USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 737 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 70 HIS : no HE2:sc= -13.3! C(o=-13!,f=-15!) USER MOD Set 1.2: A 106 HIS : no HD1:sc=-0.000604 X(o=-13,f=-13) USER MOD Set 2.1: A 35 HIS : no HE2:sc= -1.32 K(o=-12,f=-15!) USER MOD Set 2.2: A 52 HIS : no HE2:sc= -10.5! C(o=-12!,f=-12!) USER MOD Set 3.1: A 24 THR OG1 : rot -76:sc= 1.17 USER MOD Set 3.2: A 25 HIS : no HE2:sc= -2.78! C(o=-1.6!,f=-14!) USER MOD Set 3.3: A 83 HIS : no HE2:sc= 0.012 K(o=-1.6,f=-2.3) USER MOD Set 4.1: A 22 HIS : no HE2:sc= 0 X(o=-0.1,f=-0.53) USER MOD Set 4.2: A 34 HIS : no HD1:sc= -0.104 K(o=-0.1,f=-0.96) USER MOD Single : A 10 LYS NZ :NH3+ 145:sc= -0.299 (180deg=-1.6!) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 179:sc= -1.33 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -6.87! C(o=-6.9!,f=-11!) USER MOD Single : A 21 ASN : amide:sc= -0.355 K(o=-0.35,f=-3.8!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0289 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -102:sc= 0.00123 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 170:sc= 0.116 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.529 X(o=-0.53,f=-0.16) USER MOD Single : A 40 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.0705) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.0496 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc=-0.00112 USER MOD Single : A 51 CYS SG : rot 180:sc= -0.845 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= -0.0211 (180deg=-0.0211) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0.344 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -13.1! C(o=-13!,f=-14!) USER MOD Single : A 69 MET CE :methyl -157:sc= -5.84! (180deg=-7.84!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.309 K(o=-0.31,f=-3.3!) USER MOD Single : A 74 THR OG1 : rot 77:sc= 1.19 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -142:sc= 2.16 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 163:sc= -0.361 (180deg=-1.26) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -6:sc= -1.38! USER MOD Single : A 100 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 54:sc= 0.91 USER MOD Single : A 104 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.091) USER MOD Single : A 105 CYS SG : rot 180:sc= 0.00466 USER MOD ----------------------------------------------------------------- ATOM 49 N ALA A 4 -3.075 -9.278 -8.310 1.00 0.00 N ATOM 50 CA ALA A 4 -3.712 -8.002 -8.589 1.00 0.00 C ATOM 51 C ALA A 4 -4.989 -8.240 -9.398 1.00 0.00 C ATOM 52 O ALA A 4 -4.963 -8.486 -10.601 1.00 0.00 O ATOM 53 CB ALA A 4 -2.724 -7.086 -9.316 1.00 0.00 C ATOM 0 HA ALA A 4 -3.997 -7.505 -7.662 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.202 -6.129 -9.525 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.848 -6.925 -8.688 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.418 -7.551 -10.253 1.00 0.00 H new ATOM 59 N PRO A 5 -6.123 -8.160 -8.697 1.00 0.00 N ATOM 60 CA PRO A 5 -7.443 -8.349 -9.259 1.00 0.00 C ATOM 61 C PRO A 5 -7.554 -7.584 -10.571 1.00 0.00 C ATOM 62 O PRO A 5 -6.687 -6.758 -10.851 1.00 0.00 O ATOM 63 CB PRO A 5 -8.398 -7.780 -8.212 1.00 0.00 C ATOM 64 CG PRO A 5 -7.629 -8.190 -6.882 1.00 0.00 C ATOM 65 CD PRO A 5 -6.189 -7.873 -7.281 1.00 0.00 C ATOM 0 HA PRO A 5 -7.665 -9.393 -9.480 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.523 -6.701 -8.305 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.392 -8.222 -8.271 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -7.957 -7.611 -6.019 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -7.767 -9.242 -6.631 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.943 -6.831 -7.077 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -5.480 -8.483 -6.721 1.00 0.00 H new ATOM 73 N ALA A 6 -8.597 -7.868 -11.337 1.00 0.00 N ATOM 74 CA ALA A 6 -8.795 -7.196 -12.610 1.00 0.00 C ATOM 75 C ALA A 6 -9.427 -5.825 -12.365 1.00 0.00 C ATOM 76 O ALA A 6 -10.441 -5.719 -11.677 1.00 0.00 O ATOM 77 CB ALA A 6 -9.648 -8.077 -13.525 1.00 0.00 C ATOM 0 H ALA A 6 -9.314 -8.554 -11.101 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.841 -7.034 -13.111 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.797 -7.573 -14.480 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.141 -9.027 -13.691 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.615 -8.259 -13.056 1.00 0.00 H new ATOM 83 N ASP A 7 -8.803 -4.809 -12.942 1.00 0.00 N ATOM 84 CA ASP A 7 -9.292 -3.449 -12.795 1.00 0.00 C ATOM 85 C ASP A 7 -10.813 -3.437 -12.963 1.00 0.00 C ATOM 86 O ASP A 7 -11.395 -4.408 -13.446 1.00 0.00 O ATOM 87 CB ASP A 7 -8.692 -2.529 -13.861 1.00 0.00 C ATOM 88 CG ASP A 7 -8.067 -3.248 -15.058 1.00 0.00 C ATOM 89 OD1 ASP A 7 -6.975 -3.825 -14.866 1.00 0.00 O ATOM 90 OD2 ASP A 7 -8.695 -3.205 -16.138 1.00 0.00 O ATOM 0 H ASP A 7 -7.962 -4.900 -13.513 1.00 0.00 H new ATOM 0 HA ASP A 7 -9.003 -3.092 -11.806 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -9.473 -1.861 -14.225 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -7.931 -1.904 -13.394 1.00 0.00 H new ATOM 95 N GLY A 8 -11.413 -2.329 -12.556 1.00 0.00 N ATOM 96 CA GLY A 8 -12.854 -2.178 -12.655 1.00 0.00 C ATOM 97 C GLY A 8 -13.498 -2.127 -11.268 1.00 0.00 C ATOM 98 O GLY A 8 -14.676 -2.443 -11.114 1.00 0.00 O ATOM 0 H GLY A 8 -10.927 -1.526 -12.156 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.091 -1.266 -13.203 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.272 -3.009 -13.223 1.00 0.00 H new ATOM 102 N LEU A 9 -12.694 -1.726 -10.293 1.00 0.00 N ATOM 103 CA LEU A 9 -13.170 -1.629 -8.924 1.00 0.00 C ATOM 104 C LEU A 9 -13.295 -0.154 -8.535 1.00 0.00 C ATOM 105 O LEU A 9 -12.360 0.623 -8.725 1.00 0.00 O ATOM 106 CB LEU A 9 -12.272 -2.438 -7.986 1.00 0.00 C ATOM 107 CG LEU A 9 -11.314 -1.628 -7.110 1.00 0.00 C ATOM 108 CD1 LEU A 9 -12.012 -1.142 -5.839 1.00 0.00 C ATOM 109 CD2 LEU A 9 -10.047 -2.428 -6.799 1.00 0.00 C ATOM 0 H LEU A 9 -11.717 -1.465 -10.425 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.164 -2.068 -8.834 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.908 -3.039 -7.335 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.684 -3.132 -8.587 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.007 -0.743 -7.667 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.309 -0.569 -5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.859 -0.510 -6.108 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.367 -2.000 -5.268 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.383 -1.830 -6.175 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.315 -3.343 -6.271 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.539 -2.682 -7.730 1.00 0.00 H new ATOM 121 N LYS A 10 -14.457 0.187 -7.998 1.00 0.00 N ATOM 122 CA LYS A 10 -14.716 1.554 -7.581 1.00 0.00 C ATOM 123 C LYS A 10 -15.309 1.549 -6.170 1.00 0.00 C ATOM 124 O LYS A 10 -16.229 0.786 -5.883 1.00 0.00 O ATOM 125 CB LYS A 10 -15.590 2.272 -8.612 1.00 0.00 C ATOM 126 CG LYS A 10 -17.018 1.726 -8.597 1.00 0.00 C ATOM 127 CD LYS A 10 -17.071 0.312 -9.179 1.00 0.00 C ATOM 128 CE LYS A 10 -18.196 0.184 -10.208 1.00 0.00 C ATOM 129 NZ LYS A 10 -18.094 1.256 -11.223 1.00 0.00 N ATOM 0 H LYS A 10 -15.230 -0.460 -7.842 1.00 0.00 H new ATOM 0 HA LYS A 10 -13.786 2.121 -7.535 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.604 3.341 -8.401 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.161 2.149 -9.606 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -17.397 1.717 -7.575 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -17.669 2.384 -9.172 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.116 0.072 -9.647 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -17.223 -0.410 -8.377 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -18.144 -0.791 -10.693 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -19.163 0.240 -9.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -18.394 0.888 -12.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -18.707 2.051 -10.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -17.109 1.584 -11.284 1.00 0.00 H new ATOM 143 N MET A 11 -14.756 2.409 -5.328 1.00 0.00 N ATOM 144 CA MET A 11 -15.218 2.514 -3.954 1.00 0.00 C ATOM 145 C MET A 11 -16.240 3.642 -3.804 1.00 0.00 C ATOM 146 O MET A 11 -15.917 4.810 -4.020 1.00 0.00 O ATOM 147 CB MET A 11 -14.025 2.778 -3.033 1.00 0.00 C ATOM 148 CG MET A 11 -12.827 1.911 -3.425 1.00 0.00 C ATOM 149 SD MET A 11 -12.249 0.992 -2.009 1.00 0.00 S ATOM 150 CE MET A 11 -11.233 2.233 -1.226 1.00 0.00 C ATOM 0 H MET A 11 -13.992 3.040 -5.570 1.00 0.00 H new ATOM 0 HA MET A 11 -15.699 1.575 -3.679 1.00 0.00 H new ATOM 0 HB2 MET A 11 -13.748 3.831 -3.083 1.00 0.00 H new ATOM 0 HB3 MET A 11 -14.306 2.571 -2.000 1.00 0.00 H new ATOM 0 HG2 MET A 11 -13.110 1.225 -4.223 1.00 0.00 H new ATOM 0 HG3 MET A 11 -12.025 2.539 -3.814 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.791 1.822 -0.318 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.440 2.538 -1.909 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.846 3.098 -0.972 1.00 0.00 H new ATOM 160 N GLU A 12 -17.451 3.255 -3.433 1.00 0.00 N ATOM 161 CA GLU A 12 -18.522 4.220 -3.251 1.00 0.00 C ATOM 162 C GLU A 12 -19.463 3.764 -2.134 1.00 0.00 C ATOM 163 O GLU A 12 -20.667 3.627 -2.349 1.00 0.00 O ATOM 164 CB GLU A 12 -19.288 4.442 -4.557 1.00 0.00 C ATOM 165 CG GLU A 12 -19.935 3.143 -5.041 1.00 0.00 C ATOM 166 CD GLU A 12 -19.988 3.093 -6.569 1.00 0.00 C ATOM 167 OE1 GLU A 12 -20.349 4.135 -7.159 1.00 0.00 O ATOM 168 OE2 GLU A 12 -19.667 2.015 -7.113 1.00 0.00 O ATOM 0 H GLU A 12 -17.715 2.286 -3.253 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.080 5.173 -2.961 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -20.056 5.201 -4.408 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.609 4.821 -5.321 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -19.371 2.289 -4.665 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -20.944 3.062 -4.636 1.00 0.00 H new ATOM 175 N ALA A 13 -18.879 3.542 -0.966 1.00 0.00 N ATOM 176 CA ALA A 13 -19.651 3.104 0.185 1.00 0.00 C ATOM 177 C ALA A 13 -20.333 4.314 0.826 1.00 0.00 C ATOM 178 O ALA A 13 -21.466 4.215 1.295 1.00 0.00 O ATOM 179 CB ALA A 13 -18.735 2.365 1.163 1.00 0.00 C ATOM 0 H ALA A 13 -17.881 3.657 -0.791 1.00 0.00 H new ATOM 0 HA ALA A 13 -20.432 2.408 -0.119 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -19.314 2.037 2.026 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.298 1.498 0.668 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.940 3.034 1.493 1.00 0.00 H new ATOM 185 N THR A 14 -19.615 5.427 0.826 1.00 0.00 N ATOM 186 CA THR A 14 -20.138 6.655 1.402 1.00 0.00 C ATOM 187 C THR A 14 -20.867 7.476 0.337 1.00 0.00 C ATOM 188 O THR A 14 -21.295 6.936 -0.682 1.00 0.00 O ATOM 189 CB THR A 14 -18.974 7.403 2.054 1.00 0.00 C ATOM 190 OG1 THR A 14 -18.376 8.121 0.978 1.00 0.00 O ATOM 191 CG2 THR A 14 -17.867 6.462 2.535 1.00 0.00 C ATOM 0 H THR A 14 -18.676 5.505 0.437 1.00 0.00 H new ATOM 0 HA THR A 14 -20.882 6.446 2.171 1.00 0.00 H new ATOM 0 HB THR A 14 -19.345 7.986 2.897 1.00 0.00 H new ATOM 0 HG1 THR A 14 -17.622 8.648 1.316 1.00 0.00 H new ATOM 0 HG21 THR A 14 -17.066 7.045 2.989 1.00 0.00 H new ATOM 0 HG22 THR A 14 -18.273 5.768 3.271 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.472 5.902 1.688 1.00 0.00 H new ATOM 199 N LYS A 15 -20.986 8.767 0.609 1.00 0.00 N ATOM 200 CA LYS A 15 -21.656 9.667 -0.313 1.00 0.00 C ATOM 201 C LYS A 15 -20.631 10.248 -1.288 1.00 0.00 C ATOM 202 O LYS A 15 -20.782 11.376 -1.755 1.00 0.00 O ATOM 203 CB LYS A 15 -22.446 10.730 0.454 1.00 0.00 C ATOM 204 CG LYS A 15 -23.453 10.083 1.408 1.00 0.00 C ATOM 205 CD LYS A 15 -24.677 10.979 1.602 1.00 0.00 C ATOM 206 CE LYS A 15 -25.972 10.183 1.431 1.00 0.00 C ATOM 207 NZ LYS A 15 -26.418 9.632 2.730 1.00 0.00 N ATOM 0 H LYS A 15 -20.629 9.211 1.455 1.00 0.00 H new ATOM 0 HA LYS A 15 -22.391 9.124 -0.908 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -21.760 11.362 1.018 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -22.970 11.377 -0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -23.765 9.116 1.013 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -22.978 9.896 2.371 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -24.650 11.427 2.595 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -24.651 11.797 0.882 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -26.749 10.826 1.016 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -25.816 9.372 0.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -27.298 9.095 2.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -25.683 9.003 3.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -26.587 10.411 3.398 1.00 0.00 H new ATOM 221 N GLN A 16 -19.610 9.451 -1.568 1.00 0.00 N ATOM 222 CA GLN A 16 -18.559 9.872 -2.479 1.00 0.00 C ATOM 223 C GLN A 16 -17.872 8.653 -3.096 1.00 0.00 C ATOM 224 O GLN A 16 -17.052 7.981 -2.473 1.00 0.00 O ATOM 225 CB GLN A 16 -17.546 10.772 -1.769 1.00 0.00 C ATOM 226 CG GLN A 16 -17.941 10.998 -0.308 1.00 0.00 C ATOM 227 CD GLN A 16 -18.819 12.242 -0.164 1.00 0.00 C ATOM 228 OE1 GLN A 16 -19.902 12.208 0.397 1.00 0.00 O ATOM 229 NE2 GLN A 16 -18.294 13.340 -0.700 1.00 0.00 N ATOM 0 H GLN A 16 -19.488 8.516 -1.180 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.012 10.454 -3.282 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -16.556 10.318 -1.816 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -17.482 11.730 -2.284 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -18.476 10.125 0.067 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -17.044 11.109 0.302 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -17.382 13.299 -1.155 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -18.803 14.223 -0.656 1.00 0.00 H new ATOM 238 N PRO A 17 -18.229 8.379 -4.353 1.00 0.00 N ATOM 239 CA PRO A 17 -17.704 7.276 -5.129 1.00 0.00 C ATOM 240 C PRO A 17 -16.349 7.659 -5.708 1.00 0.00 C ATOM 241 O PRO A 17 -16.239 8.729 -6.304 1.00 0.00 O ATOM 242 CB PRO A 17 -18.730 7.054 -6.238 1.00 0.00 C ATOM 243 CG PRO A 17 -19.263 8.453 -6.472 1.00 0.00 C ATOM 244 CD PRO A 17 -19.189 9.148 -5.114 1.00 0.00 C ATOM 0 HA PRO A 17 -17.554 6.374 -4.536 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.274 6.637 -7.136 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -19.517 6.365 -5.931 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -18.667 8.981 -7.216 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -20.287 8.426 -6.844 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -18.871 10.185 -5.218 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.162 9.161 -4.624 1.00 0.00 H new ATOM 252 N VAL A 18 -15.361 6.796 -5.525 1.00 0.00 N ATOM 253 CA VAL A 18 -14.028 7.066 -6.037 1.00 0.00 C ATOM 254 C VAL A 18 -13.467 5.797 -6.682 1.00 0.00 C ATOM 255 O VAL A 18 -13.148 4.832 -5.988 1.00 0.00 O ATOM 256 CB VAL A 18 -13.138 7.611 -4.918 1.00 0.00 C ATOM 257 CG1 VAL A 18 -11.725 7.897 -5.430 1.00 0.00 C ATOM 258 CG2 VAL A 18 -13.755 8.861 -4.286 1.00 0.00 C ATOM 0 H VAL A 18 -15.456 5.910 -5.030 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.064 7.835 -6.809 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.066 6.845 -4.146 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.114 8.283 -4.614 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.283 6.976 -5.811 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.771 8.635 -6.230 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.103 9.228 -3.494 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.872 9.633 -5.046 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.730 8.613 -3.867 1.00 0.00 H new ATOM 268 N VAL A 19 -13.363 5.839 -8.002 1.00 0.00 N ATOM 269 CA VAL A 19 -12.845 4.705 -8.748 1.00 0.00 C ATOM 270 C VAL A 19 -11.349 4.555 -8.469 1.00 0.00 C ATOM 271 O VAL A 19 -10.656 5.544 -8.231 1.00 0.00 O ATOM 272 CB VAL A 19 -13.163 4.868 -10.236 1.00 0.00 C ATOM 273 CG1 VAL A 19 -11.965 5.447 -10.991 1.00 0.00 C ATOM 274 CG2 VAL A 19 -13.610 3.540 -10.851 1.00 0.00 C ATOM 0 H VAL A 19 -13.629 6.641 -8.574 1.00 0.00 H new ATOM 0 HA VAL A 19 -13.329 3.783 -8.425 1.00 0.00 H new ATOM 0 HB VAL A 19 -13.989 5.573 -10.327 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.217 5.553 -12.046 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.712 6.424 -10.578 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.111 4.777 -10.887 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -13.830 3.685 -11.909 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.814 2.803 -10.743 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.505 3.185 -10.340 1.00 0.00 H new ATOM 284 N PHE A 20 -10.893 3.312 -8.508 1.00 0.00 N ATOM 285 CA PHE A 20 -9.491 3.021 -8.262 1.00 0.00 C ATOM 286 C PHE A 20 -9.081 1.701 -8.919 1.00 0.00 C ATOM 287 O PHE A 20 -9.543 0.634 -8.517 1.00 0.00 O ATOM 288 CB PHE A 20 -9.319 2.897 -6.747 1.00 0.00 C ATOM 289 CG PHE A 20 -7.883 2.605 -6.305 1.00 0.00 C ATOM 290 CD1 PHE A 20 -6.876 2.613 -7.218 1.00 0.00 C ATOM 291 CD2 PHE A 20 -7.615 2.338 -4.999 1.00 0.00 C ATOM 292 CE1 PHE A 20 -5.544 2.342 -6.808 1.00 0.00 C ATOM 293 CE2 PHE A 20 -6.283 2.067 -4.589 1.00 0.00 C ATOM 294 CZ PHE A 20 -5.275 2.075 -5.502 1.00 0.00 C ATOM 0 H PHE A 20 -11.470 2.494 -8.706 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.868 3.813 -8.679 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.652 3.822 -6.277 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.969 2.102 -6.382 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.089 2.825 -8.255 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -8.415 2.332 -4.274 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.744 2.348 -7.534 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.070 1.854 -3.552 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.262 1.869 -5.190 1.00 0.00 H new ATOM 304 N ASN A 21 -8.219 1.817 -9.918 1.00 0.00 N ATOM 305 CA ASN A 21 -7.742 0.646 -10.635 1.00 0.00 C ATOM 306 C ASN A 21 -6.300 0.352 -10.219 1.00 0.00 C ATOM 307 O ASN A 21 -5.469 1.254 -10.142 1.00 0.00 O ATOM 308 CB ASN A 21 -7.760 0.881 -12.146 1.00 0.00 C ATOM 309 CG ASN A 21 -8.788 1.949 -12.524 1.00 0.00 C ATOM 310 OD1 ASN A 21 -8.736 3.083 -12.079 1.00 0.00 O ATOM 311 ND2 ASN A 21 -9.724 1.524 -13.368 1.00 0.00 N ATOM 0 H ASN A 21 -7.838 2.704 -10.248 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.399 -0.189 -10.392 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.770 1.190 -12.481 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.994 -0.052 -12.660 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.456 2.162 -13.681 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.709 0.561 -13.703 1.00 0.00 H new ATOM 318 N HIS A 22 -6.040 -0.930 -9.957 1.00 0.00 N ATOM 319 CA HIS A 22 -4.722 -1.402 -9.546 1.00 0.00 C ATOM 320 C HIS A 22 -3.692 -1.094 -10.648 1.00 0.00 C ATOM 321 O HIS A 22 -2.489 -1.100 -10.389 1.00 0.00 O ATOM 322 CB HIS A 22 -4.821 -2.888 -9.172 1.00 0.00 C ATOM 323 CG HIS A 22 -5.368 -3.208 -7.799 1.00 0.00 C ATOM 324 ND1 HIS A 22 -6.677 -3.231 -7.534 1.00 0.00 N ATOM 325 CD2 HIS A 22 -4.733 -3.519 -6.621 1.00 0.00 C ATOM 326 CE1 HIS A 22 -6.852 -3.544 -6.240 1.00 0.00 C ATOM 327 NE2 HIS A 22 -5.683 -3.733 -5.630 1.00 0.00 N ATOM 0 H HIS A 22 -6.740 -1.669 -10.025 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.370 -0.878 -8.657 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.449 -3.384 -9.912 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.826 -3.326 -9.252 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -7.422 -3.042 -8.205 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.664 -3.587 -6.486 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -7.814 -3.631 -5.757 1.00 0.00 H new ATOM 335 N SER A 23 -4.201 -0.832 -11.843 1.00 0.00 N ATOM 336 CA SER A 23 -3.340 -0.524 -12.972 1.00 0.00 C ATOM 337 C SER A 23 -2.680 0.842 -12.769 1.00 0.00 C ATOM 338 O SER A 23 -1.508 1.023 -13.094 1.00 0.00 O ATOM 339 CB SER A 23 -4.124 -0.545 -14.285 1.00 0.00 C ATOM 340 OG SER A 23 -5.200 0.389 -14.279 1.00 0.00 O ATOM 0 H SER A 23 -5.199 -0.827 -12.054 1.00 0.00 H new ATOM 0 HA SER A 23 -2.566 -1.289 -13.031 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.452 -0.318 -15.112 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.515 -1.548 -14.458 1.00 0.00 H new ATOM 0 HG SER A 23 -5.675 0.346 -15.135 1.00 0.00 H new ATOM 346 N THR A 24 -3.462 1.767 -12.234 1.00 0.00 N ATOM 347 CA THR A 24 -2.969 3.111 -11.985 1.00 0.00 C ATOM 348 C THR A 24 -2.039 3.121 -10.769 1.00 0.00 C ATOM 349 O THR A 24 -1.445 4.145 -10.439 1.00 0.00 O ATOM 350 CB THR A 24 -4.177 4.038 -11.833 1.00 0.00 C ATOM 351 OG1 THR A 24 -4.893 3.496 -10.727 1.00 0.00 O ATOM 352 CG2 THR A 24 -5.155 3.921 -13.004 1.00 0.00 C ATOM 0 H THR A 24 -4.434 1.613 -11.966 1.00 0.00 H new ATOM 0 HA THR A 24 -2.367 3.472 -12.819 1.00 0.00 H new ATOM 0 HB THR A 24 -3.835 5.069 -11.747 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.377 2.693 -11.012 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.994 4.599 -12.847 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.645 4.183 -13.931 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.524 2.897 -13.069 1.00 0.00 H new ATOM 360 N HIS A 25 -1.939 1.957 -10.127 1.00 0.00 N ATOM 361 CA HIS A 25 -1.101 1.773 -8.948 1.00 0.00 C ATOM 362 C HIS A 25 -0.532 0.342 -8.932 1.00 0.00 C ATOM 363 O HIS A 25 -0.619 -0.347 -7.917 1.00 0.00 O ATOM 364 CB HIS A 25 -1.913 2.144 -7.698 1.00 0.00 C ATOM 365 CG HIS A 25 -2.502 3.535 -7.659 1.00 0.00 C ATOM 366 ND1 HIS A 25 -3.456 3.937 -8.504 1.00 0.00 N ATOM 367 CD2 HIS A 25 -2.237 4.608 -6.842 1.00 0.00 C ATOM 368 CE1 HIS A 25 -3.773 5.211 -8.225 1.00 0.00 C ATOM 369 NE2 HIS A 25 -3.050 5.675 -7.207 1.00 0.00 N ATOM 0 H HIS A 25 -2.439 1.115 -10.413 1.00 0.00 H new ATOM 0 HA HIS A 25 -0.235 2.435 -8.966 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.727 1.427 -7.596 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.270 2.022 -6.826 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -3.875 3.369 -9.240 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.511 4.620 -6.042 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.517 5.785 -8.757 1.00 0.00 H new ATOM 377 N LYS A 26 0.035 -0.055 -10.062 1.00 0.00 N ATOM 378 CA LYS A 26 0.612 -1.383 -10.183 1.00 0.00 C ATOM 379 C LYS A 26 2.128 -1.293 -9.997 1.00 0.00 C ATOM 380 O LYS A 26 2.844 -0.863 -10.900 1.00 0.00 O ATOM 381 CB LYS A 26 0.192 -2.032 -11.503 1.00 0.00 C ATOM 382 CG LYS A 26 0.886 -1.360 -12.690 1.00 0.00 C ATOM 383 CD LYS A 26 2.111 -2.163 -13.135 1.00 0.00 C ATOM 384 CE LYS A 26 1.866 -2.831 -14.489 1.00 0.00 C ATOM 385 NZ LYS A 26 1.141 -4.109 -14.313 1.00 0.00 N ATOM 0 H LYS A 26 0.107 0.520 -10.902 1.00 0.00 H new ATOM 0 HA LYS A 26 0.231 -2.037 -9.398 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.440 -3.093 -11.486 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.889 -1.959 -11.620 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.186 -1.267 -13.520 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.189 -0.350 -12.415 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.977 -1.505 -13.202 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.344 -2.922 -12.388 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.290 -2.165 -15.131 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.817 -3.012 -14.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.983 -4.549 -15.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.705 -4.749 -13.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.225 -3.928 -13.855 1.00 0.00 H new ATOM 399 N SER A 27 2.574 -1.707 -8.819 1.00 0.00 N ATOM 400 CA SER A 27 3.991 -1.678 -8.503 1.00 0.00 C ATOM 401 C SER A 27 4.189 -1.462 -7.002 1.00 0.00 C ATOM 402 O SER A 27 5.004 -2.138 -6.376 1.00 0.00 O ATOM 403 CB SER A 27 4.711 -0.585 -9.296 1.00 0.00 C ATOM 404 OG SER A 27 3.937 0.608 -9.383 1.00 0.00 O ATOM 0 H SER A 27 1.978 -2.064 -8.072 1.00 0.00 H new ATOM 0 HA SER A 27 4.423 -2.638 -8.785 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.667 -0.363 -8.822 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.930 -0.949 -10.300 1.00 0.00 H new ATOM 0 HG SER A 27 3.525 0.667 -10.270 1.00 0.00 H new ATOM 410 N VAL A 28 3.428 -0.518 -6.467 1.00 0.00 N ATOM 411 CA VAL A 28 3.509 -0.205 -5.051 1.00 0.00 C ATOM 412 C VAL A 28 3.257 -1.475 -4.236 1.00 0.00 C ATOM 413 O VAL A 28 2.312 -2.214 -4.508 1.00 0.00 O ATOM 414 CB VAL A 28 2.538 0.927 -4.709 1.00 0.00 C ATOM 415 CG1 VAL A 28 2.341 1.042 -3.196 1.00 0.00 C ATOM 416 CG2 VAL A 28 3.013 2.255 -5.302 1.00 0.00 C ATOM 0 H VAL A 28 2.753 0.040 -6.989 1.00 0.00 H new ATOM 0 HA VAL A 28 4.507 0.152 -4.796 1.00 0.00 H new ATOM 0 HB VAL A 28 1.573 0.687 -5.155 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.647 1.854 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.937 0.106 -2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.299 1.248 -2.719 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.305 3.043 -5.044 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.995 2.503 -4.899 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.078 2.167 -6.386 1.00 0.00 H new ATOM 426 N LYS A 29 4.120 -1.691 -3.254 1.00 0.00 N ATOM 427 CA LYS A 29 4.002 -2.860 -2.398 1.00 0.00 C ATOM 428 C LYS A 29 2.565 -2.970 -1.888 1.00 0.00 C ATOM 429 O LYS A 29 2.015 -2.006 -1.357 1.00 0.00 O ATOM 430 CB LYS A 29 5.049 -2.815 -1.283 1.00 0.00 C ATOM 431 CG LYS A 29 5.578 -4.216 -0.971 1.00 0.00 C ATOM 432 CD LYS A 29 6.038 -4.317 0.485 1.00 0.00 C ATOM 433 CE LYS A 29 7.297 -5.177 0.604 1.00 0.00 C ATOM 434 NZ LYS A 29 8.226 -4.601 1.601 1.00 0.00 N ATOM 0 H LYS A 29 4.904 -1.077 -3.032 1.00 0.00 H new ATOM 0 HA LYS A 29 4.210 -3.769 -2.963 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.875 -2.169 -1.580 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.611 -2.380 -0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.799 -4.954 -1.162 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.409 -4.451 -1.636 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.236 -3.320 0.877 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.241 -4.746 1.093 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.025 -6.192 0.895 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.791 -5.245 -0.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.075 -5.197 1.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.499 -3.642 1.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.757 -4.559 2.528 1.00 0.00 H new ATOM 448 N CYS A 30 1.996 -4.154 -2.066 1.00 0.00 N ATOM 449 CA CYS A 30 0.633 -4.403 -1.629 1.00 0.00 C ATOM 450 C CYS A 30 0.523 -4.016 -0.153 1.00 0.00 C ATOM 451 O CYS A 30 -0.564 -3.704 0.331 1.00 0.00 O ATOM 452 CB CYS A 30 0.218 -5.855 -1.871 1.00 0.00 C ATOM 453 SG CYS A 30 0.863 -6.591 -3.418 1.00 0.00 S ATOM 0 H CYS A 30 2.455 -4.951 -2.507 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.056 -3.795 -2.215 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.556 -6.460 -1.029 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.871 -5.909 -1.886 1.00 0.00 H new ATOM 0 HG CYS A 30 0.634 -7.871 -3.418 1.00 0.00 H new ATOM 458 N GLY A 31 1.663 -4.049 0.521 1.00 0.00 N ATOM 459 CA GLY A 31 1.709 -3.706 1.932 1.00 0.00 C ATOM 460 C GLY A 31 1.529 -2.200 2.136 1.00 0.00 C ATOM 461 O GLY A 31 1.464 -1.728 3.270 1.00 0.00 O ATOM 0 H GLY A 31 2.562 -4.308 0.116 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.927 -4.245 2.467 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.662 -4.023 2.356 1.00 0.00 H new ATOM 465 N ASP A 32 1.454 -1.489 1.021 1.00 0.00 N ATOM 466 CA ASP A 32 1.283 -0.046 1.064 1.00 0.00 C ATOM 467 C ASP A 32 -0.192 0.281 1.305 1.00 0.00 C ATOM 468 O ASP A 32 -0.513 1.292 1.928 1.00 0.00 O ATOM 469 CB ASP A 32 1.700 0.597 -0.260 1.00 0.00 C ATOM 470 CG ASP A 32 1.392 2.091 -0.378 1.00 0.00 C ATOM 471 OD1 ASP A 32 2.257 2.885 0.050 1.00 0.00 O ATOM 472 OD2 ASP A 32 0.298 2.406 -0.895 1.00 0.00 O ATOM 0 H ASP A 32 1.508 -1.885 0.082 1.00 0.00 H new ATOM 0 HA ASP A 32 1.908 0.344 1.867 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.771 0.450 -0.396 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.200 0.073 -1.075 1.00 0.00 H new ATOM 477 N CYS A 33 -1.049 -0.593 0.799 1.00 0.00 N ATOM 478 CA CYS A 33 -2.483 -0.409 0.951 1.00 0.00 C ATOM 479 C CYS A 33 -3.011 -1.505 1.880 1.00 0.00 C ATOM 480 O CYS A 33 -3.685 -1.222 2.868 1.00 0.00 O ATOM 481 CB CYS A 33 -3.200 -0.411 -0.400 1.00 0.00 C ATOM 482 SG CYS A 33 -3.423 1.306 -0.992 1.00 0.00 S ATOM 0 H CYS A 33 -0.779 -1.431 0.283 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.683 0.568 1.392 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.623 -0.983 -1.127 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.169 -0.901 -0.306 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.031 1.293 -2.141 1.00 0.00 H new ATOM 487 N HIS A 34 -2.684 -2.748 1.527 1.00 0.00 N ATOM 488 CA HIS A 34 -3.096 -3.922 2.289 1.00 0.00 C ATOM 489 C HIS A 34 -2.106 -4.169 3.442 1.00 0.00 C ATOM 490 O HIS A 34 -1.273 -5.069 3.366 1.00 0.00 O ATOM 491 CB HIS A 34 -3.255 -5.108 1.327 1.00 0.00 C ATOM 492 CG HIS A 34 -4.193 -4.914 0.158 1.00 0.00 C ATOM 493 ND1 HIS A 34 -5.521 -5.001 0.278 1.00 0.00 N ATOM 494 CD2 HIS A 34 -3.947 -4.634 -1.165 1.00 0.00 C ATOM 495 CE1 HIS A 34 -6.081 -4.783 -0.922 1.00 0.00 C ATOM 496 NE2 HIS A 34 -5.153 -4.551 -1.849 1.00 0.00 N ATOM 0 H HIS A 34 -2.125 -2.967 0.703 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.067 -3.771 2.761 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.270 -5.362 0.934 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.600 -5.968 1.901 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.969 -4.500 -1.604 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.144 -4.794 -1.111 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -5.296 -4.356 -2.840 1.00 0.00 H new ATOM 504 N HIS A 35 -2.231 -3.350 4.487 1.00 0.00 N ATOM 505 CA HIS A 35 -1.380 -3.438 5.668 1.00 0.00 C ATOM 506 C HIS A 35 -1.781 -4.665 6.508 1.00 0.00 C ATOM 507 O HIS A 35 -2.891 -5.181 6.409 1.00 0.00 O ATOM 508 CB HIS A 35 -1.442 -2.105 6.427 1.00 0.00 C ATOM 509 CG HIS A 35 -2.700 -1.833 7.220 1.00 0.00 C ATOM 510 ND1 HIS A 35 -3.046 -2.557 8.289 1.00 0.00 N ATOM 511 CD2 HIS A 35 -3.684 -0.887 7.063 1.00 0.00 C ATOM 512 CE1 HIS A 35 -4.202 -2.081 8.778 1.00 0.00 C ATOM 513 NE2 HIS A 35 -4.640 -1.050 8.059 1.00 0.00 N ATOM 0 H HIS A 35 -2.927 -2.606 4.536 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.336 -3.594 5.396 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.593 -2.063 7.110 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.312 -1.297 5.707 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -2.518 -3.342 8.671 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.711 -0.135 6.288 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.710 -2.482 9.642 1.00 0.00 H new ATOM 521 N PRO A 36 -0.842 -5.117 7.342 1.00 0.00 N ATOM 522 CA PRO A 36 -1.011 -6.254 8.222 1.00 0.00 C ATOM 523 C PRO A 36 -2.084 -5.944 9.256 1.00 0.00 C ATOM 524 O PRO A 36 -2.063 -4.853 9.824 1.00 0.00 O ATOM 525 CB PRO A 36 0.351 -6.441 8.887 1.00 0.00 C ATOM 526 CG PRO A 36 1.335 -5.643 8.086 1.00 0.00 C ATOM 527 CD PRO A 36 0.475 -4.534 7.484 1.00 0.00 C ATOM 0 HA PRO A 36 -1.327 -7.155 7.695 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.327 -6.099 9.922 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.631 -7.494 8.906 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.132 -5.240 8.712 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.811 -6.248 7.314 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.451 -3.658 8.132 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.868 -4.208 6.521 1.00 0.00 H new ATOM 535 N VAL A 37 -2.987 -6.888 9.476 1.00 0.00 N ATOM 536 CA VAL A 37 -4.055 -6.691 10.441 1.00 0.00 C ATOM 537 C VAL A 37 -4.170 -7.933 11.328 1.00 0.00 C ATOM 538 O VAL A 37 -3.739 -7.919 12.480 1.00 0.00 O ATOM 539 CB VAL A 37 -5.359 -6.352 9.717 1.00 0.00 C ATOM 540 CG1 VAL A 37 -6.376 -5.733 10.679 1.00 0.00 C ATOM 541 CG2 VAL A 37 -5.100 -5.428 8.525 1.00 0.00 C ATOM 0 H VAL A 37 -3.001 -7.791 9.003 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.831 -5.846 11.091 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.781 -7.282 9.335 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.294 -5.502 10.139 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.595 -6.439 11.480 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.964 -4.817 11.104 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.043 -5.202 8.028 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.644 -4.502 8.875 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.428 -5.921 7.822 1.00 0.00 H new ATOM 551 N ASN A 38 -4.752 -8.977 10.757 1.00 0.00 N ATOM 552 CA ASN A 38 -4.929 -10.224 11.482 1.00 0.00 C ATOM 553 C ASN A 38 -3.622 -11.018 11.447 1.00 0.00 C ATOM 554 O ASN A 38 -3.561 -12.095 10.856 1.00 0.00 O ATOM 555 CB ASN A 38 -6.021 -11.083 10.842 1.00 0.00 C ATOM 556 CG ASN A 38 -7.367 -10.864 11.535 1.00 0.00 C ATOM 557 OD1 ASN A 38 -8.107 -11.792 11.818 1.00 0.00 O ATOM 558 ND2 ASN A 38 -7.643 -9.589 11.791 1.00 0.00 N ATOM 0 H ASN A 38 -5.107 -8.985 9.801 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.215 -9.982 12.506 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.109 -10.837 9.784 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.743 -12.135 10.903 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.518 -9.339 12.251 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.979 -8.861 11.528 1.00 0.00 H new ATOM 565 N GLY A 39 -2.607 -10.456 12.088 1.00 0.00 N ATOM 566 CA GLY A 39 -1.305 -11.098 12.138 1.00 0.00 C ATOM 567 C GLY A 39 -0.923 -11.670 10.771 1.00 0.00 C ATOM 568 O GLY A 39 -0.197 -12.660 10.689 1.00 0.00 O ATOM 0 H GLY A 39 -2.661 -9.563 12.577 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.552 -10.377 12.458 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.318 -11.897 12.880 1.00 0.00 H new ATOM 572 N LYS A 40 -1.428 -11.021 9.732 1.00 0.00 N ATOM 573 CA LYS A 40 -1.148 -11.452 8.373 1.00 0.00 C ATOM 574 C LYS A 40 -1.795 -10.474 7.389 1.00 0.00 C ATOM 575 O LYS A 40 -2.954 -10.096 7.556 1.00 0.00 O ATOM 576 CB LYS A 40 -1.583 -12.905 8.171 1.00 0.00 C ATOM 577 CG LYS A 40 -3.006 -12.980 7.616 1.00 0.00 C ATOM 578 CD LYS A 40 -3.672 -14.305 7.991 1.00 0.00 C ATOM 579 CE LYS A 40 -3.151 -15.447 7.118 1.00 0.00 C ATOM 580 NZ LYS A 40 -2.045 -16.157 7.799 1.00 0.00 N ATOM 0 H LYS A 40 -2.029 -10.200 9.804 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.075 -11.435 8.182 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.895 -13.402 7.487 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.530 -13.439 9.120 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.596 -12.150 8.005 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.983 -12.875 6.531 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.480 -14.528 9.041 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.752 -14.218 7.876 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.960 -16.145 6.901 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.805 -15.053 6.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.277 -16.335 7.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.687 -15.573 8.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.393 -17.063 8.174 1.00 0.00 H new ATOM 594 N GLU A 41 -1.019 -10.094 6.386 1.00 0.00 N ATOM 595 CA GLU A 41 -1.501 -9.167 5.376 1.00 0.00 C ATOM 596 C GLU A 41 -2.976 -9.436 5.071 1.00 0.00 C ATOM 597 O GLU A 41 -3.329 -10.513 4.591 1.00 0.00 O ATOM 598 CB GLU A 41 -0.654 -9.252 4.105 1.00 0.00 C ATOM 599 CG GLU A 41 0.604 -8.390 4.226 1.00 0.00 C ATOM 600 CD GLU A 41 1.628 -8.760 3.150 1.00 0.00 C ATOM 601 OE1 GLU A 41 2.183 -9.875 3.255 1.00 0.00 O ATOM 602 OE2 GLU A 41 1.832 -7.919 2.249 1.00 0.00 O ATOM 0 H GLU A 41 -0.059 -10.411 6.250 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.409 -8.154 5.767 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.372 -10.289 3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.243 -8.924 3.249 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.338 -7.337 4.133 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.046 -8.521 5.214 1.00 0.00 H new ATOM 609 N ASP A 42 -3.799 -8.439 5.361 1.00 0.00 N ATOM 610 CA ASP A 42 -5.228 -8.554 5.124 1.00 0.00 C ATOM 611 C ASP A 42 -5.575 -7.884 3.793 1.00 0.00 C ATOM 612 O ASP A 42 -4.962 -6.905 3.375 1.00 0.00 O ATOM 613 CB ASP A 42 -6.028 -7.858 6.227 1.00 0.00 C ATOM 614 CG ASP A 42 -6.628 -8.793 7.279 1.00 0.00 C ATOM 615 OD1 ASP A 42 -5.829 -9.484 7.947 1.00 0.00 O ATOM 616 OD2 ASP A 42 -7.873 -8.796 7.391 1.00 0.00 O ATOM 0 H ASP A 42 -3.503 -7.547 5.758 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.483 -9.614 5.109 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.378 -7.141 6.729 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.835 -7.289 5.766 1.00 0.00 H new ATOM 621 N TYR A 43 -6.589 -8.442 3.128 1.00 0.00 N ATOM 622 CA TYR A 43 -7.040 -7.927 1.851 1.00 0.00 C ATOM 623 C TYR A 43 -8.546 -7.712 1.883 1.00 0.00 C ATOM 624 O TYR A 43 -9.164 -7.672 0.821 1.00 0.00 O ATOM 625 CB TYR A 43 -6.657 -8.906 0.745 1.00 0.00 C ATOM 626 CG TYR A 43 -5.230 -8.755 0.273 1.00 0.00 C ATOM 627 CD1 TYR A 43 -4.173 -8.945 1.171 1.00 0.00 C ATOM 628 CD2 TYR A 43 -4.965 -8.426 -1.061 1.00 0.00 C ATOM 629 CE1 TYR A 43 -2.850 -8.805 0.734 1.00 0.00 C ATOM 630 CE2 TYR A 43 -3.642 -8.286 -1.498 1.00 0.00 C ATOM 631 CZ TYR A 43 -2.585 -8.476 -0.600 1.00 0.00 C ATOM 632 OH TYR A 43 -1.296 -8.339 -1.026 1.00 0.00 O ATOM 0 H TYR A 43 -7.109 -9.253 3.462 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.561 -6.968 1.652 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.806 -9.924 1.104 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -7.328 -8.765 -0.102 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.378 -9.199 2.200 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.781 -8.280 -1.754 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.034 -8.951 1.427 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.437 -8.032 -2.527 1.00 0.00 H new ATOM 0 HH TYR A 43 -1.289 -8.110 -1.979 1.00 0.00 H new ATOM 642 N ARG A 44 -9.101 -7.579 3.079 1.00 0.00 N ATOM 643 CA ARG A 44 -10.531 -7.369 3.222 1.00 0.00 C ATOM 644 C ARG A 44 -10.866 -5.882 3.087 1.00 0.00 C ATOM 645 O ARG A 44 -9.983 -5.032 3.192 1.00 0.00 O ATOM 646 CB ARG A 44 -11.030 -7.877 4.576 1.00 0.00 C ATOM 647 CG ARG A 44 -10.097 -8.952 5.136 1.00 0.00 C ATOM 648 CD ARG A 44 -10.838 -9.864 6.116 1.00 0.00 C ATOM 649 NE ARG A 44 -9.870 -10.548 7.002 1.00 0.00 N ATOM 650 CZ ARG A 44 -10.182 -11.061 8.212 1.00 0.00 C ATOM 651 NH1 ARG A 44 -11.441 -10.972 8.689 1.00 0.00 N ATOM 652 NH2 ARG A 44 -9.236 -11.651 8.920 1.00 0.00 N ATOM 0 H ARG A 44 -8.585 -7.613 3.958 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.029 -7.930 2.431 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.096 -7.046 5.278 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.036 -8.284 4.468 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -9.689 -9.546 4.318 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -9.253 -8.480 5.640 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -11.538 -9.279 6.712 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.425 -10.601 5.567 1.00 0.00 H new ATOM 0 HE ARG A 44 -8.907 -10.638 6.679 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.165 -10.515 8.135 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.669 -11.362 9.604 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.287 -11.714 8.551 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.454 -12.044 9.836 1.00 0.00 H new ATOM 665 N LYS A 45 -12.143 -5.614 2.858 1.00 0.00 N ATOM 666 CA LYS A 45 -12.605 -4.245 2.709 1.00 0.00 C ATOM 667 C LYS A 45 -11.884 -3.354 3.723 1.00 0.00 C ATOM 668 O LYS A 45 -11.783 -3.702 4.898 1.00 0.00 O ATOM 669 CB LYS A 45 -14.130 -4.180 2.808 1.00 0.00 C ATOM 670 CG LYS A 45 -14.782 -5.290 1.981 1.00 0.00 C ATOM 671 CD LYS A 45 -16.167 -4.867 1.490 1.00 0.00 C ATOM 672 CE LYS A 45 -16.487 -5.503 0.136 1.00 0.00 C ATOM 673 NZ LYS A 45 -16.426 -4.489 -0.941 1.00 0.00 N ATOM 0 H LYS A 45 -12.872 -6.322 2.772 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.357 -3.865 1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.434 -4.272 3.851 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.479 -3.208 2.459 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.148 -5.533 1.128 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.866 -6.195 2.583 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.921 -5.160 2.221 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.211 -3.781 1.405 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.779 -6.306 -0.072 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.480 -5.953 0.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.646 -4.938 -1.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.118 -3.737 -0.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.471 -4.079 -0.978 1.00 0.00 H new ATOM 687 N CYS A 46 -11.403 -2.222 3.231 1.00 0.00 N ATOM 688 CA CYS A 46 -10.694 -1.279 4.080 1.00 0.00 C ATOM 689 C CYS A 46 -11.521 -1.059 5.348 1.00 0.00 C ATOM 690 O CYS A 46 -10.981 -1.057 6.453 1.00 0.00 O ATOM 691 CB CYS A 46 -10.409 0.035 3.350 1.00 0.00 C ATOM 692 SG CYS A 46 -8.976 -0.015 2.212 1.00 0.00 S ATOM 0 H CYS A 46 -11.490 -1.936 2.256 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.720 -1.688 4.349 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -11.296 0.319 2.783 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.240 0.817 4.091 1.00 0.00 H new ATOM 0 HG CYS A 46 -8.829 1.147 1.648 1.00 0.00 H new ATOM 697 N GLY A 47 -12.818 -0.880 5.147 1.00 0.00 N ATOM 698 CA GLY A 47 -13.725 -0.660 6.261 1.00 0.00 C ATOM 699 C GLY A 47 -14.134 -1.986 6.905 1.00 0.00 C ATOM 700 O GLY A 47 -13.436 -2.497 7.780 1.00 0.00 O ATOM 0 H GLY A 47 -13.263 -0.883 4.229 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.246 -0.023 7.004 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.613 -0.132 5.913 1.00 0.00 H new ATOM 704 N THR A 48 -15.263 -2.507 6.448 1.00 0.00 N ATOM 705 CA THR A 48 -15.773 -3.763 6.969 1.00 0.00 C ATOM 706 C THR A 48 -15.920 -3.690 8.490 1.00 0.00 C ATOM 707 O THR A 48 -15.173 -2.974 9.156 1.00 0.00 O ATOM 708 CB THR A 48 -14.840 -4.882 6.502 1.00 0.00 C ATOM 709 OG1 THR A 48 -15.649 -5.666 5.628 1.00 0.00 O ATOM 710 CG2 THR A 48 -14.470 -5.846 7.631 1.00 0.00 C ATOM 0 H THR A 48 -15.839 -2.081 5.722 1.00 0.00 H new ATOM 0 HA THR A 48 -16.772 -3.972 6.587 1.00 0.00 H new ATOM 0 HB THR A 48 -13.932 -4.447 6.084 1.00 0.00 H new ATOM 0 HG1 THR A 48 -15.122 -6.414 5.277 1.00 0.00 H new ATOM 0 HG21 THR A 48 -13.807 -6.620 7.246 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.965 -5.298 8.426 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.375 -6.307 8.027 1.00 0.00 H new ATOM 718 N ALA A 49 -16.887 -4.440 8.997 1.00 0.00 N ATOM 719 CA ALA A 49 -17.141 -4.469 10.427 1.00 0.00 C ATOM 720 C ALA A 49 -15.963 -5.140 11.136 1.00 0.00 C ATOM 721 O ALA A 49 -15.645 -6.296 10.861 1.00 0.00 O ATOM 722 CB ALA A 49 -18.467 -5.184 10.696 1.00 0.00 C ATOM 0 H ALA A 49 -17.505 -5.033 8.442 1.00 0.00 H new ATOM 0 HA ALA A 49 -17.231 -3.457 10.821 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.658 -5.206 11.769 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.275 -4.652 10.195 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.414 -6.204 10.316 1.00 0.00 H new ATOM 728 N GLY A 50 -15.347 -4.386 12.034 1.00 0.00 N ATOM 729 CA GLY A 50 -14.211 -4.893 12.785 1.00 0.00 C ATOM 730 C GLY A 50 -12.970 -4.028 12.553 1.00 0.00 C ATOM 731 O GLY A 50 -11.943 -4.223 13.201 1.00 0.00 O ATOM 0 H GLY A 50 -15.613 -3.427 12.259 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.452 -4.912 13.848 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.003 -5.921 12.487 1.00 0.00 H new ATOM 735 N CYS A 51 -13.107 -3.091 11.627 1.00 0.00 N ATOM 736 CA CYS A 51 -12.010 -2.195 11.301 1.00 0.00 C ATOM 737 C CYS A 51 -12.576 -0.785 11.125 1.00 0.00 C ATOM 738 O CYS A 51 -13.449 -0.358 11.878 1.00 0.00 O ATOM 739 CB CYS A 51 -11.247 -2.663 10.059 1.00 0.00 C ATOM 740 SG CYS A 51 -11.056 -4.483 10.091 1.00 0.00 S ATOM 0 H CYS A 51 -13.961 -2.932 11.092 1.00 0.00 H new ATOM 0 HA CYS A 51 -11.284 -2.195 12.114 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -11.782 -2.361 9.158 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -10.267 -2.187 10.023 1.00 0.00 H new ATOM 0 HG CYS A 51 -10.409 -4.870 9.032 1.00 0.00 H new ATOM 745 N HIS A 52 -12.054 -0.089 10.115 1.00 0.00 N ATOM 746 CA HIS A 52 -12.468 1.271 9.792 1.00 0.00 C ATOM 747 C HIS A 52 -13.966 1.288 9.437 1.00 0.00 C ATOM 748 O HIS A 52 -14.322 1.398 8.265 1.00 0.00 O ATOM 749 CB HIS A 52 -11.551 1.822 8.691 1.00 0.00 C ATOM 750 CG HIS A 52 -10.064 1.635 8.887 1.00 0.00 C ATOM 751 ND1 HIS A 52 -9.344 2.406 9.708 1.00 0.00 N ATOM 752 CD2 HIS A 52 -9.184 0.734 8.338 1.00 0.00 C ATOM 753 CE1 HIS A 52 -8.065 2.001 9.672 1.00 0.00 C ATOM 754 NE2 HIS A 52 -7.910 0.971 8.842 1.00 0.00 N ATOM 0 H HIS A 52 -11.330 -0.456 9.498 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.360 1.935 10.649 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -11.831 1.352 7.748 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -11.749 2.889 8.586 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.707 3.176 10.270 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.441 -0.037 7.627 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.266 2.452 10.242 1.00 0.00 H new ATOM 762 N ASP A 53 -14.794 1.181 10.466 1.00 0.00 N ATOM 763 CA ASP A 53 -16.234 1.184 10.271 1.00 0.00 C ATOM 764 C ASP A 53 -16.814 2.492 10.813 1.00 0.00 C ATOM 765 O ASP A 53 -17.986 2.549 11.182 1.00 0.00 O ATOM 766 CB ASP A 53 -16.894 0.026 11.022 1.00 0.00 C ATOM 767 CG ASP A 53 -17.146 0.281 12.510 1.00 0.00 C ATOM 768 OD1 ASP A 53 -16.150 0.258 13.266 1.00 0.00 O ATOM 769 OD2 ASP A 53 -18.327 0.492 12.858 1.00 0.00 O ATOM 0 H ASP A 53 -14.495 1.092 11.437 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.431 1.080 9.204 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -17.845 -0.204 10.542 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.265 -0.858 10.922 1.00 0.00 H new ATOM 774 N SER A 54 -15.967 3.510 10.844 1.00 0.00 N ATOM 775 CA SER A 54 -16.382 4.814 11.334 1.00 0.00 C ATOM 776 C SER A 54 -16.608 5.768 10.160 1.00 0.00 C ATOM 777 O SER A 54 -15.701 6.002 9.362 1.00 0.00 O ATOM 778 CB SER A 54 -15.344 5.394 12.298 1.00 0.00 C ATOM 779 OG SER A 54 -15.783 6.619 12.880 1.00 0.00 O ATOM 0 H SER A 54 -14.995 3.459 10.538 1.00 0.00 H new ATOM 0 HA SER A 54 -17.318 4.693 11.879 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.138 4.671 13.087 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.408 5.560 11.766 1.00 0.00 H new ATOM 0 HG SER A 54 -15.094 6.957 13.490 1.00 0.00 H new ATOM 785 N MET A 55 -17.822 6.292 10.090 1.00 0.00 N ATOM 786 CA MET A 55 -18.179 7.215 9.026 1.00 0.00 C ATOM 787 C MET A 55 -18.885 8.452 9.587 1.00 0.00 C ATOM 788 O MET A 55 -20.021 8.743 9.218 1.00 0.00 O ATOM 789 CB MET A 55 -19.099 6.512 8.026 1.00 0.00 C ATOM 790 CG MET A 55 -18.527 5.152 7.619 1.00 0.00 C ATOM 791 SD MET A 55 -18.309 5.088 5.848 1.00 0.00 S ATOM 792 CE MET A 55 -18.135 3.326 5.622 1.00 0.00 C ATOM 0 H MET A 55 -18.572 6.095 10.753 1.00 0.00 H new ATOM 0 HA MET A 55 -17.264 7.536 8.528 1.00 0.00 H new ATOM 0 HB2 MET A 55 -20.087 6.378 8.467 1.00 0.00 H new ATOM 0 HB3 MET A 55 -19.226 7.137 7.142 1.00 0.00 H new ATOM 0 HG2 MET A 55 -17.572 4.986 8.118 1.00 0.00 H new ATOM 0 HG3 MET A 55 -19.198 4.355 7.940 1.00 0.00 H new ATOM 0 HE1 MET A 55 -17.990 3.107 4.564 1.00 0.00 H new ATOM 0 HE2 MET A 55 -17.274 2.970 6.188 1.00 0.00 H new ATOM 0 HE3 MET A 55 -19.035 2.823 5.976 1.00 0.00 H new ATOM 802 N ASP A 56 -18.182 9.146 10.470 1.00 0.00 N ATOM 803 CA ASP A 56 -18.727 10.344 11.085 1.00 0.00 C ATOM 804 C ASP A 56 -17.802 11.528 10.792 1.00 0.00 C ATOM 805 O ASP A 56 -16.910 11.430 9.952 1.00 0.00 O ATOM 806 CB ASP A 56 -18.827 10.187 12.603 1.00 0.00 C ATOM 807 CG ASP A 56 -20.006 10.915 13.252 1.00 0.00 C ATOM 808 OD1 ASP A 56 -20.803 11.500 12.487 1.00 0.00 O ATOM 809 OD2 ASP A 56 -20.083 10.871 14.499 1.00 0.00 O ATOM 0 H ASP A 56 -17.240 8.901 10.774 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.722 10.512 10.674 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.900 9.125 12.839 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -17.903 10.551 13.052 1.00 0.00 H new ATOM 814 N LYS A 57 -18.049 12.619 11.502 1.00 0.00 N ATOM 815 CA LYS A 57 -17.250 13.821 11.330 1.00 0.00 C ATOM 816 C LYS A 57 -16.785 14.320 12.699 1.00 0.00 C ATOM 817 O LYS A 57 -17.477 15.106 13.344 1.00 0.00 O ATOM 818 CB LYS A 57 -18.022 14.866 10.523 1.00 0.00 C ATOM 819 CG LYS A 57 -17.143 15.472 9.427 1.00 0.00 C ATOM 820 CD LYS A 57 -15.711 15.678 9.923 1.00 0.00 C ATOM 821 CE LYS A 57 -14.768 14.631 9.326 1.00 0.00 C ATOM 822 NZ LYS A 57 -13.625 15.288 8.652 1.00 0.00 N ATOM 0 H LYS A 57 -18.791 12.696 12.198 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.353 13.603 10.750 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -18.903 14.406 10.075 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -18.377 15.654 11.187 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.139 14.817 8.556 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -17.561 16.426 9.107 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.369 16.677 9.653 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.687 15.616 11.011 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.403 13.971 10.113 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.310 14.009 8.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.995 14.564 8.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.977 15.900 7.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.099 15.862 9.341 1.00 0.00 H new ATOM 836 N LYS A 58 -15.616 13.844 13.102 1.00 0.00 N ATOM 837 CA LYS A 58 -15.051 14.233 14.382 1.00 0.00 C ATOM 838 C LYS A 58 -13.826 13.365 14.679 1.00 0.00 C ATOM 839 O LYS A 58 -12.694 13.774 14.423 1.00 0.00 O ATOM 840 CB LYS A 58 -16.119 14.183 15.477 1.00 0.00 C ATOM 841 CG LYS A 58 -16.446 15.588 15.988 1.00 0.00 C ATOM 842 CD LYS A 58 -17.155 15.527 17.342 1.00 0.00 C ATOM 843 CE LYS A 58 -16.815 16.752 18.194 1.00 0.00 C ATOM 844 NZ LYS A 58 -17.381 16.610 19.554 1.00 0.00 N ATOM 0 H LYS A 58 -15.045 13.192 12.564 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.709 15.268 14.348 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -17.023 13.714 15.088 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -15.769 13.564 16.303 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.528 16.168 16.080 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -17.078 16.104 15.265 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -18.233 15.473 17.190 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.862 14.620 17.870 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.733 16.872 18.254 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.209 17.652 17.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.141 17.449 20.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -18.415 16.518 19.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.985 15.762 20.008 1.00 0.00 H new ATOM 858 N ASP A 59 -14.094 12.183 15.215 1.00 0.00 N ATOM 859 CA ASP A 59 -13.027 11.254 15.549 1.00 0.00 C ATOM 860 C ASP A 59 -12.293 10.846 14.270 1.00 0.00 C ATOM 861 O ASP A 59 -12.916 10.401 13.308 1.00 0.00 O ATOM 862 CB ASP A 59 -13.585 9.987 16.199 1.00 0.00 C ATOM 863 CG ASP A 59 -12.633 8.789 16.202 1.00 0.00 C ATOM 864 OD1 ASP A 59 -11.411 9.035 16.111 1.00 0.00 O ATOM 865 OD2 ASP A 59 -13.149 7.654 16.295 1.00 0.00 O ATOM 0 H ASP A 59 -15.034 11.847 15.426 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.353 11.751 16.247 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.860 10.216 17.229 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.500 9.703 15.680 1.00 0.00 H new ATOM 870 N LYS A 60 -10.979 11.012 14.302 1.00 0.00 N ATOM 871 CA LYS A 60 -10.153 10.667 13.157 1.00 0.00 C ATOM 872 C LYS A 60 -9.107 9.634 13.582 1.00 0.00 C ATOM 873 O LYS A 60 -7.990 9.629 13.066 1.00 0.00 O ATOM 874 CB LYS A 60 -9.555 11.926 12.528 1.00 0.00 C ATOM 875 CG LYS A 60 -8.757 12.728 13.559 1.00 0.00 C ATOM 876 CD LYS A 60 -8.099 13.949 12.914 1.00 0.00 C ATOM 877 CE LYS A 60 -8.017 15.114 13.902 1.00 0.00 C ATOM 878 NZ LYS A 60 -9.271 15.900 13.880 1.00 0.00 N ATOM 0 H LYS A 60 -10.466 11.381 15.103 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.758 10.206 12.376 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.907 11.649 11.697 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.352 12.546 12.118 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.417 13.049 14.365 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.993 12.093 14.007 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.098 13.688 12.570 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.669 14.252 12.036 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.836 14.734 14.908 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.174 15.756 13.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.199 16.687 14.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.427 16.278 12.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.069 15.288 14.145 1.00 0.00 H new ATOM 892 N SER A 61 -9.505 8.785 14.517 1.00 0.00 N ATOM 893 CA SER A 61 -8.616 7.751 15.018 1.00 0.00 C ATOM 894 C SER A 61 -8.327 6.731 13.915 1.00 0.00 C ATOM 895 O SER A 61 -8.634 6.969 12.748 1.00 0.00 O ATOM 896 CB SER A 61 -9.213 7.056 16.242 1.00 0.00 C ATOM 897 OG SER A 61 -8.323 6.090 16.796 1.00 0.00 O ATOM 0 H SER A 61 -10.432 8.792 14.941 1.00 0.00 H new ATOM 0 HA SER A 61 -7.681 8.222 15.323 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.456 7.801 16.999 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.147 6.569 15.963 1.00 0.00 H new ATOM 0 HG SER A 61 -8.741 5.670 17.577 1.00 0.00 H new ATOM 903 N ALA A 62 -7.741 5.615 14.324 1.00 0.00 N ATOM 904 CA ALA A 62 -7.408 4.557 13.386 1.00 0.00 C ATOM 905 C ALA A 62 -8.695 3.883 12.906 1.00 0.00 C ATOM 906 O ALA A 62 -8.663 3.047 12.004 1.00 0.00 O ATOM 907 CB ALA A 62 -6.445 3.570 14.049 1.00 0.00 C ATOM 0 H ALA A 62 -7.488 5.421 15.293 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.903 4.966 12.510 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.195 2.776 13.345 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.535 4.092 14.344 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.918 3.137 14.931 1.00 0.00 H new ATOM 913 N LYS A 63 -9.797 4.271 13.531 1.00 0.00 N ATOM 914 CA LYS A 63 -11.092 3.715 13.179 1.00 0.00 C ATOM 915 C LYS A 63 -11.738 4.581 12.096 1.00 0.00 C ATOM 916 O LYS A 63 -12.723 4.178 11.479 1.00 0.00 O ATOM 917 CB LYS A 63 -11.959 3.544 14.429 1.00 0.00 C ATOM 918 CG LYS A 63 -11.510 2.331 15.246 1.00 0.00 C ATOM 919 CD LYS A 63 -11.300 2.707 16.714 1.00 0.00 C ATOM 920 CE LYS A 63 -12.638 2.958 17.413 1.00 0.00 C ATOM 921 NZ LYS A 63 -12.454 3.012 18.880 1.00 0.00 N ATOM 0 H LYS A 63 -9.819 4.964 14.279 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.976 2.715 12.760 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.899 4.443 15.043 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.003 3.425 14.138 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.258 1.541 15.172 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.584 1.932 14.833 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.763 1.907 17.225 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.679 3.600 16.779 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.069 3.895 17.060 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.343 2.166 17.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.371 3.183 19.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.063 2.108 19.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.798 3.783 19.119 1.00 0.00 H new ATOM 935 N GLY A 64 -11.158 5.756 11.899 1.00 0.00 N ATOM 936 CA GLY A 64 -11.664 6.683 10.901 1.00 0.00 C ATOM 937 C GLY A 64 -11.445 6.140 9.487 1.00 0.00 C ATOM 938 O GLY A 64 -10.327 5.857 9.062 1.00 0.00 O ATOM 0 H GLY A 64 -10.342 6.087 12.414 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.727 6.857 11.067 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.163 7.645 11.006 1.00 0.00 H new ATOM 942 N TYR A 65 -12.555 6.000 8.759 1.00 0.00 N ATOM 943 CA TYR A 65 -12.517 5.497 7.400 1.00 0.00 C ATOM 944 C TYR A 65 -11.894 6.537 6.481 1.00 0.00 C ATOM 945 O TYR A 65 -11.002 6.222 5.696 1.00 0.00 O ATOM 946 CB TYR A 65 -13.934 5.154 6.947 1.00 0.00 C ATOM 947 CG TYR A 65 -13.980 4.351 5.669 1.00 0.00 C ATOM 948 CD1 TYR A 65 -12.953 3.447 5.373 1.00 0.00 C ATOM 949 CD2 TYR A 65 -15.050 4.511 4.781 1.00 0.00 C ATOM 950 CE1 TYR A 65 -12.995 2.702 4.188 1.00 0.00 C ATOM 951 CE2 TYR A 65 -15.093 3.766 3.596 1.00 0.00 C ATOM 952 CZ TYR A 65 -14.066 2.862 3.300 1.00 0.00 C ATOM 953 OH TYR A 65 -14.108 2.136 2.146 1.00 0.00 O ATOM 0 H TYR A 65 -13.490 6.231 9.096 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.907 4.595 7.359 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -14.434 4.594 7.737 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.496 6.078 6.807 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.128 3.324 6.059 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.842 5.209 5.010 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -12.202 2.005 3.959 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -15.918 3.889 2.911 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.918 2.366 1.644 1.00 0.00 H new ATOM 963 N TYR A 66 -12.366 7.782 6.581 1.00 0.00 N ATOM 964 CA TYR A 66 -11.854 8.860 5.759 1.00 0.00 C ATOM 965 C TYR A 66 -10.556 9.390 6.351 1.00 0.00 C ATOM 966 O TYR A 66 -9.970 10.305 5.775 1.00 0.00 O ATOM 967 CB TYR A 66 -12.899 9.968 5.668 1.00 0.00 C ATOM 968 CG TYR A 66 -12.320 11.315 5.306 1.00 0.00 C ATOM 969 CD1 TYR A 66 -11.665 12.080 6.279 1.00 0.00 C ATOM 970 CD2 TYR A 66 -12.437 11.799 3.998 1.00 0.00 C ATOM 971 CE1 TYR A 66 -11.128 13.329 5.944 1.00 0.00 C ATOM 972 CE2 TYR A 66 -11.900 13.048 3.663 1.00 0.00 C ATOM 973 CZ TYR A 66 -11.246 13.813 4.636 1.00 0.00 C ATOM 974 OH TYR A 66 -10.723 15.030 4.309 1.00 0.00 O ATOM 0 H TYR A 66 -13.104 8.060 7.228 1.00 0.00 H new ATOM 0 HA TYR A 66 -11.646 8.490 4.755 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -13.646 9.691 4.925 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -13.415 10.049 6.624 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -11.574 11.706 7.288 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -12.941 11.209 3.247 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.623 13.919 6.695 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -11.990 13.421 2.654 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.891 15.214 3.361 1.00 0.00 H new ATOM 984 N HIS A 67 -10.138 8.817 7.470 1.00 0.00 N ATOM 985 CA HIS A 67 -8.910 9.248 8.117 1.00 0.00 C ATOM 986 C HIS A 67 -7.774 8.291 7.749 1.00 0.00 C ATOM 987 O HIS A 67 -6.613 8.552 8.062 1.00 0.00 O ATOM 988 CB HIS A 67 -9.109 9.378 9.628 1.00 0.00 C ATOM 989 CG HIS A 67 -7.833 9.266 10.428 1.00 0.00 C ATOM 990 ND1 HIS A 67 -7.068 10.365 10.778 1.00 0.00 N ATOM 991 CD2 HIS A 67 -7.197 8.175 10.943 1.00 0.00 C ATOM 992 CE1 HIS A 67 -6.021 9.943 11.471 1.00 0.00 C ATOM 993 NE2 HIS A 67 -6.102 8.585 11.571 1.00 0.00 N ATOM 0 H HIS A 67 -10.627 8.058 7.945 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.634 10.240 7.759 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.576 10.340 9.841 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.803 8.606 9.960 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -7.275 11.335 10.542 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.528 7.151 10.855 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -5.241 10.565 11.884 1.00 0.00 H new ATOM 1001 N VAL A 68 -8.148 7.204 7.091 1.00 0.00 N ATOM 1002 CA VAL A 68 -7.174 6.208 6.677 1.00 0.00 C ATOM 1003 C VAL A 68 -7.049 6.226 5.152 1.00 0.00 C ATOM 1004 O VAL A 68 -6.544 5.276 4.556 1.00 0.00 O ATOM 1005 CB VAL A 68 -7.564 4.835 7.229 1.00 0.00 C ATOM 1006 CG1 VAL A 68 -7.467 4.811 8.756 1.00 0.00 C ATOM 1007 CG2 VAL A 68 -8.965 4.434 6.761 1.00 0.00 C ATOM 0 H VAL A 68 -9.112 6.991 6.834 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.191 6.441 7.086 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.858 4.103 6.837 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.749 3.824 9.123 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.444 5.032 9.059 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.139 5.560 9.175 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.218 3.455 7.167 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.690 5.170 7.110 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.987 4.392 5.672 1.00 0.00 H new ATOM 1017 N MET A 69 -7.518 7.317 4.565 1.00 0.00 N ATOM 1018 CA MET A 69 -7.465 7.470 3.121 1.00 0.00 C ATOM 1019 C MET A 69 -7.407 8.948 2.728 1.00 0.00 C ATOM 1020 O MET A 69 -7.812 9.325 1.631 1.00 0.00 O ATOM 1021 CB MET A 69 -8.701 6.823 2.493 1.00 0.00 C ATOM 1022 CG MET A 69 -9.741 6.477 3.560 1.00 0.00 C ATOM 1023 SD MET A 69 -10.999 5.417 2.867 1.00 0.00 S ATOM 1024 CE MET A 69 -10.406 3.828 3.424 1.00 0.00 C ATOM 0 H MET A 69 -7.936 8.103 5.063 1.00 0.00 H new ATOM 0 HA MET A 69 -6.562 6.980 2.756 1.00 0.00 H new ATOM 0 HB2 MET A 69 -9.138 7.501 1.760 1.00 0.00 H new ATOM 0 HB3 MET A 69 -8.410 5.919 1.957 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.259 5.980 4.402 1.00 0.00 H new ATOM 0 HG3 MET A 69 -10.195 7.390 3.946 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.801 3.045 2.777 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.317 3.813 3.389 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.738 3.654 4.448 1.00 0.00 H new ATOM 1034 N HIS A 70 -6.894 9.758 3.656 1.00 0.00 N ATOM 1035 CA HIS A 70 -6.758 11.197 3.462 1.00 0.00 C ATOM 1036 C HIS A 70 -5.541 11.715 4.250 1.00 0.00 C ATOM 1037 O HIS A 70 -4.602 12.245 3.659 1.00 0.00 O ATOM 1038 CB HIS A 70 -8.085 11.876 3.831 1.00 0.00 C ATOM 1039 CG HIS A 70 -9.261 11.611 2.919 1.00 0.00 C ATOM 1040 ND1 HIS A 70 -10.041 10.534 3.044 1.00 0.00 N ATOM 1041 CD2 HIS A 70 -9.763 12.326 1.858 1.00 0.00 C ATOM 1042 CE1 HIS A 70 -10.993 10.575 2.098 1.00 0.00 C ATOM 1043 NE2 HIS A 70 -10.867 11.661 1.338 1.00 0.00 N ATOM 0 H HIS A 70 -6.562 9.431 4.563 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.561 11.442 2.418 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.359 11.563 4.838 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.918 12.953 3.866 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -9.931 9.800 3.744 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.363 13.258 1.487 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.760 9.826 1.970 1.00 0.00 H new ATOM 1051 N ASP A 71 -5.600 11.543 5.563 1.00 0.00 N ATOM 1052 CA ASP A 71 -4.518 11.985 6.425 1.00 0.00 C ATOM 1053 C ASP A 71 -3.193 11.430 5.899 1.00 0.00 C ATOM 1054 O ASP A 71 -3.172 10.691 4.915 1.00 0.00 O ATOM 1055 CB ASP A 71 -4.709 11.475 7.855 1.00 0.00 C ATOM 1056 CG ASP A 71 -5.324 12.486 8.825 1.00 0.00 C ATOM 1057 OD1 ASP A 71 -5.643 13.600 8.357 1.00 0.00 O ATOM 1058 OD2 ASP A 71 -5.462 12.122 10.013 1.00 0.00 O ATOM 0 H ASP A 71 -6.381 11.103 6.050 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.514 13.075 6.428 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.343 10.589 7.827 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.741 11.162 8.246 1.00 0.00 H new ATOM 1063 N LYS A 72 -2.119 11.806 6.577 1.00 0.00 N ATOM 1064 CA LYS A 72 -0.793 11.355 6.190 1.00 0.00 C ATOM 1065 C LYS A 72 -0.011 10.950 7.442 1.00 0.00 C ATOM 1066 O LYS A 72 0.619 9.895 7.470 1.00 0.00 O ATOM 1067 CB LYS A 72 -0.091 12.419 5.344 1.00 0.00 C ATOM 1068 CG LYS A 72 -0.205 13.800 5.994 1.00 0.00 C ATOM 1069 CD LYS A 72 0.154 14.905 4.999 1.00 0.00 C ATOM 1070 CE LYS A 72 0.902 16.045 5.693 1.00 0.00 C ATOM 1071 NZ LYS A 72 -0.004 16.782 6.603 1.00 0.00 N ATOM 0 H LYS A 72 -2.140 12.418 7.393 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.861 10.471 5.556 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.960 12.156 5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.531 12.445 4.347 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.221 13.951 6.360 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.457 13.855 6.858 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.771 14.494 4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.754 15.290 4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.745 15.645 6.256 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.311 16.727 4.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.520 17.552 7.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.795 17.180 6.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.374 16.132 7.326 1.00 0.00 H new ATOM 1085 N ASN A 73 -0.078 11.812 8.447 1.00 0.00 N ATOM 1086 CA ASN A 73 0.616 11.557 9.698 1.00 0.00 C ATOM 1087 C ASN A 73 0.292 10.140 10.176 1.00 0.00 C ATOM 1088 O ASN A 73 1.053 9.551 10.941 1.00 0.00 O ATOM 1089 CB ASN A 73 0.169 12.537 10.785 1.00 0.00 C ATOM 1090 CG ASN A 73 1.306 13.486 11.168 1.00 0.00 C ATOM 1091 OD1 ASN A 73 2.398 13.438 10.628 1.00 0.00 O ATOM 1092 ND2 ASN A 73 0.988 14.350 12.128 1.00 0.00 N ATOM 0 H ASN A 73 -0.602 12.687 8.420 1.00 0.00 H new ATOM 0 HA ASN A 73 1.685 11.677 9.522 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.686 13.113 10.431 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.160 11.984 11.665 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.678 15.027 12.454 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.054 14.336 12.538 1.00 0.00 H new ATOM 1099 N THR A 74 -0.838 9.635 9.705 1.00 0.00 N ATOM 1100 CA THR A 74 -1.272 8.298 10.075 1.00 0.00 C ATOM 1101 C THR A 74 -0.085 7.333 10.072 1.00 0.00 C ATOM 1102 O THR A 74 0.969 7.640 9.517 1.00 0.00 O ATOM 1103 CB THR A 74 -2.394 7.884 9.120 1.00 0.00 C ATOM 1104 OG1 THR A 74 -1.873 8.174 7.826 1.00 0.00 O ATOM 1105 CG2 THR A 74 -3.625 8.785 9.238 1.00 0.00 C ATOM 0 H THR A 74 -1.467 10.127 9.070 1.00 0.00 H new ATOM 0 HA THR A 74 -1.666 8.277 11.091 1.00 0.00 H new ATOM 0 HB THR A 74 -2.680 6.852 9.321 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.236 7.476 7.566 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.391 8.448 8.539 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.015 8.737 10.255 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.347 9.813 9.004 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.295 6.185 10.700 1.00 0.00 N ATOM 1114 CA LYS A 75 0.744 5.173 10.777 1.00 0.00 C ATOM 1115 C LYS A 75 1.126 4.731 9.363 1.00 0.00 C ATOM 1116 O LYS A 75 2.303 4.530 9.068 1.00 0.00 O ATOM 1117 CB LYS A 75 0.305 4.021 11.684 1.00 0.00 C ATOM 1118 CG LYS A 75 1.475 3.084 11.987 1.00 0.00 C ATOM 1119 CD LYS A 75 2.280 3.584 13.189 1.00 0.00 C ATOM 1120 CE LYS A 75 3.387 4.543 12.748 1.00 0.00 C ATOM 1121 NZ LYS A 75 4.519 4.500 13.700 1.00 0.00 N ATOM 0 H LYS A 75 -1.170 5.934 11.160 1.00 0.00 H new ATOM 0 HA LYS A 75 1.643 5.585 11.236 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.096 4.420 12.616 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.498 3.462 11.204 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.100 2.081 12.188 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.124 3.013 11.114 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.616 4.088 13.891 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.717 2.736 13.716 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.733 4.274 11.750 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.994 5.558 12.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.262 5.157 13.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.188 4.778 14.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.904 3.535 13.738 1.00 0.00 H new ATOM 1135 N PHE A 76 0.109 4.593 8.526 1.00 0.00 N ATOM 1136 CA PHE A 76 0.323 4.179 7.149 1.00 0.00 C ATOM 1137 C PHE A 76 -0.008 5.313 6.177 1.00 0.00 C ATOM 1138 O PHE A 76 -0.672 6.280 6.549 1.00 0.00 O ATOM 1139 CB PHE A 76 -0.621 3.004 6.884 1.00 0.00 C ATOM 1140 CG PHE A 76 -0.517 1.878 7.914 1.00 0.00 C ATOM 1141 CD1 PHE A 76 0.685 1.294 8.166 1.00 0.00 C ATOM 1142 CD2 PHE A 76 -1.628 1.459 8.578 1.00 0.00 C ATOM 1143 CE1 PHE A 76 0.781 0.249 9.122 1.00 0.00 C ATOM 1144 CE2 PHE A 76 -1.533 0.414 9.534 1.00 0.00 C ATOM 1145 CZ PHE A 76 -0.330 -0.169 9.786 1.00 0.00 C ATOM 0 H PHE A 76 -0.866 4.760 8.774 1.00 0.00 H new ATOM 0 HA PHE A 76 1.367 3.904 7.001 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.647 3.372 6.866 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.410 2.598 5.895 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.567 1.625 7.638 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.583 1.922 8.378 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.736 -0.214 9.322 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.415 0.082 10.061 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.257 -0.964 10.513 1.00 0.00 H new ATOM 1155 N LYS A 77 0.471 5.157 4.952 1.00 0.00 N ATOM 1156 CA LYS A 77 0.234 6.157 3.924 1.00 0.00 C ATOM 1157 C LYS A 77 -1.248 6.152 3.546 1.00 0.00 C ATOM 1158 O LYS A 77 -1.945 5.162 3.762 1.00 0.00 O ATOM 1159 CB LYS A 77 1.172 5.935 2.736 1.00 0.00 C ATOM 1160 CG LYS A 77 2.583 5.580 3.209 1.00 0.00 C ATOM 1161 CD LYS A 77 3.639 6.354 2.417 1.00 0.00 C ATOM 1162 CE LYS A 77 4.935 6.489 3.217 1.00 0.00 C ATOM 1163 NZ LYS A 77 5.621 5.181 3.319 1.00 0.00 N ATOM 0 H LYS A 77 1.022 4.354 4.648 1.00 0.00 H new ATOM 0 HA LYS A 77 0.464 7.154 4.301 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.784 5.134 2.106 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.206 6.835 2.122 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.682 5.806 4.271 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.750 4.509 3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.840 5.842 1.476 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.257 7.344 2.166 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.592 7.214 2.736 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.715 6.870 4.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.499 5.291 3.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.999 4.499 3.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.848 4.833 2.366 1.00 0.00 H new ATOM 1177 N SER A 78 -1.687 7.271 2.988 1.00 0.00 N ATOM 1178 CA SER A 78 -3.074 7.409 2.578 1.00 0.00 C ATOM 1179 C SER A 78 -3.151 7.674 1.073 1.00 0.00 C ATOM 1180 O SER A 78 -2.147 7.573 0.369 1.00 0.00 O ATOM 1181 CB SER A 78 -3.769 8.532 3.350 1.00 0.00 C ATOM 1182 OG SER A 78 -3.607 9.797 2.714 1.00 0.00 O ATOM 0 H SER A 78 -1.106 8.090 2.810 1.00 0.00 H new ATOM 0 HA SER A 78 -3.591 6.476 2.804 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.831 8.306 3.441 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.365 8.580 4.361 1.00 0.00 H new ATOM 0 HG SER A 78 -3.477 10.491 3.394 1.00 0.00 H new ATOM 1188 N CYS A 79 -4.352 8.007 0.623 1.00 0.00 N ATOM 1189 CA CYS A 79 -4.573 8.288 -0.785 1.00 0.00 C ATOM 1190 C CYS A 79 -4.089 9.710 -1.074 1.00 0.00 C ATOM 1191 O CYS A 79 -3.386 9.943 -2.056 1.00 0.00 O ATOM 1192 CB CYS A 79 -6.039 8.093 -1.178 1.00 0.00 C ATOM 1193 SG CYS A 79 -6.690 6.405 -0.901 1.00 0.00 S ATOM 0 H CYS A 79 -5.183 8.088 1.209 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.006 7.582 -1.392 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.649 8.799 -0.614 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.154 8.343 -2.233 1.00 0.00 H new ATOM 0 HG CYS A 79 -7.937 6.356 -1.266 1.00 0.00 H new ATOM 1198 N VAL A 80 -4.484 10.624 -0.200 1.00 0.00 N ATOM 1199 CA VAL A 80 -4.099 12.017 -0.348 1.00 0.00 C ATOM 1200 C VAL A 80 -2.631 12.181 0.050 1.00 0.00 C ATOM 1201 O VAL A 80 -1.921 13.016 -0.510 1.00 0.00 O ATOM 1202 CB VAL A 80 -5.041 12.910 0.461 1.00 0.00 C ATOM 1203 CG1 VAL A 80 -4.510 14.342 0.537 1.00 0.00 C ATOM 1204 CG2 VAL A 80 -6.457 12.880 -0.118 1.00 0.00 C ATOM 0 H VAL A 80 -5.067 10.427 0.613 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.191 12.330 -1.388 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.086 12.516 1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.199 14.955 1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.531 14.342 1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.421 14.751 -0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.107 13.523 0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.437 13.236 -1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.838 11.859 -0.095 1.00 0.00 H new ATOM 1214 N GLY A 81 -2.218 11.372 1.015 1.00 0.00 N ATOM 1215 CA GLY A 81 -0.847 11.417 1.494 1.00 0.00 C ATOM 1216 C GLY A 81 0.143 11.271 0.337 1.00 0.00 C ATOM 1217 O GLY A 81 0.801 12.236 -0.047 1.00 0.00 O ATOM 0 H GLY A 81 -2.809 10.682 1.478 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.670 12.359 2.012 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.685 10.619 2.219 1.00 0.00 H new ATOM 1221 N CYS A 82 0.218 10.056 -0.186 1.00 0.00 N ATOM 1222 CA CYS A 82 1.117 9.771 -1.291 1.00 0.00 C ATOM 1223 C CYS A 82 1.008 10.911 -2.305 1.00 0.00 C ATOM 1224 O CYS A 82 2.014 11.475 -2.730 1.00 0.00 O ATOM 1225 CB CYS A 82 0.818 8.411 -1.927 1.00 0.00 C ATOM 1226 SG CYS A 82 2.333 7.736 -2.701 1.00 0.00 S ATOM 0 H CYS A 82 -0.329 9.258 0.135 1.00 0.00 H new ATOM 0 HA CYS A 82 2.141 9.710 -0.923 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.447 7.720 -1.170 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.033 8.515 -2.676 1.00 0.00 H new ATOM 0 HG CYS A 82 2.069 6.581 -3.236 1.00 0.00 H new ATOM 1231 N HIS A 83 -0.236 11.224 -2.671 1.00 0.00 N ATOM 1232 CA HIS A 83 -0.537 12.283 -3.627 1.00 0.00 C ATOM 1233 C HIS A 83 0.080 13.609 -3.146 1.00 0.00 C ATOM 1234 O HIS A 83 0.546 14.406 -3.960 1.00 0.00 O ATOM 1235 CB HIS A 83 -2.056 12.337 -3.847 1.00 0.00 C ATOM 1236 CG HIS A 83 -2.655 11.255 -4.716 1.00 0.00 C ATOM 1237 ND1 HIS A 83 -3.740 11.456 -5.470 1.00 0.00 N ATOM 1238 CD2 HIS A 83 -2.281 9.949 -4.926 1.00 0.00 C ATOM 1239 CE1 HIS A 83 -4.031 10.320 -6.123 1.00 0.00 C ATOM 1240 NE2 HIS A 83 -3.161 9.358 -5.824 1.00 0.00 N ATOM 0 H HIS A 83 -1.063 10.747 -2.310 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.087 12.082 -4.599 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.543 12.299 -2.872 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.302 13.303 -4.288 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -4.262 12.330 -5.538 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.436 9.459 -4.465 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.862 10.202 -6.802 1.00 0.00 H new ATOM 1248 N VAL A 84 0.063 13.800 -1.835 1.00 0.00 N ATOM 1249 CA VAL A 84 0.614 15.010 -1.248 1.00 0.00 C ATOM 1250 C VAL A 84 2.139 14.981 -1.369 1.00 0.00 C ATOM 1251 O VAL A 84 2.772 16.023 -1.530 1.00 0.00 O ATOM 1252 CB VAL A 84 0.132 15.156 0.197 1.00 0.00 C ATOM 1253 CG1 VAL A 84 0.866 16.296 0.907 1.00 0.00 C ATOM 1254 CG2 VAL A 84 -1.383 15.363 0.251 1.00 0.00 C ATOM 0 H VAL A 84 -0.324 13.137 -1.163 1.00 0.00 H new ATOM 0 HA VAL A 84 0.262 15.891 -1.785 1.00 0.00 H new ATOM 0 HB VAL A 84 0.363 14.229 0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.505 16.379 1.932 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.936 16.090 0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.680 17.232 0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.700 15.464 1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.647 16.267 -0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.884 14.506 -0.199 1.00 0.00 H new ATOM 1264 N GLU A 85 2.685 13.776 -1.287 1.00 0.00 N ATOM 1265 CA GLU A 85 4.123 13.598 -1.386 1.00 0.00 C ATOM 1266 C GLU A 85 4.561 13.617 -2.852 1.00 0.00 C ATOM 1267 O GLU A 85 5.732 13.849 -3.151 1.00 0.00 O ATOM 1268 CB GLU A 85 4.564 12.304 -0.698 1.00 0.00 C ATOM 1269 CG GLU A 85 5.317 12.602 0.600 1.00 0.00 C ATOM 1270 CD GLU A 85 5.734 11.308 1.301 1.00 0.00 C ATOM 1271 OE1 GLU A 85 6.387 10.483 0.627 1.00 0.00 O ATOM 1272 OE2 GLU A 85 5.390 11.174 2.495 1.00 0.00 O ATOM 0 H GLU A 85 2.157 12.914 -1.153 1.00 0.00 H new ATOM 0 HA GLU A 85 4.608 14.428 -0.872 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.692 11.687 -0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.203 11.730 -1.370 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.200 13.203 0.383 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.685 13.192 1.264 1.00 0.00 H new ATOM 1279 N VAL A 86 3.598 13.370 -3.727 1.00 0.00 N ATOM 1280 CA VAL A 86 3.870 13.355 -5.155 1.00 0.00 C ATOM 1281 C VAL A 86 3.616 14.749 -5.732 1.00 0.00 C ATOM 1282 O VAL A 86 4.497 15.334 -6.361 1.00 0.00 O ATOM 1283 CB VAL A 86 3.037 12.266 -5.834 1.00 0.00 C ATOM 1284 CG1 VAL A 86 3.162 12.352 -7.357 1.00 0.00 C ATOM 1285 CG2 VAL A 86 3.433 10.878 -5.329 1.00 0.00 C ATOM 0 H VAL A 86 2.628 13.179 -3.475 1.00 0.00 H new ATOM 0 HA VAL A 86 4.916 13.111 -5.343 1.00 0.00 H new ATOM 0 HB VAL A 86 1.992 12.431 -5.573 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.561 11.567 -7.816 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.809 13.326 -7.697 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.206 12.224 -7.644 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.826 10.123 -5.828 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.486 10.699 -5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.270 10.822 -4.253 1.00 0.00 H new ATOM 1354 N LYS A 93 -1.665 19.686 -10.479 1.00 0.00 N ATOM 1355 CA LYS A 93 -1.922 18.357 -9.950 1.00 0.00 C ATOM 1356 C LYS A 93 -2.250 18.460 -8.459 1.00 0.00 C ATOM 1357 O LYS A 93 -2.949 17.607 -7.913 1.00 0.00 O ATOM 1358 CB LYS A 93 -0.751 17.422 -10.259 1.00 0.00 C ATOM 1359 CG LYS A 93 -1.063 16.532 -11.465 1.00 0.00 C ATOM 1360 CD LYS A 93 -1.485 17.372 -12.672 1.00 0.00 C ATOM 1361 CE LYS A 93 -0.283 18.091 -13.287 1.00 0.00 C ATOM 1362 NZ LYS A 93 0.911 17.216 -13.265 1.00 0.00 N ATOM 0 HA LYS A 93 -2.791 17.915 -10.438 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.145 18.009 -10.458 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.538 16.800 -9.389 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.185 15.938 -11.720 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.858 15.832 -11.209 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.952 16.731 -13.420 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.234 18.103 -12.367 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.511 18.380 -14.313 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.079 19.009 -12.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.624 17.585 -13.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.308 17.194 -12.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.641 16.253 -13.550 1.00 0.00 H new ATOM 1376 N LYS A 94 -1.730 19.511 -7.843 1.00 0.00 N ATOM 1377 CA LYS A 94 -1.958 19.736 -6.426 1.00 0.00 C ATOM 1378 C LYS A 94 -3.432 20.078 -6.199 1.00 0.00 C ATOM 1379 O LYS A 94 -3.883 20.174 -5.059 1.00 0.00 O ATOM 1380 CB LYS A 94 -0.992 20.795 -5.889 1.00 0.00 C ATOM 1381 CG LYS A 94 -1.638 22.181 -5.898 1.00 0.00 C ATOM 1382 CD LYS A 94 -2.230 22.520 -4.528 1.00 0.00 C ATOM 1383 CE LYS A 94 -2.128 24.019 -4.242 1.00 0.00 C ATOM 1384 NZ LYS A 94 -1.760 24.253 -2.828 1.00 0.00 N ATOM 0 H LYS A 94 -1.151 20.216 -8.299 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.749 18.829 -5.858 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.691 20.537 -4.874 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.087 20.808 -6.496 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.895 22.930 -6.173 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.421 22.216 -6.655 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.274 22.210 -4.492 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.705 21.962 -3.753 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.383 24.470 -4.897 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.080 24.503 -4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.695 25.276 -2.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.485 23.840 -2.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.841 23.808 -2.630 1.00 0.00 H new ATOM 1398 N LYS A 95 -4.143 20.251 -7.304 1.00 0.00 N ATOM 1399 CA LYS A 95 -5.557 20.580 -7.240 1.00 0.00 C ATOM 1400 C LYS A 95 -6.363 19.485 -7.941 1.00 0.00 C ATOM 1401 O LYS A 95 -7.590 19.554 -8.000 1.00 0.00 O ATOM 1402 CB LYS A 95 -5.806 21.982 -7.801 1.00 0.00 C ATOM 1403 CG LYS A 95 -5.381 23.057 -6.799 1.00 0.00 C ATOM 1404 CD LYS A 95 -6.410 24.188 -6.738 1.00 0.00 C ATOM 1405 CE LYS A 95 -6.272 25.120 -7.943 1.00 0.00 C ATOM 1406 NZ LYS A 95 -6.197 26.531 -7.501 1.00 0.00 N ATOM 0 H LYS A 95 -3.766 20.170 -8.248 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.895 20.611 -6.204 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -5.253 22.109 -8.732 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.863 22.100 -8.040 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.265 22.612 -5.811 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.409 23.460 -7.083 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -7.416 23.768 -6.712 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -6.277 24.756 -5.817 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.377 24.862 -8.509 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.122 24.987 -8.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.104 27.150 -8.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.063 26.778 -6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.372 26.657 -6.880 1.00 0.00 H new ATOM 1420 N ASP A 96 -5.641 18.500 -8.455 1.00 0.00 N ATOM 1421 CA ASP A 96 -6.274 17.392 -9.150 1.00 0.00 C ATOM 1422 C ASP A 96 -6.005 16.095 -8.383 1.00 0.00 C ATOM 1423 O ASP A 96 -6.809 15.165 -8.428 1.00 0.00 O ATOM 1424 CB ASP A 96 -5.708 17.232 -10.562 1.00 0.00 C ATOM 1425 CG ASP A 96 -5.389 18.543 -11.283 1.00 0.00 C ATOM 1426 OD1 ASP A 96 -5.790 19.598 -10.747 1.00 0.00 O ATOM 1427 OD2 ASP A 96 -4.751 18.460 -12.355 1.00 0.00 O ATOM 0 H ASP A 96 -4.624 18.446 -8.404 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.343 17.598 -9.211 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.798 16.634 -10.507 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.423 16.669 -11.162 1.00 0.00 H new ATOM 1432 N LEU A 97 -4.872 16.075 -7.697 1.00 0.00 N ATOM 1433 CA LEU A 97 -4.488 14.908 -6.921 1.00 0.00 C ATOM 1434 C LEU A 97 -4.996 15.064 -5.487 1.00 0.00 C ATOM 1435 O LEU A 97 -5.536 14.121 -4.910 1.00 0.00 O ATOM 1436 CB LEU A 97 -2.979 14.674 -7.017 1.00 0.00 C ATOM 1437 CG LEU A 97 -2.390 14.661 -8.430 1.00 0.00 C ATOM 1438 CD1 LEU A 97 -0.936 14.186 -8.414 1.00 0.00 C ATOM 1439 CD2 LEU A 97 -3.256 13.827 -9.377 1.00 0.00 C ATOM 0 H LEU A 97 -4.207 16.848 -7.662 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.953 14.010 -7.328 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.474 15.450 -6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.748 13.722 -6.540 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.390 15.683 -8.810 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.542 14.186 -9.430 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.341 14.857 -7.794 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.888 13.176 -8.006 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.816 13.834 -10.374 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.311 12.801 -9.012 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.259 14.251 -9.421 1.00 0.00 H new ATOM 1451 N THR A 98 -4.804 16.261 -4.952 1.00 0.00 N ATOM 1452 CA THR A 98 -5.236 16.552 -3.596 1.00 0.00 C ATOM 1453 C THR A 98 -6.472 17.454 -3.612 1.00 0.00 C ATOM 1454 O THR A 98 -6.988 17.826 -2.559 1.00 0.00 O ATOM 1455 CB THR A 98 -4.051 17.160 -2.842 1.00 0.00 C ATOM 1456 OG1 THR A 98 -3.795 18.384 -3.526 1.00 0.00 O ATOM 1457 CG2 THR A 98 -2.764 16.353 -3.028 1.00 0.00 C ATOM 0 H THR A 98 -4.355 17.040 -5.433 1.00 0.00 H new ATOM 0 HA THR A 98 -5.541 15.644 -3.075 1.00 0.00 H new ATOM 0 HB THR A 98 -4.290 17.224 -1.780 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.369 18.442 -4.319 1.00 0.00 H new ATOM 0 HG21 THR A 98 -1.954 16.827 -2.473 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.914 15.339 -2.657 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.506 16.318 -4.087 1.00 0.00 H new ATOM 1465 N GLY A 99 -6.912 17.780 -4.819 1.00 0.00 N ATOM 1466 CA GLY A 99 -8.077 18.631 -4.986 1.00 0.00 C ATOM 1467 C GLY A 99 -9.318 17.991 -4.359 1.00 0.00 C ATOM 1468 O GLY A 99 -9.377 16.774 -4.195 1.00 0.00 O ATOM 0 H GLY A 99 -6.482 17.470 -5.690 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.892 19.601 -4.526 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.252 18.810 -6.047 1.00 0.00 H new ATOM 1472 N CYS A 100 -10.278 18.841 -4.025 1.00 0.00 N ATOM 1473 CA CYS A 100 -11.513 18.374 -3.420 1.00 0.00 C ATOM 1474 C CYS A 100 -12.575 18.267 -4.516 1.00 0.00 C ATOM 1475 O CYS A 100 -13.290 17.269 -4.597 1.00 0.00 O ATOM 1476 CB CYS A 100 -11.963 19.287 -2.277 1.00 0.00 C ATOM 1477 SG CYS A 100 -10.943 19.179 -0.762 1.00 0.00 S ATOM 0 H CYS A 100 -10.225 19.850 -4.162 1.00 0.00 H new ATOM 0 HA CYS A 100 -11.354 17.393 -2.973 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -11.956 20.318 -2.630 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -12.995 19.045 -2.022 1.00 0.00 H new ATOM 0 HG CYS A 100 -11.412 19.994 0.136 1.00 0.00 H new ATOM 1482 N LYS A 101 -12.645 19.308 -5.332 1.00 0.00 N ATOM 1483 CA LYS A 101 -13.607 19.344 -6.420 1.00 0.00 C ATOM 1484 C LYS A 101 -12.863 19.294 -7.756 1.00 0.00 C ATOM 1485 O LYS A 101 -11.791 19.882 -7.895 1.00 0.00 O ATOM 1486 CB LYS A 101 -14.534 20.553 -6.277 1.00 0.00 C ATOM 1487 CG LYS A 101 -13.979 21.761 -7.034 1.00 0.00 C ATOM 1488 CD LYS A 101 -12.710 22.293 -6.363 1.00 0.00 C ATOM 1489 CE LYS A 101 -12.933 22.514 -4.865 1.00 0.00 C ATOM 1490 NZ LYS A 101 -11.817 23.293 -4.284 1.00 0.00 N ATOM 0 H LYS A 101 -12.050 20.134 -5.261 1.00 0.00 H new ATOM 0 HA LYS A 101 -14.255 18.469 -6.383 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.524 20.304 -6.658 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -14.652 20.803 -5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -13.760 21.480 -8.064 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -14.732 22.548 -7.072 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.892 21.588 -6.512 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.412 23.231 -6.832 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.874 23.041 -4.705 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.016 21.553 -4.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.984 23.434 -3.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.925 22.776 -4.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.756 24.218 -4.756 1.00 0.00 H new ATOM 1504 N LYS A 102 -13.460 18.587 -8.704 1.00 0.00 N ATOM 1505 CA LYS A 102 -12.866 18.454 -10.024 1.00 0.00 C ATOM 1506 C LYS A 102 -11.654 17.524 -9.941 1.00 0.00 C ATOM 1507 O LYS A 102 -10.934 17.348 -10.923 1.00 0.00 O ATOM 1508 CB LYS A 102 -12.547 19.830 -10.610 1.00 0.00 C ATOM 1509 CG LYS A 102 -13.278 20.045 -11.936 1.00 0.00 C ATOM 1510 CD LYS A 102 -13.298 21.526 -12.319 1.00 0.00 C ATOM 1511 CE LYS A 102 -11.906 22.002 -12.739 1.00 0.00 C ATOM 1512 NZ LYS A 102 -11.976 22.744 -14.018 1.00 0.00 N ATOM 0 H LYS A 102 -14.348 18.100 -8.585 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.573 17.996 -10.716 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -12.836 20.606 -9.902 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.472 19.923 -10.764 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.789 19.469 -12.722 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.299 19.673 -11.856 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -14.002 21.685 -13.136 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -13.650 22.119 -11.475 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -11.484 22.641 -11.963 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -11.239 21.146 -12.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.023 23.060 -14.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.358 22.123 -14.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.596 23.571 -13.906 1.00 0.00 H new ATOM 1526 N SER A 103 -11.465 16.953 -8.760 1.00 0.00 N ATOM 1527 CA SER A 103 -10.352 16.046 -8.537 1.00 0.00 C ATOM 1528 C SER A 103 -10.677 14.667 -9.114 1.00 0.00 C ATOM 1529 O SER A 103 -11.842 14.280 -9.187 1.00 0.00 O ATOM 1530 CB SER A 103 -10.024 15.934 -7.047 1.00 0.00 C ATOM 1531 OG SER A 103 -9.115 14.870 -6.779 1.00 0.00 O ATOM 0 H SER A 103 -12.064 17.101 -7.948 1.00 0.00 H new ATOM 0 HA SER A 103 -9.476 16.448 -9.045 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.595 16.874 -6.699 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.944 15.775 -6.484 1.00 0.00 H new ATOM 0 HG SER A 103 -8.314 14.976 -7.334 1.00 0.00 H new ATOM 1537 N LYS A 104 -9.626 13.964 -9.509 1.00 0.00 N ATOM 1538 CA LYS A 104 -9.785 12.636 -10.077 1.00 0.00 C ATOM 1539 C LYS A 104 -10.601 11.769 -9.116 1.00 0.00 C ATOM 1540 O LYS A 104 -11.480 11.021 -9.542 1.00 0.00 O ATOM 1541 CB LYS A 104 -8.423 12.040 -10.437 1.00 0.00 C ATOM 1542 CG LYS A 104 -8.131 12.202 -11.931 1.00 0.00 C ATOM 1543 CD LYS A 104 -7.622 13.612 -12.240 1.00 0.00 C ATOM 1544 CE LYS A 104 -6.238 13.564 -12.891 1.00 0.00 C ATOM 1545 NZ LYS A 104 -5.940 14.845 -13.569 1.00 0.00 N ATOM 0 H LYS A 104 -8.661 14.289 -9.447 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.342 12.687 -11.013 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.642 12.530 -9.855 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.403 10.983 -10.171 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -7.389 11.467 -12.242 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.036 12.004 -12.506 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.323 14.118 -12.904 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.575 14.196 -11.321 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.480 13.361 -12.134 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -6.196 12.746 -13.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.913 15.006 -13.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.286 14.808 -14.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.412 15.623 -13.065 1.00 0.00 H new ATOM 1559 N CYS A 105 -10.280 11.897 -7.837 1.00 0.00 N ATOM 1560 CA CYS A 105 -10.972 11.134 -6.812 1.00 0.00 C ATOM 1561 C CYS A 105 -12.413 11.641 -6.726 1.00 0.00 C ATOM 1562 O CYS A 105 -13.359 10.894 -6.966 1.00 0.00 O ATOM 1563 CB CYS A 105 -10.256 11.221 -5.462 1.00 0.00 C ATOM 1564 SG CYS A 105 -8.493 10.768 -5.659 1.00 0.00 S ATOM 0 H CYS A 105 -9.550 12.518 -7.487 1.00 0.00 H new ATOM 0 HA CYS A 105 -10.975 10.078 -7.081 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -10.338 12.232 -5.062 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -10.733 10.554 -4.744 1.00 0.00 H new ATOM 0 HG CYS A 105 -7.893 10.847 -4.508 1.00 0.00 H new ATOM 1569 N HIS A 106 -12.540 12.922 -6.380 1.00 0.00 N ATOM 1570 CA HIS A 106 -13.834 13.582 -6.247 1.00 0.00 C ATOM 1571 C HIS A 106 -14.128 14.411 -7.511 1.00 0.00 C ATOM 1572 O HIS A 106 -14.267 15.631 -7.432 1.00 0.00 O ATOM 1573 CB HIS A 106 -13.848 14.392 -4.943 1.00 0.00 C ATOM 1574 CG HIS A 106 -13.708 13.612 -3.656 1.00 0.00 C ATOM 1575 ND1 HIS A 106 -14.668 12.805 -3.195 1.00 0.00 N ATOM 1576 CD2 HIS A 106 -12.681 13.543 -2.745 1.00 0.00 C ATOM 1577 CE1 HIS A 106 -14.257 12.255 -2.043 1.00 0.00 C ATOM 1578 NE2 HIS A 106 -13.036 12.676 -1.718 1.00 0.00 N ATOM 0 H HIS A 106 -11.745 13.531 -6.184 1.00 0.00 H new ATOM 0 HA HIS A 106 -14.645 12.858 -6.173 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -13.040 15.122 -4.988 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -14.782 14.952 -4.901 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -11.746 14.078 -2.816 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.840 11.561 -1.456 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -12.485 12.420 -0.899 1.00 0.00 H new ATOM 1586 N GLU A 107 -14.214 13.717 -8.636 1.00 0.00 N ATOM 1587 CA GLU A 107 -14.488 14.376 -9.902 1.00 0.00 C ATOM 1588 C GLU A 107 -15.996 14.554 -10.092 1.00 0.00 C ATOM 1589 O GLU A 107 -16.735 13.574 -10.172 1.00 0.00 O ATOM 1590 CB GLU A 107 -13.877 13.598 -11.069 1.00 0.00 C ATOM 1591 CG GLU A 107 -14.504 14.021 -12.399 1.00 0.00 C ATOM 1592 CD GLU A 107 -13.445 14.114 -13.499 1.00 0.00 C ATOM 1593 OE1 GLU A 107 -12.299 14.475 -13.155 1.00 0.00 O ATOM 1594 OE2 GLU A 107 -13.806 13.821 -14.660 1.00 0.00 O ATOM 0 H GLU A 107 -14.099 12.705 -8.698 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.024 15.362 -9.884 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -12.801 13.768 -11.100 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -14.027 12.529 -10.916 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -15.272 13.303 -12.688 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -14.998 14.986 -12.282 1.00 0.00 H new