.666 1.00 0.00 C ATOM 1461 CD GLU A 98 12.361 3.041 13.107 1.00 0.00 C ATOM 1462 OE1 GLU A 98 13.201 3.843 13.566 1.00 0.00 O ATOM 1463 OE2 GLU A 98 11.864 2.070 13.718 1.00 0.00 O ATOM 0 H GLU A 98 13.577 1.655 8.482 1.00 0.00 H new ATOM 0 HA GLU A 98 12.121 3.866 9.141 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.405 1.621 10.368 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.787 2.350 11.163 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.870 4.336 11.454 1.00 0.00 H new ATOM 0 HG3 GLU A 98 10.887 2.887 11.541 1.00 0.00 H new ATOM 1470 N LYS A 99 15.315 4.335 9.635 1.00 0.00 N ATOM 1471 CA LYS A 99 16.327 5.341 9.914 1.00 0.00 C ATOM 1472 C LYS A 99 16.321 6.388 8.798 1.00 0.00 C ATOM 1473 O LYS A 99 16.629 7.555 9.035 1.00 0.00 O ATOM 1474 CB LYS A 99 17.691 4.683 10.131 1.00 0.00 C ATOM 1475 CG LYS A 99 18.359 4.352 8.796 1.00 0.00 C ATOM 1476 CD LYS A 99 19.663 5.136 8.627 1.00 0.00 C ATOM 1477 CE LYS A 99 19.420 6.442 7.865 1.00 0.00 C ATOM 1478 NZ LYS A 99 20.403 6.590 6.768 1.00 0.00 N ATOM 0 H LYS A 99 15.682 3.433 9.331 1.00 0.00 H new ATOM 0 HA LYS A 99 16.099 5.863 10.843 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.333 5.350 10.707 1.00 0.00 H new ATOM 0 HB3 LYS A 99 17.570 3.772 10.717 1.00 0.00 H new ATOM 0 HG2 LYS A 99 18.564 3.283 8.743 1.00 0.00 H new ATOM 0 HG3 LYS A 99 17.680 4.588 7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 99 20.090 5.355 9.606 1.00 0.00 H new ATOM 0 HD3 LYS A 99 20.391 4.527 8.091 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.408 6.451 7.459 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.497 7.288 8.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 20.225 7.480 6.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 21.365 6.603 7.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 20.310 5.791 6.109 1.00 0.00 H new ATOM 1492 N SER A 100 15.965 5.933 7.606 1.00 0.00 N ATOM 1493 CA SER A 100 15.916 6.816 6.452 1.00 0.00 C ATOM 1494 C SER A 100 14.490 7.335 6.252 1.00 0.00 C ATOM 1495 O SER A 100 14.251 8.192 5.402 1.00 0.00 O ATOM 1496 CB SER A 100 16.402 6.102 5.190 1.00 0.00 C ATOM 1497 OG SER A 100 17.498 6.779 4.582 1.00 0.00 O ATOM 0 H SER A 100 15.708 4.965 7.414 1.00 0.00 H new ATOM 0 HA SER A 100 16.581 7.659 6.638 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.699 5.084 5.441 1.00 0.00 H new ATOM 0 HB3 SER A 100 15.581 6.028 4.477 1.00 0.00 H new ATOM 0 HG SER A 100 17.206 7.181 3.737 1.00 0.00 H new ATOM 1503 N ALA A 101 13.579 6.793 7.049 1.00 0.00 N ATOM 1504 CA ALA A 101 12.185 7.190 6.970 1.00 0.00 C ATOM 1505 C ALA A 101 11.776 7.865 8.281 1.00 0.00 C ATOM 1506 O ALA A 101 11.198 7.227 9.157 1.00 0.00 O ATOM 1507 CB ALA A 101 11.323 5.968 6.650 1.00 0.00 C ATOM 0 H ALA A 101 13.781 6.082 7.752 1.00 0.00 H new ATOM 0 HA ALA A 101 12.037 7.912 6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.276 6.266 6.591 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.634 5.543 5.695 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.444 5.222 7.435 1.00 0.00 H new ATOM 1513 N PRO A 102 12.102 9.182 8.375 1.00 0.00 N ATOM 1514 CA PRO A 102 11.775 9.952 9.564 1.00 0.00 C ATOM 1515 C PRO A 102 10.281 10.281 9.610 1.00 0.00 C ATOM 1516 O PRO A 102 9.542 9.962 8.680 1.00 0.00 O ATOM 1517 CB PRO A 102 12.654 11.188 9.487 1.00 0.00 C ATOM 1518 CG PRO A 102 13.097 11.294 8.036 1.00 0.00 C ATOM 1519 CD PRO A 102 12.786 9.972 7.355 1.00 0.00 C ATOM 0 HA PRO A 102 11.965 9.403 10.486 1.00 0.00 H new ATOM 0 HB2 PRO A 102 12.104 12.078 9.794 1.00 0.00 H new ATOM 0 HB3 PRO A 102 13.513 11.099 10.152 1.00 0.00 H new ATOM 0 HG2 PRO A 102 12.577 12.112 7.537 1.00 0.00 H new ATOM 0 HG3 PRO A 102 14.163 11.512 7.978 1.00 0.00 H new ATOM 0 HD2 PRO A 102 12.156 10.117 6.478 1.00 0.00 H new ATOM 0 HD3 PRO A 102 13.696 9.478 7.015 1.00 0.00 H new ATOM 1527 N PRO A 103 9.872 10.933 10.731 1.00 0.00 N ATOM 1528 CA PRO A 103 8.480 11.310 10.911 1.00 0.00 C ATOM 1529 C PRO A 103 8.120 12.514 10.038 1.00 0.00 C ATOM 1530 O PRO A 103 7.463 13.446 10.499 1.00 0.00 O ATOM 1531 CB PRO A 103 8.337 11.591 12.398 1.00 0.00 C ATOM 1532 CG PRO A 103 9.749 11.813 12.917 1.00 0.00 C ATOM 1533 CD PRO A 103 10.719 11.327 11.853 1.00 0.00 C ATOM 0 HA PRO A 103 7.789 10.527 10.599 1.00 0.00 H new ATOM 0 HB2 PRO A 103 7.714 12.469 12.572 1.00 0.00 H new ATOM 0 HB3 PRO A 103 7.860 10.755 12.909 1.00 0.00 H new ATOM 0 HG2 PRO A 103 9.915 12.869 13.131 1.00 0.00 H new ATOM 0 HG3 PRO A 103 9.902 11.270 13.850 1.00 0.00 H new ATOM 0 HD2 PRO A 103 11.417 12.113 11.565 1.00 0.00 H new ATOM 0 HD3 PRO A 103 11.314 10.488 12.213 1.00 0.00 H new ATOM 1541 N ASN A 104 8.570 12.456 8.792 1.00 0.00 N ATOM 1542 CA ASN A 104 8.303 13.530 7.850 1.00 0.00 C ATOM 1543 C ASN A 104 6.796 13.628 7.608 1.00 0.00 C ATOM 1544 O ASN A 104 6.106 12.612 7.546 1.00 0.00 O ATOM 1545 CB ASN A 104 8.982 13.264 6.506 1.00 0.00 C ATOM 1546 CG ASN A 104 9.615 14.540 5.948 1.00 0.00 C ATOM 1547 OD1 ASN A 104 8.951 15.406 5.403 1.00 0.00 O ATOM 1548 ND2 ASN A 104 10.932 14.609 6.115 1.00 0.00 N ATOM 0 H ASN A 104 9.117 11.683 8.414 1.00 0.00 H new ATOM 0 HA ASN A 104 8.693 14.455 8.274 1.00 0.00 H new ATOM 0 HB2 ASN A 104 9.747 12.497 6.627 1.00 0.00 H new ATOM 0 HB3 ASN A 104 8.251 12.876 5.796 1.00 0.00 H new ATOM 0 HD21 ASN A 104 11.447 15.422 5.778 1.00 0.00 H new ATOM 0 HD22 ASN A 104 11.428 13.849 6.580 1.00 0.00 H new ATOM 1555 N ASP A 105 6.329 14.862 7.477 1.00 0.00 N ATOM 1556 CA ASP A 105 4.917 15.106 7.243 1.00 0.00 C ATOM 1557 C ASP A 105 4.473 14.352 5.987 1.00 0.00 C ATOM 1558 O ASP A 105 3.285 14.108 5.792 1.00 0.00 O ATOM 1559 CB ASP A 105 4.645 16.596 7.020 1.00 0.00 C ATOM 1560 CG ASP A 105 4.719 17.461 8.280 1.00 0.00 C ATOM 1561 OD1 ASP A 105 3.888 17.223 9.183 1.00 0.00 O ATOM 1562 OD2 ASP A 105 5.606 18.341 8.311 1.00 0.00 O ATOM 0 H ASP A 105 6.904 15.703 7.529 1.00 0.00 H new ATOM 0 HA ASP A 105 4.367 14.765 8.120 1.00 0.00 H new ATOM 0 HB2 ASP A 105 5.363 16.976 6.293 1.00 0.00 H new ATOM 0 HB3 ASP A 105 3.655 16.707 6.578 1.00 0.00 H new ATOM 1567 N ASP A 106 5.456 14.005 5.167 1.00 0.00 N ATOM 1568 CA ASP A 106 5.183 13.285 3.935 1.00 0.00 C ATOM 1569 C ASP A 106 5.037 11.793 4.243 1.00 0.00 C ATOM 1570 O ASP A 106 5.390 10.949 3.424 1.00 0.00 O ATOM 1571 CB ASP A 106 6.329 13.450 2.935 1.00 0.00 C ATOM 1572 CG ASP A 106 5.902 13.861 1.525 1.00 0.00 C ATOM 1573 OD1 ASP A 106 4.704 13.681 1.219 1.00 0.00 O ATOM 1574 OD2 ASP A 106 6.783 14.347 0.784 1.00 0.00 O ATOM 0 H ASP A 106 6.442 14.209 5.332 1.00 0.00 H new ATOM 0 HA ASP A 106 4.267 13.689 3.504 1.00 0.00 H new ATOM 0 HB2 ASP A 106 7.023 14.197 3.320 1.00 0.00 H new ATOM 0 HB3 ASP A 106 6.876 12.509 2.873 1.00 0.00 H new ATOM 1579 N LYS A 107 4.514 11.516 5.428 1.00 0.00 N ATOM 1580 CA LYS A 107 4.317 10.141 5.857 1.00 0.00 C ATOM 1581 C LYS A 107 3.811 9.311 4.674 1.00 0.00 C ATOM 1582 O LYS A 107 4.055 8.108 4.606 1.00 0.00 O ATOM 1583 CB LYS A 107 3.401 10.088 7.082 1.00 0.00 C ATOM 1584 CG LYS A 107 2.023 10.667 6.762 1.00 0.00 C ATOM 1585 CD LYS A 107 1.077 10.527 7.957 1.00 0.00 C ATOM 1586 CE LYS A 107 -0.346 10.205 7.497 1.00 0.00 C ATOM 1587 NZ LYS A 107 -1.336 10.760 8.446 1.00 0.00 N ATOM 0 H LYS A 107 4.220 12.220 6.105 1.00 0.00 H new ATOM 0 HA LYS A 107 5.262 9.701 6.175 1.00 0.00 H new ATOM 0 HB2 LYS A 107 3.297 9.056 7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 107 3.852 10.646 7.902 1.00 0.00 H new ATOM 0 HG2 LYS A 107 2.120 11.719 6.492 1.00 0.00 H new ATOM 0 HG3 LYS A 107 1.601 10.154 5.898 1.00 0.00 H new ATOM 0 HD2 LYS A 107 1.436 9.739 8.619 1.00 0.00 H new ATOM 0 HD3 LYS A 107 1.076 11.452 8.534 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.515 10.618 6.503 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.474 9.125 7.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.296 10.532 8.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.184 10.346 9.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -1.224 11.793 8.500 1.00 0.00 H new ATOM 1601 N CYS A 108 3.116 9.989 3.773 1.00 0.00 N ATOM 1602 CA CYS A 108 2.574 9.329 2.596 1.00 0.00 C ATOM 1603 C CYS A 108 3.740 8.767 1.781 1.00 0.00 C ATOM 1604 O CYS A 108 3.750 7.585 1.439 1.00 0.00 O ATOM 1605 CB CYS A 108 1.702 10.276 1.768 1.00 0.00 C ATOM 1606 SG CYS A 108 0.758 9.472 0.423 1.00 0.00 S ATOM 0 H CYS A 108 2.915 10.987 3.833 1.00 0.00 H new ATOM 0 HA CYS A 108 1.920 8.513 2.902 1.00 0.00 H new ATOM 0 HB2 CYS A 108 1.001 10.778 2.435 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.338 11.048 1.335 1.00 0.00 H new ATOM 1611 N MET A 109 4.695 9.640 1.493 1.00 0.00 N ATOM 1612 CA MET A 109 5.862 9.245 0.724 1.00 0.00 C ATOM 1613 C MET A 109 6.989 8.771 1.644 1.00 0.00 C ATOM 1614 O MET A 109 7.958 8.169 1.184 1.00 0.00 O ATOM 1615 CB MET A 109 6.348 10.431 -0.112 1.00 0.00 C ATOM 1616 CG MET A 109 7.395 9.987 -1.136 1.00 0.00 C ATOM 1617 SD MET A 109 8.674 11.225 -1.277 1.00 0.00 S ATOM 1618 CE MET A 109 10.115 10.218 -0.964 1.00 0.00 C ATOM 0 H MET A 109 4.684 10.619 1.779 1.00 0.00 H new ATOM 0 HA MET A 109 5.581 8.420 0.070 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.503 10.889 -0.626 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.774 11.192 0.542 1.00 0.00 H new ATOM 0 HG2 MET A 109 7.831 9.035 -0.833 1.00 0.00 H new ATOM 0 HG3 MET A 109 6.923 9.828 -2.105 1.00 0.00 H new ATOM 0 HE1 MET A 109 11.010 10.838 -1.014 1.00 0.00 H new ATOM 0 HE2 MET A 109 10.038 9.771 0.027 1.00 0.00 H new ATOM 0 HE3 MET A 109 10.177 9.429 -1.714 1.00 0.00 H new ATOM 1628 N LYS A 110 6.825 9.061 2.926 1.00 0.00 N ATOM 1629 CA LYS A 110 7.817 8.672 3.914 1.00 0.00 C ATOM 1630 C LYS A 110 7.484 7.276 4.443 1.00 0.00 C ATOM 1631 O LYS A 110 8.197 6.314 4.158 1.00 0.00 O ATOM 1632 CB LYS A 110 7.926 9.735 5.010 1.00 0.00 C ATOM 1633 CG LYS A 110 8.640 9.179 6.244 1.00 0.00 C ATOM 1634 CD LYS A 110 7.649 8.926 7.383 1.00 0.00 C ATOM 1635 CE LYS A 110 8.157 7.830 8.320 1.00 0.00 C ATOM 1636 NZ LYS A 110 7.813 8.145 9.723 1.00 0.00 N ATOM 0 H LYS A 110 6.020 9.561 3.304 1.00 0.00 H new ATOM 0 HA LYS A 110 8.806 8.613 3.459 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.470 10.600 4.630 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.930 10.081 5.287 1.00 0.00 H new ATOM 0 HG2 LYS A 110 9.149 8.250 5.987 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.406 9.881 6.573 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.494 9.847 7.945 1.00 0.00 H new ATOM 0 HD3 LYS A 110 6.682 8.637 6.971 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.720 6.872 8.039 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.238 7.729 8.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.470 7.286 10.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.657 8.500 10.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.069 8.872 9.743 1.00 0.00 H new ATOM 1650 N THR A 111 6.401 7.208 5.203 1.00 0.00 N ATOM 1651 CA THR A 111 5.966 5.945 5.773 1.00 0.00 C ATOM 1652 C THR A 111 6.073 4.826 4.736 1.00 0.00 C ATOM 1653 O THR A 111 6.560 3.738 5.040 1.00 0.00 O ATOM 1654 CB THR A 111 4.549 6.135 6.316 1.00 0.00 C ATOM 1655 OG1 THR A 111 4.612 7.365 7.033 1.00 0.00 O ATOM 1656 CG2 THR A 111 4.185 5.100 7.383 1.00 0.00 C ATOM 0 H THR A 111 5.812 8.007 5.437 1.00 0.00 H new ATOM 0 HA THR A 111 6.609 5.642 6.599 1.00 0.00 H new ATOM 0 HB THR A 111 3.836 6.074 5.494 1.00 0.00 H new ATOM 0 HG1 THR A 111 4.229 7.243 7.927 1.00 0.00 H new ATOM 0 HG21 THR A 111 3.169 5.281 7.734 1.00 0.00 H new ATOM 0 HG22 THR A 111 4.248 4.099 6.956 1.00 0.00 H new ATOM 0 HG23 THR A 111 4.878 5.182 8.220 1.00 0.00 H new ATOM 1664 N ILE A 112 5.612 5.131 3.533 1.00 0.00 N ATOM 1665 CA ILE A 112 5.650 4.164 2.448 1.00 0.00 C ATOM 1666 C ILE A 112 7.044 3.538 2.378 1.00 0.00 C ATOM 1667 O ILE A 112 7.177 2.318 2.299 1.00 0.00 O ATOM 1668 CB ILE A 112 5.200 4.811 1.137 1.00 0.00 C ATOM 1669 CG1 ILE A 112 4.848 3.748 0.093 1.00 0.00 C ATOM 1670 CG2 ILE A 112 6.252 5.796 0.621 1.00 0.00 C ATOM 1671 CD1 ILE A 112 6.110 3.070 -0.443 1.00 0.00 C ATOM 0 H ILE A 112 5.210 6.035 3.284 1.00 0.00 H new ATOM 0 HA ILE A 112 4.945 3.354 2.635 1.00 0.00 H new ATOM 0 HB ILE A 112 4.293 5.383 1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 112 4.190 3.001 0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.300 4.208 -0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 112 5.907 6.241 -0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 112 6.410 6.580 1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.190 5.268 0.446 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.833 2.319 -1.183 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.755 3.816 -0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.642 2.591 0.379 1.00 0.00 H new ATOM 1683 N ASP A 113 8.048 4.402 2.410 1.00 0.00 N ATOM 1684 CA ASP A 113 9.428 3.950 2.351 1.00 0.00 C ATOM 1685 C ASP A 113 9.584 2.693 3.210 1.00 0.00 C ATOM 1686 O ASP A 113 10.152 1.698 2.763 1.00 0.00 O ATOM 1687 CB ASP A 113 10.381 5.016 2.895 1.00 0.00 C ATOM 1688 CG ASP A 113 11.760 5.046 2.234 1.00 0.00 C ATOM 1689 OD1 ASP A 113 11.795 5.228 0.998 1.00 0.00 O ATOM 1690 OD2 ASP A 113 12.751 4.887 2.981 1.00 0.00 O ATOM 0 H ASP A 113 7.933 5.413 2.476 1.00 0.00 H new ATOM 0 HA ASP A 113 9.673 3.747 1.308 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.915 5.994 2.775 1.00 0.00 H new ATOM 0 HB3 ASP A 113 10.511 4.854 3.965 1.00 0.00 H new ATOM 1695 N VAL A 114 9.073 2.781 4.429 1.00 0.00 N ATOM 1696 CA VAL A 114 9.148 1.664 5.354 1.00 0.00 C ATOM 1697 C VAL A 114 7.981 0.711 5.094 1.00 0.00 C ATOM 1698 O VAL A 114 8.178 -0.496 4.962 1.00 0.00 O ATOM 1699 CB VAL A 114 9.189 2.180 6.795 1.00 0.00 C ATOM 1700 CG1 VAL A 114 10.194 1.387 7.633 1.00 0.00 C ATOM 1701 CG2 VAL A 114 9.502 3.676 6.833 1.00 0.00 C ATOM 0 H VAL A 114 8.605 3.609 4.797 1.00 0.00 H new ATOM 0 HA VAL A 114 10.068 1.100 5.197 1.00 0.00 H new ATOM 0 HB VAL A 114 8.201 2.034 7.231 1.00 0.00 H new ATOM 0 HG11 VAL A 114 10.203 1.774 8.652 1.00 0.00 H new ATOM 0 HG12 VAL A 114 9.907 0.336 7.647 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.189 1.486 7.198 1.00 0.00 H new ATOM 0 HG21 VAL A 114 9.525 4.017 7.868 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.472 3.857 6.370 1.00 0.00 H new ATOM 0 HG23 VAL A 114 8.732 4.223 6.288 1.00 0.00 H new ATOM 1711 N ALA A 115 6.791 1.288 5.026 1.00 0.00 N ATOM 1712 CA ALA A 115 5.590 0.504 4.784 1.00 0.00 C ATOM 1713 C ALA A 115 5.856 -0.490 3.651 1.00 0.00 C ATOM 1714 O ALA A 115 5.214 -1.534 3.574 1.00 0.00 O ATOM 1715 CB ALA A 115 4.422 1.443 4.475 1.00 0.00 C ATOM 0 H ALA A 115 6.631 2.290 5.134 1.00 0.00 H new ATOM 0 HA ALA A 115 5.320 -0.071 5.670 1.00 0.00 H new ATOM 0 HB1 ALA A 115 3.522 0.856 4.293 1.00 0.00 H new ATOM 0 HB2 ALA A 115 4.257 2.109 5.322 1.00 0.00 H new ATOM 0 HB3 ALA A 115 4.655 2.034 3.589 1.00 0.00 H new ATOM 1721 N MET A 116 6.805 -0.127 2.799 1.00 0.00 N ATOM 1722 CA MET A 116 7.163 -0.972 1.674 1.00 0.00 C ATOM 1723 C MET A 116 8.497 -1.678 1.922 1.00 0.00 C ATOM 1724 O MET A 116 8.699 -2.807 1.476 1.00 0.00 O ATOM 1725 CB MET A 116 7.264 -0.121 0.407 1.00 0.00 C ATOM 1726 CG MET A 116 8.502 0.776 0.445 1.00 0.00 C ATOM 1727 SD MET A 116 9.906 -0.092 -0.235 1.00 0.00 S ATOM 1728 CE MET A 116 10.736 1.258 -1.056 1.00 0.00 C ATOM 0 H MET A 116 7.336 0.741 2.866 1.00 0.00 H new ATOM 0 HA MET A 116 6.389 -1.730 1.552 1.00 0.00 H new ATOM 0 HB2 MET A 116 7.307 -0.769 -0.468 1.00 0.00 H new ATOM 0 HB3 MET A 116 6.369 0.493 0.305 1.00 0.00 H new ATOM 0 HG2 MET A 116 8.318 1.688 -0.123 1.00 0.00 H new ATOM 0 HG3 MET A 116 8.712 1.077 1.471 1.00 0.00 H new ATOM 0 HE1 MET A 116 11.814 1.098 -1.020 1.00 0.00 H new ATOM 0 HE2 MET A 116 10.411 1.307 -2.095 1.00 0.00 H new ATOM 0 HE3 MET A 116 10.491 2.194 -0.554 1.00 0.00 H new ATOM 1738 N CYS A 117 9.374 -0.984 2.633 1.00 0.00 N ATOM 1739 CA CYS A 117 10.684 -1.531 2.946 1.00 0.00 C ATOM 1740 C CYS A 117 10.519 -3.017 3.271 1.00 0.00 C ATOM 1741 O CYS A 117 11.168 -3.866 2.660 1.00 0.00 O ATOM 1742 CB CYS A 117 11.357 -0.768 4.089 1.00 0.00 C ATOM 1743 SG CYS A 117 13.133 -1.144 4.320 1.00 0.00 S ATOM 0 H CYS A 117 9.203 -0.048 3.001 1.00 0.00 H new ATOM 0 HA CYS A 117 11.343 -1.420 2.085 1.00 0.00 H new ATOM 0 HB2 CYS A 117 11.247 0.301 3.908 1.00 0.00 H new ATOM 0 HB3 CYS A 117 10.829 -0.991 5.016 1.00 0.00 H new ATOM 1748 N PHE A 118 9.649 -3.286 4.232 1.00 0.00 N ATOM 1749 CA PHE A 118 9.390 -4.655 4.647 1.00 0.00 C ATOM 1750 C PHE A 118 8.730 -5.454 3.519 1.00 0.00 C ATOM 1751 O PHE A 118 9.083 -6.608 3.284 1.00 0.00 O ATOM 1752 CB PHE A 118 8.433 -4.589 5.838 1.00 0.00 C ATOM 1753 CG PHE A 118 7.755 -5.922 6.166 1.00 0.00 C ATOM 1754 CD1 PHE A 118 8.380 -7.093 5.869 1.00 0.00 C ATOM 1755 CD2 PHE A 118 6.528 -5.934 6.754 1.00 0.00 C ATOM 1756 CE1 PHE A 118 7.750 -8.329 6.174 1.00 0.00 C ATOM 1757 CE2 PHE A 118 5.900 -7.171 7.058 1.00 0.00 C ATOM 1758 CZ PHE A 118 6.524 -8.342 6.762 1.00 0.00 C ATOM 0 H PHE A 118 9.114 -2.579 4.736 1.00 0.00 H new ATOM 0 HA PHE A 118 10.327 -5.149 4.906 1.00 0.00 H new ATOM 0 HB2 PHE A 118 8.983 -4.247 6.715 1.00 0.00 H new ATOM 0 HB3 PHE A 118 7.665 -3.843 5.633 1.00 0.00 H new ATOM 0 HD1 PHE A 118 9.354 -7.083 5.402 1.00 0.00 H new ATOM 0 HD2 PHE A 118 6.032 -5.004 6.989 1.00 0.00 H new ATOM 0 HE1 PHE A 118 8.245 -9.259 5.939 1.00 0.00 H new ATOM 0 HE2 PHE A 118 4.926 -7.181 7.525 1.00 0.00 H new ATOM 0 HZ PHE A 118 6.046 -9.282 6.994 1.00 0.00 H new ATOM 1768 N LYS A 119 7.784 -4.807 2.856 1.00 0.00 N ATOM 1769 CA LYS A 119 7.071 -5.441 1.760 1.00 0.00 C ATOM 1770 C LYS A 119 8.071 -5.850 0.677 1.00 0.00 C ATOM 1771 O LYS A 119 7.852 -6.827 -0.038 1.00 0.00 O ATOM 1772 CB LYS A 119 5.951 -4.532 1.251 1.00 0.00 C ATOM 1773 CG LYS A 119 4.921 -4.263 2.351 1.00 0.00 C ATOM 1774 CD LYS A 119 3.752 -3.435 1.815 1.00 0.00 C ATOM 1775 CE LYS A 119 2.438 -3.845 2.483 1.00 0.00 C ATOM 1776 NZ LYS A 119 2.107 -2.922 3.590 1.00 0.00 N ATOM 0 H LYS A 119 7.494 -3.850 3.056 1.00 0.00 H new ATOM 0 HA LYS A 119 6.579 -6.352 2.102 1.00 0.00 H new ATOM 0 HB2 LYS A 119 6.373 -3.589 0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 119 5.461 -4.996 0.395 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.551 -5.209 2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 119 5.396 -3.736 3.178 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.940 -2.376 1.993 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.672 -3.567 0.736 1.00 0.00 H new ATOM 0 HE2 LYS A 119 1.634 -3.843 1.747 1.00 0.00 H new ATOM 0 HE3 LYS A 119 2.519 -4.863 2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 1.212 -3.216 4.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 2.867 -2.944 4.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 2.009 -1.956 3.219 1.00 0.00 H new ATOM 1790 N LYS A 120 9.148 -5.083 0.589 1.00 0.00 N ATOM 1791 CA LYS A 120 10.181 -5.353 -0.396 1.00 0.00 C ATOM 1792 C LYS A 120 10.767 -6.745 -0.146 1.00 0.00 C ATOM 1793 O LYS A 120 11.233 -7.403 -1.074 1.00 0.00 O ATOM 1794 CB LYS A 120 11.228 -4.238 -0.394 1.00 0.00 C ATOM 1795 CG LYS A 120 11.138 -3.401 -1.673 1.00 0.00 C ATOM 1796 CD LYS A 120 12.365 -2.501 -1.825 1.00 0.00 C ATOM 1797 CE LYS A 120 12.494 -1.987 -3.260 1.00 0.00 C ATOM 1798 NZ LYS A 120 12.018 -0.590 -3.357 1.00 0.00 N ATOM 0 H LYS A 120 9.327 -4.274 1.184 1.00 0.00 H new ATOM 0 HA LYS A 120 9.757 -5.360 -1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 120 11.081 -3.597 0.476 1.00 0.00 H new ATOM 0 HB3 LYS A 120 12.225 -4.670 -0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 120 11.056 -4.059 -2.538 1.00 0.00 H new ATOM 0 HG3 LYS A 120 10.235 -2.791 -1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 120 12.289 -1.658 -1.138 1.00 0.00 H new ATOM 0 HD3 LYS A 120 13.263 -3.055 -1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 120 13.534 -2.046 -3.581 1.00 0.00 H new ATOM 0 HE3 LYS A 120 11.917 -2.621 -3.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 12.097 -0.264 -4.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 11.024 -0.540 -3.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 12.597 0.018 -2.743 1.00 0.00 H new ATOM 1812 N GLU A 121 10.722 -7.153 1.114 1.00 0.00 N ATOM 1813 CA GLU A 121 11.242 -8.454 1.499 1.00 0.00 C ATOM 1814 C GLU A 121 10.505 -9.564 0.746 1.00 0.00 C ATOM 1815 O GLU A 121 11.070 -10.627 0.490 1.00 0.00 O ATOM 1816 CB GLU A 121 11.141 -8.660 3.012 1.00 0.00 C ATOM 1817 CG GLU A 121 11.833 -7.523 3.766 1.00 0.00 C ATOM 1818 CD GLU A 121 13.356 -7.667 3.699 1.00 0.00 C ATOM 1819 OE1 GLU A 121 13.902 -8.335 4.602 1.00 0.00 O ATOM 1820 OE2 GLU A 121 13.937 -7.106 2.745 1.00 0.00 O ATOM 0 H GLU A 121 10.333 -6.605 1.882 1.00 0.00 H new ATOM 0 HA GLU A 121 12.297 -8.495 1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 121 10.093 -8.712 3.307 1.00 0.00 H new ATOM 0 HB3 GLU A 121 11.596 -9.612 3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 121 11.536 -6.565 3.339 1.00 0.00 H new ATOM 0 HG3 GLU A 121 11.510 -7.522 4.807 1.00 0.00 H new ATOM 1827 N ILE A 122 9.256 -9.278 0.410 1.00 0.00 N ATOM 1828 CA ILE A 122 8.436 -10.239 -0.309 1.00 0.00 C ATOM 1829 C ILE A 122 8.758 -10.159 -1.803 1.00 0.00 C ATOM 1830 O ILE A 122 8.869 -11.185 -2.474 1.00 0.00 O ATOM 1831 CB ILE A 122 6.956 -10.028 0.013 1.00 0.00 C ATOM 1832 CG1 ILE A 122 6.692 -10.191 1.512 1.00 0.00 C ATOM 1833 CG2 ILE A 122 6.075 -10.955 -0.826 1.00 0.00 C ATOM 1834 CD1 ILE A 122 7.332 -9.051 2.306 1.00 0.00 C ATOM 0 H ILE A 122 8.792 -8.395 0.622 1.00 0.00 H new ATOM 0 HA ILE A 122 8.666 -11.254 0.014 1.00 0.00 H new ATOM 0 HB ILE A 122 6.692 -9.004 -0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 122 5.618 -10.210 1.696 1.00 0.00 H new ATOM 0 HG13 ILE A 122 7.091 -11.146 1.854 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.027 -10.785 -0.578 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.235 -10.749 -1.884 1.00 0.00 H new ATOM 0 HG23 ILE A 122 6.334 -11.993 -0.615 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.130 -9.189 3.368 1.00 0.00 H new ATOM 0 HD12 ILE A 122 8.409 -9.051 2.138 1.00 0.00 H new ATOM 0 HD13 ILE A 122 6.913 -8.099 1.978 1.00 0.00 H new ATOM 1846 N HIS A 123 8.898 -8.931 -2.281 1.00 0.00 N ATOM 1847 CA HIS A 123 9.205 -8.704 -3.683 1.00 0.00 C ATOM 1848 C HIS A 123 10.365 -9.607 -4.107 1.00 0.00 C ATOM 1849 O HIS A 123 10.545 -9.875 -5.294 1.00 0.00 O ATOM 1850 CB HIS A 123 9.480 -7.222 -3.946 1.00 0.00 C ATOM 1851 CG HIS A 123 10.931 -6.907 -4.225 1.00 0.00 C ATOM 1852 ND1 HIS A 123 11.767 -6.332 -3.285 1.00 0.00 N ATOM 1853 CD2 HIS A 123 11.683 -7.095 -5.347 1.00 0.00 C ATOM 1854 CE1 HIS A 123 12.966 -6.183 -3.828 1.00 0.00 C ATOM 1855 NE2 HIS A 123 12.912 -6.656 -5.107 1.00 0.00 N ATOM 0 H HIS A 123 8.804 -8.083 -1.722 1.00 0.00 H new ATOM 0 HA HIS A 123 8.343 -8.968 -4.295 1.00 0.00 H new ATOM 0 HB2 HIS A 123 8.878 -6.896 -4.795 1.00 0.00 H new ATOM 0 HB3 HIS A 123 9.153 -6.643 -3.082 1.00 0.00 H new ATOM 0 HD1 HIS A 123 11.505 -6.068 -2.335 1.00 0.00 H new ATOM 0 HD2 HIS A 123 11.337 -7.528 -6.274 1.00 0.00 H new ATOM 0 HE1 HIS A 123 13.834 -5.761 -3.343 1.00 0.00 H new ATOM 1864 N LYS A 124 11.121 -10.052 -3.115 1.00 0.00 N ATOM 1865 CA LYS A 124 12.258 -10.918 -3.371 1.00 0.00 C ATOM 1866 C LYS A 124 11.855 -12.372 -3.113 1.00 0.00 C ATOM 1867 O LYS A 124 12.700 -13.207 -2.800 1.00 0.00 O ATOM 1868 CB LYS A 124 13.473 -10.464 -2.557 1.00 0.00 C ATOM 1869 CG LYS A 124 13.201 -10.582 -1.056 1.00 0.00 C ATOM 1870 CD LYS A 124 14.507 -10.711 -0.270 1.00 0.00 C ATOM 1871 CE LYS A 124 14.747 -9.476 0.602 1.00 0.00 C ATOM 1872 NZ LYS A 124 16.148 -9.014 0.473 1.00 0.00 N ATOM 0 H LYS A 124 10.968 -9.829 -2.132 1.00 0.00 H new ATOM 0 HA LYS A 124 12.560 -10.850 -4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 124 14.340 -11.069 -2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 124 13.717 -9.431 -2.806 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.651 -9.706 -0.713 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.570 -11.450 -0.864 1.00 0.00 H new ATOM 0 HD2 LYS A 124 14.472 -11.602 0.357 1.00 0.00 H new ATOM 0 HD3 LYS A 124 15.340 -10.840 -0.961 1.00 0.00 H new ATOM 0 HE2 LYS A 124 14.066 -8.678 0.307 1.00 0.00 H new ATOM 0 HE3 LYS A 124 14.530 -9.712 1.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 16.294 -8.176 1.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 16.793 -9.772 0.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 16.343 -8.770 -0.519 1.00 0.00 H new ATOM 1886 N LEU A 125 10.562 -12.627 -3.255 1.00 0.00 N ATOM 1887 CA LEU A 125 10.036 -13.964 -3.043 1.00 0.00 C ATOM 1888 C LEU A 125 10.984 -14.987 -3.673 1.00 0.00 C ATOM 1889 O LEU A 125 11.966 -15.392 -3.054 1.00 0.00 O ATOM 1890 CB LEU A 125 8.597 -14.062 -3.555 1.00 0.00 C ATOM 1891 CG LEU A 125 8.193 -13.039 -4.618 1.00 0.00 C ATOM 1892 CD1 LEU A 125 9.314 -12.839 -5.640 1.00 0.00 C ATOM 1893 CD2 LEU A 125 6.874 -13.433 -5.285 1.00 0.00 C ATOM 0 H LEU A 125 9.864 -11.930 -3.514 1.00 0.00 H new ATOM 0 HA LEU A 125 9.987 -14.189 -1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 125 8.445 -15.061 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 125 7.922 -13.959 -2.705 1.00 0.00 H new ATOM 0 HG LEU A 125 8.031 -12.080 -4.125 1.00 0.00 H new ATOM 0 HD11 LEU A 125 9.001 -12.107 -6.385 1.00 0.00 H new ATOM 0 HD12 LEU A 125 10.209 -12.480 -5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 125 9.531 -13.787 -6.132 1.00 0.00 H new ATOM 0 HD21 LEU A 125 6.610 -12.689 -6.036 1.00 0.00 H new ATOM 0 HD22 LEU A 125 6.984 -14.407 -5.762 1.00 0.00 H new ATOM 0 HD23 LEU A 125 6.087 -13.484 -4.533 1.00 0.00 H new ATOM 1905 N ASN A 126 10.654 -15.375 -4.897 1.00 0.00 N ATOM 1906 CA ASN A 126 11.465 -16.343 -5.618 1.00 0.00 C ATOM 1907 C ASN A 126 12.285 -15.619 -6.688 1.00 0.00 C ATOM 1908 O ASN A 126 13.091 -16.237 -7.380 1.00 0.00 O ATOM 1909 CB ASN A 126 10.587 -17.382 -6.318 1.00 0.00 C ATOM 1910 CG ASN A 126 9.575 -17.992 -5.344 1.00 0.00 C ATOM 1911 OD1 ASN A 126 8.531 -17.209 -5.090 1.00 0.00 O flip ATOM 1912 ND2 ASN A 126 9.735 -19.099 -4.857 1.00 0.00 N flip ATOM 0 H ASN A 126 9.838 -15.037 -5.407 1.00 0.00 H new ATOM 0 HA ASN A 126 12.113 -16.843 -4.899 1.00 0.00 H new ATOM 0 HB2 ASN A 126 10.060 -16.916 -7.151 1.00 0.00 H new ATOM 0 HB3 ASN A 126 11.213 -18.169 -6.737 1.00 0.00 H new ATOM 0 HD21 ASN A 126 10.561 -19.647 -5.096 1.00 0.00 H new ATOM 0 HD22 ASN A 126 9.042 -19.477 -4.210 1.00 0.00 H new ATOM 1919 N TRP A 127 12.050 -14.318 -6.789 1.00 0.00 N ATOM 1920 CA TRP A 127 12.756 -13.503 -7.762 1.00 0.00 C ATOM 1921 C TRP A 127 14.026 -12.968 -7.098 1.00 0.00 C ATOM 1922 O TRP A 127 14.081 -12.832 -5.876 1.00 0.00 O ATOM 1923 CB TRP A 127 11.854 -12.396 -8.310 1.00 0.00 C ATOM 1924 CG TRP A 127 10.384 -12.800 -8.444 1.00 0.00 C ATOM 1925 CD1 TRP A 127 9.882 -14.020 -8.678 1.00 0.00 C ATOM 1926 CD2 TRP A 127 9.240 -11.927 -8.341 1.00 0.00 C ATOM 1927 NE1 TRP A 127 8.504 -13.997 -8.734 1.00 0.00 N ATOM 1928 CE2 TRP A 127 8.100 -12.685 -8.521 1.00 0.00 C ATOM 1929 CE3 TRP A 127 9.169 -10.543 -8.102 1.00 0.00 C ATOM 1930 CZ2 TRP A 127 6.808 -12.146 -8.483 1.00 0.00 C ATOM 1931 CZ3 TRP A 127 7.871 -10.021 -8.067 1.00 0.00 C ATOM 1932 CH2 TRP A 127 6.713 -10.770 -8.247 1.00 0.00 C ATOM 0 H TRP A 127 11.380 -13.809 -6.212 1.00 0.00 H new ATOM 0 HA TRP A 127 13.042 -14.099 -8.629 1.00 0.00 H new ATOM 0 HB2 TRP A 127 11.923 -11.528 -7.655 1.00 0.00 H new ATOM 0 HB3 TRP A 127 12.226 -12.089 -9.287 1.00 0.00 H new ATOM 0 HD1 TRP A 127 10.481 -14.909 -8.807 1.00 0.00 H new ATOM 0 HE1 TRP A 127 7.893 -14.797 -8.901 1.00 0.00 H new ATOM 0 HE3 TRP A 127 10.047 -9.931 -7.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 5.931 -12.760 -8.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 7.761 -8.962 -7.888 1.00 0.00 H new ATOM 0 HH2 TRP A 127 5.745 -10.292 -8.205 1.00 0.00 H new ATOM 1943 N VAL A 128 15.013 -12.675 -7.931 1.00 0.00 N ATOM 1944 CA VAL A 128 16.278 -12.156 -7.439 1.00 0.00 C ATOM 1945 C VAL A 128 16.237 -10.626 -7.453 1.00 0.00 C ATOM 1946 O VAL A 128 16.039 -10.017 -8.502 1.00 0.00 O ATOM 1947 CB VAL A 128 17.434 -12.730 -8.261 1.00 0.00 C ATOM 1948 CG1 VAL A 128 17.693 -14.192 -7.893 1.00 0.00 C ATOM 1949 CG2 VAL A 128 17.170 -12.579 -9.760 1.00 0.00 C ATOM 0 H VAL A 128 14.963 -12.787 -8.944 1.00 0.00 H new ATOM 0 HA VAL A 128 16.443 -12.468 -6.408 1.00 0.00 H new ATOM 0 HB VAL A 128 18.332 -12.160 -8.022 1.00 0.00 H new ATOM 0 HG11 VAL A 128 18.519 -14.577 -8.491 1.00 0.00 H new ATOM 0 HG12 VAL A 128 17.947 -14.261 -6.835 1.00 0.00 H new ATOM 0 HG13 VAL A 128 16.797 -14.781 -8.090 1.00 0.00 H new ATOM 0 HG21 VAL A 128 18.007 -12.995 -10.321 1.00 0.00 H new ATOM 0 HG22 VAL A 128 16.256 -13.111 -10.024 1.00 0.00 H new ATOM 0 HG23 VAL A 128 17.058 -11.523 -10.005 1.00 0.00 H new ATOM 1959 N PRO A 129 16.432 -10.036 -6.243 1.00 0.00 N ATOM 1960 CA PRO A 129 16.418 -8.589 -6.108 1.00 0.00 C ATOM 1961 C PRO A 129 17.709 -7.975 -6.656 1.00 0.00 C ATOM 1962 O PRO A 129 18.369 -7.196 -5.969 1.00 0.00 O ATOM 1963 CB PRO A 129 16.224 -8.335 -4.622 1.00 0.00 C ATOM 1964 CG PRO A 129 16.601 -9.633 -3.924 1.00 0.00 C ATOM 1965 CD PRO A 129 16.669 -10.726 -4.979 1.00 0.00 C ATOM 0 HA PRO A 129 15.622 -8.120 -6.686 1.00 0.00 H new ATOM 0 HB2 PRO A 129 16.852 -7.512 -4.281 1.00 0.00 H new ATOM 0 HB3 PRO A 129 15.192 -8.060 -4.404 1.00 0.00 H new ATOM 0 HG2 PRO A 129 17.561 -9.530 -3.419 1.00 0.00 H new ATOM 0 HG3 PRO A 129 15.864 -9.884 -3.161 1.00 0.00 H new ATOM 0 HD2 PRO A 129 17.640 -11.221 -4.974 1.00 0.00 H new ATOM 0 HD3 PRO A 129 15.918 -11.496 -4.801 1.00 0.00 H new ATOM 1973 N ASN A 130 18.029 -8.349 -7.885 1.00 0.00 N ATOM 1974 CA ASN A 130 19.229 -7.844 -8.532 1.00 0.00 C ATOM 1975 C ASN A 130 19.415 -6.368 -8.175 1.00 0.00 C ATOM 1976 O ASN A 130 20.541 -5.885 -8.083 1.00 0.00 O ATOM 1977 CB ASN A 130 19.119 -7.952 -10.055 1.00 0.00 C ATOM 1978 CG ASN A 130 20.501 -7.894 -10.708 1.00 0.00 C ATOM 1979 OD1 ASN A 130 21.275 -6.973 -10.504 1.00 0.00 O ATOM 1980 ND2 ASN A 130 20.768 -8.925 -11.504 1.00 0.00 N ATOM 0 H ASN A 130 17.479 -8.996 -8.451 1.00 0.00 H new ATOM 0 HA ASN A 130 20.074 -8.440 -8.187 1.00 0.00 H new ATOM 0 HB2 ASN A 130 18.625 -8.886 -10.323 1.00 0.00 H new ATOM 0 HB3 ASN A 130 18.498 -7.142 -10.437 1.00 0.00 H new ATOM 0 HD21 ASN A 130 21.665 -8.978 -11.987 1.00 0.00 H new ATOM 0 HD22 ASN A 130 20.076 -9.663 -11.632 1.00 0.00 H new ATOM 1987 N MET A 131 18.290 -5.694 -7.982 1.00 0.00 N ATOM 1988 CA MET A 131 18.313 -4.283 -7.637 1.00 0.00 C ATOM 1989 C MET A 131 18.156 -4.085 -6.128 1.00 0.00 C ATOM 1990 O MET A 131 17.044 -4.140 -5.604 1.00 0.00 O ATOM 1991 CB MET A 131 17.181 -3.558 -8.368 1.00 0.00 C ATOM 1992 CG MET A 131 17.732 -2.658 -9.476 1.00 0.00 C ATOM 1993 SD MET A 131 16.569 -2.574 -10.827 1.00 0.00 S ATOM 1994 CE MET A 131 17.319 -3.735 -11.957 1.00 0.00 C ATOM 0 H MET A 131 17.357 -6.099 -8.058 1.00 0.00 H new ATOM 0 HA MET A 131 19.275 -3.870 -7.941 1.00 0.00 H new ATOM 0 HB2 MET A 131 16.493 -4.288 -8.796 1.00 0.00 H new ATOM 0 HB3 MET A 131 16.610 -2.959 -7.658 1.00 0.00 H new ATOM 0 HG2 MET A 131 17.920 -1.658 -9.084 1.00 0.00 H new ATOM 0 HG3 MET A 131 18.687 -3.046 -9.831 1.00 0.00 H new ATOM 0 HE1 MET A 131 16.715 -3.804 -12.862 1.00 0.00 H new ATOM 0 HE2 MET A 131 18.322 -3.395 -12.215 1.00 0.00 H new ATOM 0 HE3 MET A 131 17.378 -4.716 -11.485 1.00 0.00 H new ATOM 2004 N ASP A 132 19.284 -3.857 -5.471 1.00 0.00 N ATOM 2005 CA ASP A 132 19.285 -3.651 -4.034 1.00 0.00 C ATOM 2006 C ASP A 132 20.035 -2.358 -3.709 1.00 0.00 C ATOM 2007 O ASP A 132 21.262 -2.355 -3.616 1.00 0.00 O ATOM 2008 CB ASP A 132 19.990 -4.801 -3.312 1.00 0.00 C ATOM 2009 CG ASP A 132 19.118 -6.029 -3.046 1.00 0.00 C ATOM 2010 OD1 ASP A 132 18.124 -5.869 -2.306 1.00 0.00 O ATOM 2011 OD2 ASP A 132 19.465 -7.100 -3.589 1.00 0.00 O ATOM 0 H ASP A 132 20.204 -3.811 -5.909 1.00 0.00 H new ATOM 0 HA ASP A 132 18.249 -3.598 -3.701 1.00 0.00 H new ATOM 0 HB2 ASP A 132 20.852 -5.108 -3.904 1.00 0.00 H new ATOM 0 HB3 ASP A 132 20.372 -4.432 -2.360 1.00 0.00 H new ATOM 2016 N LEU A 133 19.268 -1.290 -3.545 1.00 0.00 N ATOM 2017 CA LEU A 133 19.845 0.005 -3.232 1.00 0.00 C ATOM 2018 C LEU A 133 18.724 0.991 -2.898 1.00 0.00 C ATOM 2019 O LEU A 133 17.800 1.177 -3.690 1.00 0.00 O ATOM 2020 CB LEU A 133 20.758 0.473 -4.368 1.00 0.00 C ATOM 2021 CG LEU A 133 20.105 1.360 -5.431 1.00 0.00 C ATOM 2022 CD1 LEU A 133 18.864 0.688 -6.018 1.00 0.00 C ATOM 2023 CD2 LEU A 133 19.794 2.750 -4.870 1.00 0.00 C ATOM 0 H LEU A 133 18.251 -1.296 -3.623 1.00 0.00 H new ATOM 0 HA LEU A 133 20.482 -0.065 -2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 133 21.596 1.018 -3.933 1.00 0.00 H new ATOM 0 HB3 LEU A 133 21.171 -0.407 -4.861 1.00 0.00 H new ATOM 0 HG LEU A 133 20.815 1.494 -6.247 1.00 0.00 H new ATOM 0 HD11 LEU A 133 18.419 1.339 -6.771 1.00 0.00 H new ATOM 0 HD12 LEU A 133 19.146 -0.259 -6.478 1.00 0.00 H new ATOM 0 HD13 LEU A 133 18.140 0.504 -5.224 1.00 0.00 H new ATOM 0 HD21 LEU A 133 19.331 3.360 -5.645 1.00 0.00 H new ATOM 0 HD22 LEU A 133 19.111 2.657 -4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 133 20.718 3.224 -4.539 1.00 0.00 H new ATOM 2035 N VAL A 134 18.841 1.598 -1.726 1.00 0.00 N ATOM 2036 CA VAL A 134 17.850 2.561 -1.279 1.00 0.00 C ATOM 2037 C VAL A 134 18.494 3.945 -1.183 1.00 0.00 C ATOM 2038 O VAL A 134 18.068 4.880 -1.857 1.00 0.00 O ATOM 2039 CB VAL A 134 17.230 2.097 0.042 1.00 0.00 C ATOM 2040 CG1 VAL A 134 16.266 3.148 0.594 1.00 0.00 C ATOM 2041 CG2 VAL A 134 16.531 0.746 -0.126 1.00 0.00 C ATOM 0 H VAL A 134 19.608 1.441 -1.072 1.00 0.00 H new ATOM 0 HA VAL A 134 17.035 2.632 -2.000 1.00 0.00 H new ATOM 0 HB VAL A 134 18.036 1.970 0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 134 15.840 2.793 1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 134 16.804 4.079 0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 134 15.466 3.321 -0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 134 16.099 0.439 0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 134 15.740 0.836 -0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 134 17.255 -0.000 -0.453 1.00 0.00 H new ATOM 2051 N ILE A 135 19.513 4.031 -0.338 1.00 0.00 N ATOM 2052 CA ILE A 135 20.220 5.285 -0.145 1.00 0.00 C ATOM 2053 C ILE A 135 21.576 5.214 -0.850 1.00 0.00 C ATOM 2054 O ILE A 135 22.258 6.227 -0.995 1.00 0.00 O ATOM 2055 CB ILE A 135 20.317 5.622 1.343 1.00 0.00 C ATOM 2056 CG1 ILE A 135 20.662 4.379 2.166 1.00 0.00 C ATOM 2057 CG2 ILE A 135 19.036 6.299 1.838 1.00 0.00 C ATOM 2058 CD1 ILE A 135 19.396 3.616 2.564 1.00 0.00 C ATOM 0 H ILE A 135 19.865 3.253 0.220 1.00 0.00 H new ATOM 0 HA ILE A 135 19.667 6.108 -0.598 1.00 0.00 H new ATOM 0 HB ILE A 135 21.131 6.334 1.478 1.00 0.00 H new ATOM 0 HG12 ILE A 135 21.318 3.727 1.589 1.00 0.00 H new ATOM 0 HG13 ILE A 135 21.211 4.672 3.061 1.00 0.00 H new ATOM 0 HG21 ILE A 135 19.132 6.528 2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 135 18.874 7.222 1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 135 18.189 5.630 1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 135 19.669 2.737 3.148 1.00 0.00 H new ATOM 0 HD12 ILE A 135 18.754 4.263 3.161 1.00 0.00 H new ATOM 0 HD13 ILE A 135 18.862 3.304 1.666 1.00 0.00 H new ATOM 2070 N GLY A 136 21.927 4.006 -1.268 1.00 0.00 N ATOM 2071 CA GLY A 136 23.190 3.789 -1.953 1.00 0.00 C ATOM 2072 C GLY A 136 24.328 3.573 -0.952 1.00 0.00 C ATOM 2073 O GLY A 136 25.487 3.854 -1.253 1.00 0.00 O ATOM 0 H GLY A 136 21.359 3.168 -1.145 1.00 0.00 H new ATOM 0 HA2 GLY A 136 23.108 2.922 -2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 136 23.416 4.647 -2.586 1.00 0.00 H new ATOM 2077 N GLU A 137 23.955 3.076 0.219 1.00 0.00 N ATOM 2078 CA GLU A 137 24.930 2.819 1.266 1.00 0.00 C ATOM 2079 C GLU A 137 25.275 1.329 1.316 1.00 0.00 C ATOM 2080 O GLU A 137 24.676 0.525 0.603 1.00 0.00 O ATOM 2081 CB GLU A 137 24.420 3.310 2.623 1.00 0.00 C ATOM 2082 CG GLU A 137 24.851 4.755 2.880 1.00 0.00 C ATOM 2083 CD GLU A 137 26.195 4.806 3.608 1.00 0.00 C ATOM 2084 OE1 GLU A 137 26.305 4.113 4.642 1.00 0.00 O ATOM 2085 OE2 GLU A 137 27.081 5.534 3.113 1.00 0.00 O ATOM 0 H GLU A 137 22.993 2.845 0.465 1.00 0.00 H new ATOM 0 HA GLU A 137 25.839 3.375 1.034 1.00 0.00 H new ATOM 0 HB2 GLU A 137 23.333 3.240 2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 137 24.804 2.666 3.414 1.00 0.00 H new ATOM 0 HG2 GLU A 137 24.926 5.290 1.933 1.00 0.00 H new ATOM 0 HG3 GLU A 137 24.092 5.264 3.474 1.00 0.00 H new ATOM 2092 N VAL A 138 26.238 1.005 2.167 1.00 0.00 N ATOM 2093 CA VAL A 138 26.670 -0.373 2.319 1.00 0.00 C ATOM 2094 C VAL A 138 25.623 -1.144 3.129 1.00 0.00 C ATOM 2095 O VAL A 138 25.416 -0.862 4.309 1.00 0.00 O ATOM 2096 CB VAL A 138 28.064 -0.418 2.948 1.00 0.00 C ATOM 2097 CG1 VAL A 138 28.007 -0.986 4.368 1.00 0.00 C ATOM 2098 CG2 VAL A 138 29.032 -1.220 2.075 1.00 0.00 C ATOM 0 H VAL A 138 26.731 1.674 2.758 1.00 0.00 H new ATOM 0 HA VAL A 138 26.751 -0.858 1.346 1.00 0.00 H new ATOM 0 HB VAL A 138 28.437 0.604 3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 138 29.011 -1.007 4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 138 27.365 -0.358 4.986 1.00 0.00 H new ATOM 0 HG13 VAL A 138 27.604 -1.998 4.339 1.00 0.00 H new ATOM 0 HG21 VAL A 138 30.016 -1.237 2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 138 28.664 -2.240 1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 138 29.106 -0.755 1.092 1.00 0.00 H new ATOM 2108 N LEU A 139 24.994 -2.101 2.463 1.00 0.00 N ATOM 2109 CA LEU A 139 23.976 -2.913 3.106 1.00 0.00 C ATOM 2110 C LEU A 139 23.330 -3.831 2.066 1.00 0.00 C ATOM 2111 O LEU A 139 23.538 -5.043 2.089 1.00 0.00 O ATOM 2112 CB LEU A 139 22.974 -2.027 3.850 1.00 0.00 C ATOM 2113 CG LEU A 139 22.767 -2.347 5.332 1.00 0.00 C ATOM 2114 CD1 LEU A 139 22.181 -3.749 5.514 1.00 0.00 C ATOM 2115 CD2 LEU A 139 24.065 -2.161 6.119 1.00 0.00 C ATOM 0 H LEU A 139 25.170 -2.332 1.485 1.00 0.00 H new ATOM 0 HA LEU A 139 24.424 -3.555 3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 139 23.302 -0.991 3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 139 22.011 -2.099 3.345 1.00 0.00 H new ATOM 0 HG LEU A 139 22.042 -1.641 5.736 1.00 0.00 H new ATOM 0 HD11 LEU A 139 22.044 -3.951 6.576 1.00 0.00 H new ATOM 0 HD12 LEU A 139 21.219 -3.810 5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 139 22.863 -4.486 5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 139 23.890 -2.395 7.169 1.00 0.00 H new ATOM 0 HD22 LEU A 139 24.830 -2.827 5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 139 24.401 -1.128 6.028 1.00 0.00 H new ATOM 2127 N ALA A 140 22.561 -3.220 1.179 1.00 0.00 N ATOM 2128 CA ALA A 140 21.884 -3.967 0.133 1.00 0.00 C ATOM 2129 C ALA A 140 22.880 -4.285 -0.985 1.00 0.00 C ATOM 2130 O ALA A 140 23.959 -3.699 -1.045 1.00 0.00 O ATOM 2131 CB ALA A 140 20.680 -3.168 -0.370 1.00 0.00 C ATOM 0 H ALA A 140 22.391 -2.214 1.163 1.00 0.00 H new ATOM 0 HA ALA A 140 21.507 -4.914 0.520 1.00 0.00 H new ATOM 0 HB1 ALA A 140 20.173 -3.729 -1.155 1.00 0.00 H new ATOM 0 HB2 ALA A 140 19.989 -2.993 0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 140 21.019 -2.212 -0.769 1.00 0.00 H new ATOM 2137 N GLU A 141 22.480 -5.213 -1.843 1.00 0.00 N ATOM 2138 CA GLU A 141 23.323 -5.616 -2.955 1.00 0.00 C ATOM 2139 C GLU A 141 23.427 -4.486 -3.981 1.00 0.00 C ATOM 2140 O GLU A 141 22.651 -4.434 -4.934 1.00 0.00 O ATOM 2141 CB GLU A 141 22.799 -6.898 -3.604 1.00 0.00 C ATOM 2142 CG GLU A 141 23.575 -8.121 -3.112 1.00 0.00 C ATOM 2143 CD GLU A 141 22.824 -9.415 -3.434 1.00 0.00 C ATOM 2144 OE1 GLU A 141 22.912 -9.845 -4.605 1.00 0.00 O ATOM 2145 OE2 GLU A 141 22.182 -9.943 -2.502 1.00 0.00 O ATOM 0 H GLU A 141 21.584 -5.697 -1.790 1.00 0.00 H new ATOM 0 HA GLU A 141 24.321 -5.824 -2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 141 21.740 -7.019 -3.375 1.00 0.00 H new ATOM 0 HB3 GLU A 141 22.884 -6.821 -4.688 1.00 0.00 H new ATOM 0 HG2 GLU A 141 24.560 -8.143 -3.578 1.00 0.00 H new ATOM 0 HG3 GLU A 141 23.733 -8.047 -2.036 1.00 0.00 H new ATOM 2152 N VAL A 142 24.391 -3.606 -3.748 1.00 0.00 N ATOM 2153 CA VAL A 142 24.605 -2.479 -4.640 1.00 0.00 C ATOM 2154 C VAL A 142 25.176 -2.984 -5.967 1.00 0.00 C ATOM 2155 O VAL A 142 24.448 -3.121 -6.948 1.00 0.00 O ATOM 2156 CB VAL A 142 25.500 -1.439 -3.963 1.00 0.00 C ATOM 2157 CG1 VAL A 142 24.941 -1.044 -2.594 1.00 0.00 C ATOM 2158 CG2 VAL A 142 26.938 -1.947 -3.842 1.00 0.00 C ATOM 0 H VAL A 142 25.031 -3.651 -2.955 1.00 0.00 H new ATOM 0 HA VAL A 142 23.660 -1.983 -4.861 1.00 0.00 H new ATOM 0 HB VAL A 142 25.512 -0.548 -4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 142 25.595 -0.304 -2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 142 23.944 -0.621 -2.716 1.00 0.00 H new ATOM 0 HG13 VAL A 142 24.885 -1.926 -1.956 1.00 0.00 H new ATOM 0 HG21 VAL A 142 27.552 -1.188 -3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 142 26.952 -2.860 -3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 142 27.335 -2.155 -4.835 1.00 0.00 H new TER 2168 VAL A 142