USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 516 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 NoAdj-H: A 30 HIS HD1 : A 30 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 51 LYS NZ :NH3+ -179:sc= 0.425 (180deg=0) USER MOD Set 1.2: A 64 GLN : amide:sc= -1.78! C(o=-1.4!,f=-5.6!) USER MOD Set 2.1: A 37 HIS : no HD1:sc= -1.99! K(o=-2!,f=-3.5) USER MOD Set 2.2: A 54 GLN : amide:sc= 0 K(o=-2,f=-2.8) USER MOD Set 3.1: A 9 GLN : amide:sc= -0.757 K(o=0.23,f=-14!) USER MOD Set 3.2: A 12 LYS NZ :NH3+ -153:sc= 0.984 (180deg=0) USER MOD Set 4.1: A 5 SER OG : rot 180:sc= -0.0649 USER MOD Set 4.2: A 6 SER OG : rot 180:sc= 0 USER MOD Set 4.3: A 21 LYS NZ :NH3+ -139:sc= -0.464 (180deg=-2.03!) USER MOD Set 4.4: A 28 SER OG : rot 130:sc= 0.0678 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 161:sc= -0.0326 (180deg=-0.279) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl -120:sc= -1.14 (180deg=-3.17!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -167:sc= -0.031 (180deg=-0.278) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= -0.0106 (180deg=-0.191) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.542 X(o=-0.54,f=-0.79) USER MOD Single : A 41 GLN : amide:sc= -0.314 K(o=-0.31,f=-2.5!) USER MOD Single : A 45 THR OG1 : rot 57:sc= 0.334 USER MOD Single : A 46 LYS NZ :NH3+ -157:sc= -0.0705 (180deg=-0.345) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN :FLIP amide:sc= -2.93 F(o=-5!,f=-2.9) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.0057) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -37.123 -2.150 0.981 1.00 0.00 N ATOM 2 CA GLY A 1 -36.072 -1.279 1.473 1.00 0.00 C ATOM 3 C GLY A 1 -34.688 -1.770 1.098 1.00 0.00 C ATOM 4 O GLY A 1 -34.458 -2.194 -0.034 1.00 0.00 O ATOM 0 H1 GLY A 1 -38.049 -1.771 1.264 1.00 0.00 H new ATOM 0 H2 GLY A 1 -37.073 -2.203 -0.056 1.00 0.00 H new ATOM 0 H3 GLY A 1 -37.002 -3.102 1.383 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -36.219 -0.276 1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -36.146 -1.203 2.558 1.00 0.00 H new ATOM 8 N SER A 2 -33.763 -1.712 2.051 1.00 0.00 N ATOM 9 CA SER A 2 -32.392 -2.149 1.813 1.00 0.00 C ATOM 10 C SER A 2 -31.587 -2.142 3.109 1.00 0.00 C ATOM 11 O SER A 2 -31.661 -1.196 3.894 1.00 0.00 O ATOM 12 CB SER A 2 -31.719 -1.248 0.777 1.00 0.00 C ATOM 13 OG SER A 2 -31.637 0.089 1.240 1.00 0.00 O ATOM 0 H SER A 2 -33.938 -1.367 2.995 1.00 0.00 H new ATOM 0 HA SER A 2 -32.424 -3.169 1.430 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.719 -1.623 0.560 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.281 -1.279 -0.156 1.00 0.00 H new ATOM 0 HG SER A 2 -31.201 0.644 0.560 1.00 0.00 H new ATOM 19 N SER A 3 -30.819 -3.204 3.327 1.00 0.00 N ATOM 20 CA SER A 3 -30.002 -3.324 4.529 1.00 0.00 C ATOM 21 C SER A 3 -28.525 -3.130 4.204 1.00 0.00 C ATOM 22 O SER A 3 -28.072 -3.451 3.106 1.00 0.00 O ATOM 23 CB SER A 3 -30.218 -4.690 5.184 1.00 0.00 C ATOM 24 OG SER A 3 -31.571 -4.865 5.566 1.00 0.00 O ATOM 0 H SER A 3 -30.745 -3.994 2.687 1.00 0.00 H new ATOM 0 HA SER A 3 -30.308 -2.543 5.225 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.928 -5.479 4.490 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.575 -4.783 6.059 1.00 0.00 H new ATOM 0 HG SER A 3 -31.683 -5.746 5.980 1.00 0.00 H new ATOM 30 N GLY A 4 -27.777 -2.602 5.168 1.00 0.00 N ATOM 31 CA GLY A 4 -26.358 -2.374 4.966 1.00 0.00 C ATOM 32 C GLY A 4 -25.608 -2.192 6.270 1.00 0.00 C ATOM 33 O GLY A 4 -25.602 -1.102 6.844 1.00 0.00 O ATOM 0 H GLY A 4 -28.128 -2.328 6.085 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.932 -3.216 4.420 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.220 -1.489 4.345 1.00 0.00 H new ATOM 37 N SER A 5 -24.974 -3.261 6.742 1.00 0.00 N ATOM 38 CA SER A 5 -24.222 -3.215 7.990 1.00 0.00 C ATOM 39 C SER A 5 -22.774 -2.808 7.738 1.00 0.00 C ATOM 40 O SER A 5 -22.253 -1.895 8.378 1.00 0.00 O ATOM 41 CB SER A 5 -24.268 -4.576 8.688 1.00 0.00 C ATOM 42 OG SER A 5 -23.758 -5.597 7.848 1.00 0.00 O ATOM 0 H SER A 5 -24.966 -4.170 6.279 1.00 0.00 H new ATOM 0 HA SER A 5 -24.683 -2.468 8.636 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.688 -4.535 9.610 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.295 -4.810 8.968 1.00 0.00 H new ATOM 0 HG SER A 5 -23.797 -6.456 8.317 1.00 0.00 H new ATOM 48 N SER A 6 -22.129 -3.493 6.799 1.00 0.00 N ATOM 49 CA SER A 6 -20.739 -3.207 6.463 1.00 0.00 C ATOM 50 C SER A 6 -20.653 -2.215 5.307 1.00 0.00 C ATOM 51 O SER A 6 -20.463 -2.603 4.155 1.00 0.00 O ATOM 52 CB SER A 6 -20.004 -4.498 6.098 1.00 0.00 C ATOM 53 OG SER A 6 -20.061 -5.435 7.160 1.00 0.00 O ATOM 0 H SER A 6 -22.547 -4.250 6.258 1.00 0.00 H new ATOM 0 HA SER A 6 -20.264 -2.762 7.337 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.448 -4.932 5.202 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.964 -4.274 5.862 1.00 0.00 H new ATOM 0 HG SER A 6 -19.586 -6.252 6.901 1.00 0.00 H new ATOM 59 N GLY A 7 -20.794 -0.932 5.624 1.00 0.00 N ATOM 60 CA GLY A 7 -20.730 0.096 4.602 1.00 0.00 C ATOM 61 C GLY A 7 -19.374 0.773 4.546 1.00 0.00 C ATOM 62 O GLY A 7 -18.647 0.808 5.539 1.00 0.00 O ATOM 0 H GLY A 7 -20.951 -0.586 6.571 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.952 -0.347 3.631 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.499 0.844 4.795 1.00 0.00 H new ATOM 66 N CYS A 8 -19.032 1.312 3.380 1.00 0.00 N ATOM 67 CA CYS A 8 -17.754 1.990 3.196 1.00 0.00 C ATOM 68 C CYS A 8 -17.797 3.399 3.780 1.00 0.00 C ATOM 69 O CYS A 8 -18.871 3.948 4.023 1.00 0.00 O ATOM 70 CB CYS A 8 -17.396 2.052 1.710 1.00 0.00 C ATOM 71 SG CYS A 8 -15.970 3.121 1.334 1.00 0.00 S ATOM 0 H CYS A 8 -19.622 1.292 2.548 1.00 0.00 H new ATOM 0 HA CYS A 8 -16.989 1.421 3.724 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -17.184 1.043 1.356 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -18.262 2.410 1.153 1.00 0.00 H new ATOM 76 N GLN A 9 -16.621 3.977 4.002 1.00 0.00 N ATOM 77 CA GLN A 9 -16.524 5.322 4.557 1.00 0.00 C ATOM 78 C GLN A 9 -16.021 6.309 3.509 1.00 0.00 C ATOM 79 O GLN A 9 -16.429 7.469 3.490 1.00 0.00 O ATOM 80 CB GLN A 9 -15.593 5.329 5.771 1.00 0.00 C ATOM 81 CG GLN A 9 -16.322 5.191 7.098 1.00 0.00 C ATOM 82 CD GLN A 9 -17.113 6.432 7.461 1.00 0.00 C ATOM 83 OE1 GLN A 9 -18.060 6.804 6.768 1.00 0.00 O ATOM 84 NE2 GLN A 9 -16.727 7.081 8.554 1.00 0.00 N ATOM 0 H GLN A 9 -15.723 3.535 3.806 1.00 0.00 H new ATOM 0 HA GLN A 9 -17.521 5.631 4.871 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -14.876 4.514 5.673 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -15.022 6.257 5.775 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -16.996 4.336 7.051 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -15.598 4.983 7.886 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -15.936 6.737 9.099 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -17.221 7.923 8.848 1.00 0.00 H new ATOM 93 N GLU A 10 -15.132 5.839 2.640 1.00 0.00 N ATOM 94 CA GLU A 10 -14.572 6.682 1.590 1.00 0.00 C ATOM 95 C GLU A 10 -15.669 7.194 0.661 1.00 0.00 C ATOM 96 O GLU A 10 -15.941 8.394 0.605 1.00 0.00 O ATOM 97 CB GLU A 10 -13.528 5.906 0.784 1.00 0.00 C ATOM 98 CG GLU A 10 -12.417 6.780 0.226 1.00 0.00 C ATOM 99 CD GLU A 10 -11.902 7.785 1.238 1.00 0.00 C ATOM 100 OE1 GLU A 10 -11.203 7.368 2.185 1.00 0.00 O ATOM 101 OE2 GLU A 10 -12.197 8.989 1.082 1.00 0.00 O ATOM 0 H GLU A 10 -14.784 4.880 2.642 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.092 7.538 2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.089 5.137 1.419 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.025 5.394 -0.040 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.593 6.147 -0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.784 7.310 -0.653 1.00 0.00 H new ATOM 108 N CYS A 11 -16.295 6.276 -0.068 1.00 0.00 N ATOM 109 CA CYS A 11 -17.362 6.633 -0.995 1.00 0.00 C ATOM 110 C CYS A 11 -18.729 6.492 -0.332 1.00 0.00 C ATOM 111 O CYS A 11 -19.755 6.833 -0.921 1.00 0.00 O ATOM 112 CB CYS A 11 -17.296 5.752 -2.245 1.00 0.00 C ATOM 113 SG CYS A 11 -17.441 3.968 -1.905 1.00 0.00 S ATOM 0 H CYS A 11 -16.082 5.279 -0.035 1.00 0.00 H new ATOM 0 HA CYS A 11 -17.224 7.675 -1.285 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -18.093 6.047 -2.927 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -16.352 5.938 -2.758 1.00 0.00 H new ATOM 118 N LYS A 12 -18.735 5.987 0.897 1.00 0.00 N ATOM 119 CA LYS A 12 -19.975 5.802 1.642 1.00 0.00 C ATOM 120 C LYS A 12 -20.902 4.829 0.922 1.00 0.00 C ATOM 121 O LYS A 12 -22.125 4.951 0.995 1.00 0.00 O ATOM 122 CB LYS A 12 -20.681 7.145 1.839 1.00 0.00 C ATOM 123 CG LYS A 12 -20.003 8.046 2.857 1.00 0.00 C ATOM 124 CD LYS A 12 -20.061 7.451 4.254 1.00 0.00 C ATOM 125 CE LYS A 12 -19.823 8.509 5.321 1.00 0.00 C ATOM 126 NZ LYS A 12 -20.387 8.105 6.638 1.00 0.00 N ATOM 0 H LYS A 12 -17.895 5.698 1.398 1.00 0.00 H new ATOM 0 HA LYS A 12 -19.725 5.384 2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -20.729 7.664 0.882 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -21.708 6.963 2.155 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -18.963 8.203 2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -20.485 9.024 2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -21.034 6.986 4.412 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -19.312 6.664 4.347 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -18.753 8.687 5.424 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -20.274 9.450 5.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -20.625 8.954 7.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -21.246 7.537 6.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -19.685 7.541 7.158 1.00 0.00 H new ATOM 140 N LYS A 13 -20.313 3.861 0.228 1.00 0.00 N ATOM 141 CA LYS A 13 -21.086 2.864 -0.503 1.00 0.00 C ATOM 142 C LYS A 13 -21.101 1.533 0.242 1.00 0.00 C ATOM 143 O LYS A 13 -20.116 1.154 0.878 1.00 0.00 O ATOM 144 CB LYS A 13 -20.507 2.668 -1.906 1.00 0.00 C ATOM 145 CG LYS A 13 -20.569 3.917 -2.769 1.00 0.00 C ATOM 146 CD LYS A 13 -21.983 4.188 -3.256 1.00 0.00 C ATOM 147 CE LYS A 13 -21.993 5.173 -4.415 1.00 0.00 C ATOM 148 NZ LYS A 13 -21.408 4.582 -5.650 1.00 0.00 N ATOM 0 H LYS A 13 -19.302 3.746 0.156 1.00 0.00 H new ATOM 0 HA LYS A 13 -22.111 3.225 -0.586 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -19.469 2.347 -1.820 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.049 1.864 -2.405 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -20.209 4.773 -2.198 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -19.904 3.802 -3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -22.447 3.252 -3.568 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -22.582 4.583 -2.436 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -23.017 5.490 -4.614 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -21.431 6.065 -4.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -21.713 5.134 -6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -20.370 4.600 -5.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -21.732 3.599 -5.751 1.00 0.00 H new ATOM 162 N THR A 14 -22.223 0.825 0.159 1.00 0.00 N ATOM 163 CA THR A 14 -22.365 -0.464 0.825 1.00 0.00 C ATOM 164 C THR A 14 -21.373 -1.480 0.273 1.00 0.00 C ATOM 165 O THR A 14 -21.399 -1.806 -0.914 1.00 0.00 O ATOM 166 CB THR A 14 -23.793 -1.021 0.670 1.00 0.00 C ATOM 167 OG1 THR A 14 -24.734 -0.134 1.284 1.00 0.00 O ATOM 168 CG2 THR A 14 -23.905 -2.402 1.299 1.00 0.00 C ATOM 0 H THR A 14 -23.047 1.123 -0.363 1.00 0.00 H new ATOM 0 HA THR A 14 -22.160 -0.298 1.883 1.00 0.00 H new ATOM 0 HB THR A 14 -24.014 -1.104 -0.394 1.00 0.00 H new ATOM 0 HG1 THR A 14 -25.639 -0.494 1.180 1.00 0.00 H new ATOM 0 HG21 THR A 14 -24.922 -2.776 1.178 1.00 0.00 H new ATOM 0 HG22 THR A 14 -23.208 -3.082 0.810 1.00 0.00 H new ATOM 0 HG23 THR A 14 -23.666 -2.339 2.361 1.00 0.00 H new ATOM 176 N ILE A 15 -20.499 -1.979 1.141 1.00 0.00 N ATOM 177 CA ILE A 15 -19.499 -2.960 0.740 1.00 0.00 C ATOM 178 C ILE A 15 -20.077 -4.371 0.753 1.00 0.00 C ATOM 179 O ILE A 15 -20.612 -4.823 1.765 1.00 0.00 O ATOM 180 CB ILE A 15 -18.264 -2.914 1.659 1.00 0.00 C ATOM 181 CG1 ILE A 15 -17.706 -1.491 1.730 1.00 0.00 C ATOM 182 CG2 ILE A 15 -17.199 -3.882 1.165 1.00 0.00 C ATOM 183 CD1 ILE A 15 -16.552 -1.342 2.695 1.00 0.00 C ATOM 0 H ILE A 15 -20.464 -1.720 2.127 1.00 0.00 H new ATOM 0 HA ILE A 15 -19.195 -2.704 -0.275 1.00 0.00 H new ATOM 0 HB ILE A 15 -18.565 -3.217 2.662 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -17.379 -1.188 0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -18.505 -0.810 2.024 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -16.333 -3.838 1.825 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -17.601 -4.895 1.162 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -16.899 -3.608 0.154 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -16.207 -0.308 2.693 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -16.879 -1.614 3.699 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -15.736 -1.997 2.390 1.00 0.00 H new ATOM 195 N MET A 16 -19.963 -5.062 -0.376 1.00 0.00 N ATOM 196 CA MET A 16 -20.472 -6.424 -0.493 1.00 0.00 C ATOM 197 C MET A 16 -19.573 -7.406 0.252 1.00 0.00 C ATOM 198 O MET A 16 -18.376 -7.179 0.425 1.00 0.00 O ATOM 199 CB MET A 16 -20.579 -6.827 -1.965 1.00 0.00 C ATOM 200 CG MET A 16 -21.703 -6.124 -2.707 1.00 0.00 C ATOM 201 SD MET A 16 -23.336 -6.593 -2.102 1.00 0.00 S ATOM 202 CE MET A 16 -23.598 -5.352 -0.838 1.00 0.00 C ATOM 0 H MET A 16 -19.523 -4.702 -1.223 1.00 0.00 H new ATOM 0 HA MET A 16 -21.464 -6.454 -0.043 1.00 0.00 H new ATOM 0 HB2 MET A 16 -19.634 -6.609 -2.463 1.00 0.00 H new ATOM 0 HB3 MET A 16 -20.731 -7.904 -2.028 1.00 0.00 H new ATOM 0 HG2 MET A 16 -21.579 -5.046 -2.608 1.00 0.00 H new ATOM 0 HG3 MET A 16 -21.633 -6.357 -3.770 1.00 0.00 H new ATOM 0 HE1 MET A 16 -23.733 -5.839 0.128 1.00 0.00 H new ATOM 0 HE2 MET A 16 -22.733 -4.691 -0.793 1.00 0.00 H new ATOM 0 HE3 MET A 16 -24.488 -4.770 -1.079 1.00 0.00 H new ATOM 212 N PRO A 17 -20.162 -8.523 0.703 1.00 0.00 N ATOM 213 CA PRO A 17 -19.432 -9.562 1.436 1.00 0.00 C ATOM 214 C PRO A 17 -18.453 -10.320 0.546 1.00 0.00 C ATOM 215 O PRO A 17 -17.488 -10.910 1.030 1.00 0.00 O ATOM 216 CB PRO A 17 -20.541 -10.496 1.927 1.00 0.00 C ATOM 217 CG PRO A 17 -21.657 -10.299 0.960 1.00 0.00 C ATOM 218 CD PRO A 17 -21.585 -8.859 0.532 1.00 0.00 C ATOM 0 HA PRO A 17 -18.823 -9.143 2.237 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -20.208 -11.534 1.941 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -20.848 -10.246 2.943 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -21.554 -10.966 0.104 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -22.618 -10.521 1.423 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -21.907 -8.730 -0.501 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -22.224 -8.225 1.146 1.00 0.00 H new ATOM 226 N GLY A 18 -18.708 -10.299 -0.759 1.00 0.00 N ATOM 227 CA GLY A 18 -17.839 -10.988 -1.696 1.00 0.00 C ATOM 228 C GLY A 18 -16.453 -10.377 -1.758 1.00 0.00 C ATOM 229 O GLY A 18 -15.449 -11.089 -1.719 1.00 0.00 O ATOM 0 H GLY A 18 -19.500 -9.817 -1.184 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -17.758 -12.036 -1.408 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -18.288 -10.964 -2.689 1.00 0.00 H new ATOM 233 N THR A 19 -16.396 -9.052 -1.858 1.00 0.00 N ATOM 234 CA THR A 19 -15.123 -8.345 -1.930 1.00 0.00 C ATOM 235 C THR A 19 -14.493 -8.207 -0.548 1.00 0.00 C ATOM 236 O THR A 19 -15.187 -8.248 0.468 1.00 0.00 O ATOM 237 CB THR A 19 -15.293 -6.945 -2.547 1.00 0.00 C ATOM 238 OG1 THR A 19 -14.014 -6.409 -2.905 1.00 0.00 O ATOM 239 CG2 THR A 19 -15.988 -6.004 -1.574 1.00 0.00 C ATOM 0 H THR A 19 -17.217 -8.447 -1.891 1.00 0.00 H new ATOM 0 HA THR A 19 -14.467 -8.937 -2.568 1.00 0.00 H new ATOM 0 HB THR A 19 -15.911 -7.039 -3.440 1.00 0.00 H new ATOM 0 HG1 THR A 19 -14.131 -5.519 -3.298 1.00 0.00 H new ATOM 0 HG21 THR A 19 -16.096 -5.021 -2.033 1.00 0.00 H new ATOM 0 HG22 THR A 19 -16.973 -6.399 -1.326 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.393 -5.916 -0.665 1.00 0.00 H new ATOM 247 N ARG A 20 -13.175 -8.042 -0.518 1.00 0.00 N ATOM 248 CA ARG A 20 -12.452 -7.897 0.739 1.00 0.00 C ATOM 249 C ARG A 20 -12.394 -6.434 1.168 1.00 0.00 C ATOM 250 O ARG A 20 -11.928 -5.574 0.421 1.00 0.00 O ATOM 251 CB ARG A 20 -11.034 -8.456 0.604 1.00 0.00 C ATOM 252 CG ARG A 20 -10.217 -7.785 -0.488 1.00 0.00 C ATOM 253 CD ARG A 20 -8.890 -8.495 -0.706 1.00 0.00 C ATOM 254 NE ARG A 20 -9.041 -9.699 -1.520 1.00 0.00 N ATOM 255 CZ ARG A 20 -8.042 -10.261 -2.192 1.00 0.00 C ATOM 256 NH1 ARG A 20 -6.828 -9.732 -2.148 1.00 0.00 N ATOM 257 NH2 ARG A 20 -8.258 -11.356 -2.910 1.00 0.00 N ATOM 0 H ARG A 20 -12.586 -8.005 -1.350 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.987 -8.461 1.503 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.515 -8.342 1.556 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.092 -9.525 0.398 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.785 -7.780 -1.418 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.035 -6.744 -0.220 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.190 -7.815 -1.191 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.458 -8.761 0.259 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.963 -10.131 -1.575 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.658 -8.891 -1.597 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.063 -10.166 -2.665 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.191 -11.766 -2.946 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.491 -11.787 -3.426 1.00 0.00 H new ATOM 271 N LYS A 21 -12.872 -6.158 2.377 1.00 0.00 N ATOM 272 CA LYS A 21 -12.875 -4.800 2.907 1.00 0.00 C ATOM 273 C LYS A 21 -11.877 -4.660 4.052 1.00 0.00 C ATOM 274 O LYS A 21 -11.353 -5.654 4.555 1.00 0.00 O ATOM 275 CB LYS A 21 -14.277 -4.422 3.391 1.00 0.00 C ATOM 276 CG LYS A 21 -14.673 -5.094 4.694 1.00 0.00 C ATOM 277 CD LYS A 21 -16.183 -5.176 4.843 1.00 0.00 C ATOM 278 CE LYS A 21 -16.579 -6.031 6.037 1.00 0.00 C ATOM 279 NZ LYS A 21 -16.512 -5.267 7.313 1.00 0.00 N ATOM 0 H LYS A 21 -13.262 -6.858 3.008 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.579 -4.124 2.105 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.329 -3.341 3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.002 -4.686 2.621 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.248 -6.097 4.731 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.253 -4.539 5.533 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.593 -4.173 4.960 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.617 -5.594 3.935 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.591 -6.409 5.893 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.920 -6.897 6.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.104 -5.869 8.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.915 -4.425 7.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.470 -4.973 7.592 1.00 0.00 H new ATOM 293 N MET A 22 -11.619 -3.422 4.459 1.00 0.00 N ATOM 294 CA MET A 22 -10.685 -3.154 5.546 1.00 0.00 C ATOM 295 C MET A 22 -11.408 -2.557 6.750 1.00 0.00 C ATOM 296 O MET A 22 -11.846 -1.407 6.714 1.00 0.00 O ATOM 297 CB MET A 22 -9.582 -2.203 5.077 1.00 0.00 C ATOM 298 CG MET A 22 -8.717 -2.777 3.966 1.00 0.00 C ATOM 299 SD MET A 22 -7.944 -4.340 4.425 1.00 0.00 S ATOM 300 CE MET A 22 -6.850 -3.804 5.738 1.00 0.00 C ATOM 0 H MET A 22 -12.044 -2.588 4.053 1.00 0.00 H new ATOM 0 HA MET A 22 -10.236 -4.101 5.846 1.00 0.00 H new ATOM 0 HB2 MET A 22 -10.037 -1.275 4.730 1.00 0.00 H new ATOM 0 HB3 MET A 22 -8.947 -1.949 5.926 1.00 0.00 H new ATOM 0 HG2 MET A 22 -9.328 -2.926 3.075 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.942 -2.056 3.705 1.00 0.00 H new ATOM 0 HE1 MET A 22 -6.141 -4.599 5.968 1.00 0.00 H new ATOM 0 HE2 MET A 22 -6.307 -2.915 5.419 1.00 0.00 H new ATOM 0 HE3 MET A 22 -7.436 -3.572 6.627 1.00 0.00 H new ATOM 310 N GLU A 23 -11.531 -3.346 7.812 1.00 0.00 N ATOM 311 CA GLU A 23 -12.203 -2.895 9.025 1.00 0.00 C ATOM 312 C GLU A 23 -11.236 -2.142 9.935 1.00 0.00 C ATOM 313 O GLU A 23 -10.278 -2.718 10.452 1.00 0.00 O ATOM 314 CB GLU A 23 -12.804 -4.085 9.775 1.00 0.00 C ATOM 315 CG GLU A 23 -14.132 -4.556 9.205 1.00 0.00 C ATOM 316 CD GLU A 23 -14.941 -5.362 10.203 1.00 0.00 C ATOM 317 OE1 GLU A 23 -14.644 -6.563 10.374 1.00 0.00 O ATOM 318 OE2 GLU A 23 -15.871 -4.793 10.811 1.00 0.00 O ATOM 0 H GLU A 23 -11.174 -4.301 7.857 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.005 -2.216 8.734 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.095 -4.913 9.754 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.944 -3.812 10.821 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.713 -3.691 8.885 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.948 -5.162 8.318 1.00 0.00 H new ATOM 325 N TYR A 24 -11.493 -0.853 10.124 1.00 0.00 N ATOM 326 CA TYR A 24 -10.645 -0.020 10.968 1.00 0.00 C ATOM 327 C TYR A 24 -11.486 0.915 11.832 1.00 0.00 C ATOM 328 O TYR A 24 -12.198 1.779 11.322 1.00 0.00 O ATOM 329 CB TYR A 24 -9.677 0.795 10.109 1.00 0.00 C ATOM 330 CG TYR A 24 -8.585 1.474 10.904 1.00 0.00 C ATOM 331 CD1 TYR A 24 -8.890 2.453 11.842 1.00 0.00 C ATOM 332 CD2 TYR A 24 -7.250 1.138 10.718 1.00 0.00 C ATOM 333 CE1 TYR A 24 -7.896 3.078 12.571 1.00 0.00 C ATOM 334 CE2 TYR A 24 -6.250 1.756 11.443 1.00 0.00 C ATOM 335 CZ TYR A 24 -6.578 2.725 12.368 1.00 0.00 C ATOM 336 OH TYR A 24 -5.584 3.344 13.092 1.00 0.00 O ATOM 0 H TYR A 24 -12.282 -0.362 9.704 1.00 0.00 H new ATOM 0 HA TYR A 24 -10.074 -0.676 11.624 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.221 0.138 9.368 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -10.239 1.551 9.561 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -9.921 2.730 12.004 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -6.990 0.380 9.994 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.150 3.838 13.295 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.217 1.482 11.286 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.713 2.980 12.830 1.00 0.00 H new ATOM 346 N LYS A 25 -11.398 0.735 13.146 1.00 0.00 N ATOM 347 CA LYS A 25 -12.147 1.561 14.084 1.00 0.00 C ATOM 348 C LYS A 25 -13.649 1.392 13.878 1.00 0.00 C ATOM 349 O LYS A 25 -14.413 2.350 13.992 1.00 0.00 O ATOM 350 CB LYS A 25 -11.762 3.033 13.919 1.00 0.00 C ATOM 351 CG LYS A 25 -10.423 3.385 14.543 1.00 0.00 C ATOM 352 CD LYS A 25 -10.562 3.693 16.025 1.00 0.00 C ATOM 353 CE LYS A 25 -9.344 4.433 16.557 1.00 0.00 C ATOM 354 NZ LYS A 25 -9.282 5.834 16.055 1.00 0.00 N ATOM 0 H LYS A 25 -10.814 0.023 13.585 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.897 1.237 15.094 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.733 3.275 12.857 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.537 3.655 14.367 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.728 2.557 14.406 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.997 4.247 14.030 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.456 4.295 16.190 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.696 2.764 16.580 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.370 4.439 17.647 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.439 3.901 16.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.626 6.385 16.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.947 5.835 15.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.229 6.261 16.099 1.00 0.00 H new ATOM 368 N GLY A 26 -14.067 0.166 13.576 1.00 0.00 N ATOM 369 CA GLY A 26 -15.476 -0.106 13.361 1.00 0.00 C ATOM 370 C GLY A 26 -15.899 0.128 11.925 1.00 0.00 C ATOM 371 O GLY A 26 -16.675 -0.646 11.365 1.00 0.00 O ATOM 0 H GLY A 26 -13.454 -0.644 13.476 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.689 -1.139 13.636 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -16.070 0.528 14.019 1.00 0.00 H new ATOM 375 N SER A 27 -15.389 1.200 11.327 1.00 0.00 N ATOM 376 CA SER A 27 -15.723 1.538 9.948 1.00 0.00 C ATOM 377 C SER A 27 -14.972 0.638 8.971 1.00 0.00 C ATOM 378 O SER A 27 -13.982 0.002 9.332 1.00 0.00 O ATOM 379 CB SER A 27 -15.393 3.005 9.665 1.00 0.00 C ATOM 380 OG SER A 27 -16.371 3.864 10.225 1.00 0.00 O ATOM 0 H SER A 27 -14.743 1.849 11.776 1.00 0.00 H new ATOM 0 HA SER A 27 -16.793 1.381 9.811 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.413 3.247 10.077 1.00 0.00 H new ATOM 0 HB3 SER A 27 -15.335 3.167 8.589 1.00 0.00 H new ATOM 0 HG SER A 27 -16.137 4.796 10.032 1.00 0.00 H new ATOM 386 N SER A 28 -15.450 0.592 7.732 1.00 0.00 N ATOM 387 CA SER A 28 -14.826 -0.232 6.703 1.00 0.00 C ATOM 388 C SER A 28 -14.447 0.610 5.489 1.00 0.00 C ATOM 389 O SER A 28 -14.993 1.692 5.275 1.00 0.00 O ATOM 390 CB SER A 28 -15.771 -1.360 6.281 1.00 0.00 C ATOM 391 OG SER A 28 -16.050 -2.225 7.368 1.00 0.00 O ATOM 0 H SER A 28 -16.267 1.115 7.416 1.00 0.00 H new ATOM 0 HA SER A 28 -13.917 -0.666 7.121 1.00 0.00 H new ATOM 0 HB2 SER A 28 -16.701 -0.937 5.901 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.323 -1.928 5.466 1.00 0.00 H new ATOM 0 HG SER A 28 -17.019 -2.352 7.445 1.00 0.00 H new ATOM 397 N TRP A 29 -13.508 0.105 4.697 1.00 0.00 N ATOM 398 CA TRP A 29 -13.054 0.810 3.504 1.00 0.00 C ATOM 399 C TRP A 29 -12.787 -0.166 2.363 1.00 0.00 C ATOM 400 O TRP A 29 -12.055 -1.142 2.527 1.00 0.00 O ATOM 401 CB TRP A 29 -11.789 1.614 3.811 1.00 0.00 C ATOM 402 CG TRP A 29 -12.066 2.919 4.492 1.00 0.00 C ATOM 403 CD1 TRP A 29 -12.116 4.154 3.910 1.00 0.00 C ATOM 404 CD2 TRP A 29 -12.328 3.120 5.885 1.00 0.00 C ATOM 405 NE1 TRP A 29 -12.394 5.110 4.857 1.00 0.00 N ATOM 406 CE2 TRP A 29 -12.529 4.501 6.077 1.00 0.00 C ATOM 407 CE3 TRP A 29 -12.415 2.268 6.989 1.00 0.00 C ATOM 408 CZ2 TRP A 29 -12.810 5.046 7.327 1.00 0.00 C ATOM 409 CZ3 TRP A 29 -12.693 2.811 8.229 1.00 0.00 C ATOM 410 CH2 TRP A 29 -12.889 4.189 8.390 1.00 0.00 C ATOM 0 H TRP A 29 -13.046 -0.790 4.859 1.00 0.00 H new ATOM 0 HA TRP A 29 -13.844 1.494 3.194 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -11.131 1.016 4.441 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -11.253 1.804 2.881 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -11.960 4.350 2.859 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -12.485 6.110 4.680 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -12.268 1.204 6.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -12.960 6.108 7.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -12.760 2.162 9.089 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -13.107 4.582 9.372 1.00 0.00 H new ATOM 421 N HIS A 30 -13.384 0.104 1.207 1.00 0.00 N ATOM 422 CA HIS A 30 -13.209 -0.751 0.038 1.00 0.00 C ATOM 423 C HIS A 30 -11.731 -1.030 -0.215 1.00 0.00 C ATOM 424 O HIS A 30 -10.874 -0.195 0.075 1.00 0.00 O ATOM 425 CB HIS A 30 -13.835 -0.099 -1.195 1.00 0.00 C ATOM 426 CG HIS A 30 -15.324 -0.252 -1.264 1.00 0.00 C ATOM 427 ND1 HIS A 30 -16.201 0.735 -0.868 1.00 0.00 N ATOM 428 CD2 HIS A 30 -16.089 -1.286 -1.687 1.00 0.00 C ATOM 429 CE1 HIS A 30 -17.441 0.315 -1.043 1.00 0.00 C ATOM 430 NE2 HIS A 30 -17.401 -0.909 -1.540 1.00 0.00 N ATOM 0 H HIS A 30 -13.993 0.908 1.054 1.00 0.00 H new ATOM 0 HA HIS A 30 -13.711 -1.699 0.233 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -13.587 0.962 -1.200 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -13.392 -0.534 -2.090 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -15.733 -2.231 -2.069 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -18.336 0.876 -0.818 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -18.212 -1.480 -1.776 1.00 0.00 H new ATOM 438 N GLU A 31 -11.440 -2.209 -0.755 1.00 0.00 N ATOM 439 CA GLU A 31 -10.065 -2.597 -1.045 1.00 0.00 C ATOM 440 C GLU A 31 -9.391 -1.576 -1.957 1.00 0.00 C ATOM 441 O GLU A 31 -8.165 -1.534 -2.064 1.00 0.00 O ATOM 442 CB GLU A 31 -10.028 -3.981 -1.697 1.00 0.00 C ATOM 443 CG GLU A 31 -10.428 -3.974 -3.163 1.00 0.00 C ATOM 444 CD GLU A 31 -10.365 -5.352 -3.792 1.00 0.00 C ATOM 445 OE1 GLU A 31 -9.476 -6.139 -3.406 1.00 0.00 O ATOM 446 OE2 GLU A 31 -11.203 -5.643 -4.670 1.00 0.00 O ATOM 0 H GLU A 31 -12.138 -2.912 -1.000 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.519 -2.632 -0.102 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.022 -4.390 -1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.694 -4.649 -1.151 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.441 -3.582 -3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.772 -3.298 -3.711 1.00 0.00 H new ATOM 453 N THR A 32 -10.202 -0.751 -2.613 1.00 0.00 N ATOM 454 CA THR A 32 -9.686 0.269 -3.517 1.00 0.00 C ATOM 455 C THR A 32 -9.815 1.660 -2.906 1.00 0.00 C ATOM 456 O THR A 32 -9.249 2.628 -3.415 1.00 0.00 O ATOM 457 CB THR A 32 -10.422 0.245 -4.869 1.00 0.00 C ATOM 458 OG1 THR A 32 -11.811 0.537 -4.677 1.00 0.00 O ATOM 459 CG2 THR A 32 -10.272 -1.110 -5.543 1.00 0.00 C ATOM 0 H THR A 32 -11.219 -0.770 -2.535 1.00 0.00 H new ATOM 0 HA THR A 32 -8.632 0.043 -3.681 1.00 0.00 H new ATOM 0 HB THR A 32 -9.978 1.004 -5.512 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.271 0.521 -5.542 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.800 -1.103 -6.496 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.216 -1.316 -5.715 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.692 -1.884 -4.901 1.00 0.00 H new ATOM 467 N CYS A 33 -10.562 1.754 -1.811 1.00 0.00 N ATOM 468 CA CYS A 33 -10.764 3.027 -1.129 1.00 0.00 C ATOM 469 C CYS A 33 -9.733 3.221 -0.021 1.00 0.00 C ATOM 470 O CYS A 33 -9.434 4.348 0.373 1.00 0.00 O ATOM 471 CB CYS A 33 -12.176 3.097 -0.545 1.00 0.00 C ATOM 472 SG CYS A 33 -13.465 3.514 -1.763 1.00 0.00 S ATOM 0 H CYS A 33 -11.038 0.963 -1.377 1.00 0.00 H new ATOM 0 HA CYS A 33 -10.640 3.826 -1.860 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -12.418 2.136 -0.091 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -12.191 3.840 0.253 1.00 0.00 H new ATOM 477 N PHE A 34 -9.193 2.114 0.477 1.00 0.00 N ATOM 478 CA PHE A 34 -8.195 2.161 1.540 1.00 0.00 C ATOM 479 C PHE A 34 -6.809 2.451 0.972 1.00 0.00 C ATOM 480 O PHE A 34 -5.796 2.238 1.640 1.00 0.00 O ATOM 481 CB PHE A 34 -8.177 0.840 2.310 1.00 0.00 C ATOM 482 CG PHE A 34 -7.399 0.904 3.593 1.00 0.00 C ATOM 483 CD1 PHE A 34 -7.934 1.520 4.713 1.00 0.00 C ATOM 484 CD2 PHE A 34 -6.132 0.349 3.679 1.00 0.00 C ATOM 485 CE1 PHE A 34 -7.219 1.582 5.895 1.00 0.00 C ATOM 486 CE2 PHE A 34 -5.413 0.408 4.858 1.00 0.00 C ATOM 487 CZ PHE A 34 -5.958 1.024 5.968 1.00 0.00 C ATOM 0 H PHE A 34 -9.429 1.173 0.162 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.465 2.967 2.222 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -9.202 0.543 2.531 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.751 0.064 1.674 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.921 1.957 4.662 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.702 -0.135 2.815 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.646 2.066 6.760 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.426 -0.027 4.911 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.399 1.069 6.891 1.00 0.00 H new ATOM 497 N ILE A 35 -6.772 2.936 -0.264 1.00 0.00 N ATOM 498 CA ILE A 35 -5.511 3.255 -0.922 1.00 0.00 C ATOM 499 C ILE A 35 -4.639 4.142 -0.039 1.00 0.00 C ATOM 500 O ILE A 35 -5.084 4.631 1.000 1.00 0.00 O ATOM 501 CB ILE A 35 -5.742 3.961 -2.271 1.00 0.00 C ATOM 502 CG1 ILE A 35 -6.717 5.128 -2.100 1.00 0.00 C ATOM 503 CG2 ILE A 35 -6.265 2.974 -3.303 1.00 0.00 C ATOM 504 CD1 ILE A 35 -6.045 6.425 -1.707 1.00 0.00 C ATOM 0 H ILE A 35 -7.601 3.117 -0.830 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.000 2.309 -1.100 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.790 4.356 -2.625 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.259 5.278 -3.034 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.455 4.866 -1.342 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.423 3.488 -4.251 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.539 2.173 -3.441 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.209 2.552 -2.957 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.797 7.208 -1.604 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.526 6.293 -0.758 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.327 6.711 -2.476 1.00 0.00 H new ATOM 516 N CYS A 36 -3.396 4.348 -0.460 1.00 0.00 N ATOM 517 CA CYS A 36 -2.461 5.177 0.291 1.00 0.00 C ATOM 518 C CYS A 36 -2.801 6.657 0.135 1.00 0.00 C ATOM 519 O CYS A 36 -3.596 7.035 -0.726 1.00 0.00 O ATOM 520 CB CYS A 36 -1.028 4.920 -0.179 1.00 0.00 C ATOM 521 SG CYS A 36 0.250 5.569 0.946 1.00 0.00 S ATOM 0 H CYS A 36 -3.012 3.952 -1.318 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.544 4.912 1.345 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.882 3.846 -0.296 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.893 5.369 -1.163 1.00 0.00 H new ATOM 526 N HIS A 37 -2.193 7.489 0.974 1.00 0.00 N ATOM 527 CA HIS A 37 -2.430 8.928 0.930 1.00 0.00 C ATOM 528 C HIS A 37 -1.276 9.648 0.239 1.00 0.00 C ATOM 529 O HIS A 37 -1.386 10.822 -0.115 1.00 0.00 O ATOM 530 CB HIS A 37 -2.617 9.479 2.344 1.00 0.00 C ATOM 531 CG HIS A 37 -4.042 9.476 2.804 1.00 0.00 C ATOM 532 ND1 HIS A 37 -4.596 10.499 3.545 1.00 0.00 N ATOM 533 CD2 HIS A 37 -5.028 8.567 2.625 1.00 0.00 C ATOM 534 CE1 HIS A 37 -5.861 10.218 3.802 1.00 0.00 C ATOM 535 NE2 HIS A 37 -6.148 9.051 3.254 1.00 0.00 N ATOM 0 H HIS A 37 -1.533 7.192 1.692 1.00 0.00 H new ATOM 0 HA HIS A 37 -3.340 9.104 0.356 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -2.019 8.888 3.037 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -2.234 10.499 2.381 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.949 7.634 2.087 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -6.544 10.837 4.364 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -7.055 8.585 3.292 1.00 0.00 H new ATOM 544 N ARG A 38 -0.169 8.936 0.050 1.00 0.00 N ATOM 545 CA ARG A 38 1.006 9.508 -0.597 1.00 0.00 C ATOM 546 C ARG A 38 1.149 8.987 -2.024 1.00 0.00 C ATOM 547 O ARG A 38 1.235 9.764 -2.974 1.00 0.00 O ATOM 548 CB ARG A 38 2.266 9.180 0.206 1.00 0.00 C ATOM 549 CG ARG A 38 3.438 10.098 -0.099 1.00 0.00 C ATOM 550 CD ARG A 38 4.538 9.964 0.944 1.00 0.00 C ATOM 551 NE ARG A 38 5.815 10.484 0.463 1.00 0.00 N ATOM 552 CZ ARG A 38 6.059 11.777 0.278 1.00 0.00 C ATOM 553 NH1 ARG A 38 5.118 12.675 0.533 1.00 0.00 N ATOM 554 NH2 ARG A 38 7.246 12.173 -0.162 1.00 0.00 N ATOM 0 H ARG A 38 -0.062 7.963 0.336 1.00 0.00 H new ATOM 0 HA ARG A 38 0.879 10.590 -0.635 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.035 9.241 1.270 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.559 8.150 0.002 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.839 9.862 -1.085 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.093 11.131 -0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.247 10.498 1.848 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.653 8.915 1.216 1.00 0.00 H new ATOM 0 HE ARG A 38 6.560 9.818 0.258 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.204 12.374 0.872 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.308 13.667 0.390 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.973 11.485 -0.359 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.432 13.166 -0.304 1.00 0.00 H new ATOM 568 N CYS A 39 1.174 7.666 -2.166 1.00 0.00 N ATOM 569 CA CYS A 39 1.307 7.039 -3.475 1.00 0.00 C ATOM 570 C CYS A 39 -0.063 6.717 -4.066 1.00 0.00 C ATOM 571 O CYS A 39 -0.168 6.281 -5.212 1.00 0.00 O ATOM 572 CB CYS A 39 2.143 5.762 -3.370 1.00 0.00 C ATOM 573 SG CYS A 39 1.457 4.516 -2.233 1.00 0.00 S ATOM 0 H CYS A 39 1.104 7.009 -1.389 1.00 0.00 H new ATOM 0 HA CYS A 39 1.812 7.742 -4.137 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.238 5.320 -4.362 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.148 6.025 -3.041 1.00 0.00 H new ATOM 578 N GLN A 40 -1.108 6.934 -3.275 1.00 0.00 N ATOM 579 CA GLN A 40 -2.471 6.666 -3.719 1.00 0.00 C ATOM 580 C GLN A 40 -2.587 5.262 -4.303 1.00 0.00 C ATOM 581 O GLN A 40 -3.212 5.063 -5.344 1.00 0.00 O ATOM 582 CB GLN A 40 -2.903 7.701 -4.759 1.00 0.00 C ATOM 583 CG GLN A 40 -3.251 9.055 -4.162 1.00 0.00 C ATOM 584 CD GLN A 40 -4.593 9.054 -3.456 1.00 0.00 C ATOM 585 OE1 GLN A 40 -5.612 8.676 -4.034 1.00 0.00 O ATOM 586 NE2 GLN A 40 -4.600 9.478 -2.197 1.00 0.00 N ATOM 0 H GLN A 40 -1.037 7.295 -2.323 1.00 0.00 H new ATOM 0 HA GLN A 40 -3.129 6.735 -2.853 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.101 7.829 -5.486 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.768 7.319 -5.302 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.474 9.347 -3.456 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.261 9.805 -4.953 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.732 9.782 -1.757 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -5.474 9.499 -1.671 1.00 0.00 H new ATOM 595 N GLN A 41 -1.979 4.293 -3.626 1.00 0.00 N ATOM 596 CA GLN A 41 -2.014 2.908 -4.079 1.00 0.00 C ATOM 597 C GLN A 41 -2.771 2.030 -3.089 1.00 0.00 C ATOM 598 O GLN A 41 -2.728 2.239 -1.877 1.00 0.00 O ATOM 599 CB GLN A 41 -0.592 2.375 -4.267 1.00 0.00 C ATOM 600 CG GLN A 41 0.215 3.145 -5.300 1.00 0.00 C ATOM 601 CD GLN A 41 -0.513 3.285 -6.623 1.00 0.00 C ATOM 602 OE1 GLN A 41 -1.276 2.405 -7.021 1.00 0.00 O ATOM 603 NE2 GLN A 41 -0.281 4.396 -7.312 1.00 0.00 N ATOM 0 H GLN A 41 -1.457 4.442 -2.763 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.536 2.878 -5.036 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.070 2.410 -3.311 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.642 1.328 -4.564 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.446 4.136 -4.910 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.166 2.638 -5.465 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.359 5.100 -6.944 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.743 4.546 -8.209 1.00 0.00 H new ATOM 612 N PRO A 42 -3.484 1.022 -3.615 1.00 0.00 N ATOM 613 CA PRO A 42 -4.265 0.092 -2.795 1.00 0.00 C ATOM 614 C PRO A 42 -3.381 -0.835 -1.968 1.00 0.00 C ATOM 615 O PRO A 42 -3.157 -1.988 -2.339 1.00 0.00 O ATOM 616 CB PRO A 42 -5.062 -0.709 -3.828 1.00 0.00 C ATOM 617 CG PRO A 42 -4.250 -0.633 -5.074 1.00 0.00 C ATOM 618 CD PRO A 42 -3.581 0.714 -5.052 1.00 0.00 C ATOM 0 HA PRO A 42 -4.887 0.614 -2.068 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.200 -1.742 -3.508 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.056 -0.286 -3.976 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.512 -1.435 -5.108 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.880 -0.741 -5.957 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.599 0.683 -5.524 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.167 1.463 -5.585 1.00 0.00 H new ATOM 626 N ILE A 43 -2.881 -0.325 -0.848 1.00 0.00 N ATOM 627 CA ILE A 43 -2.023 -1.109 0.031 1.00 0.00 C ATOM 628 C ILE A 43 -2.539 -2.537 0.174 1.00 0.00 C ATOM 629 O ILE A 43 -1.824 -3.498 -0.108 1.00 0.00 O ATOM 630 CB ILE A 43 -1.917 -0.472 1.429 1.00 0.00 C ATOM 631 CG1 ILE A 43 -1.344 0.943 1.327 1.00 0.00 C ATOM 632 CG2 ILE A 43 -1.054 -1.333 2.340 1.00 0.00 C ATOM 633 CD1 ILE A 43 -1.651 1.808 2.529 1.00 0.00 C ATOM 0 H ILE A 43 -3.055 0.628 -0.528 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.034 -1.127 -0.428 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.916 -0.409 1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.263 0.880 1.201 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.741 1.423 0.433 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.989 -0.869 3.324 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.500 -2.323 2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.054 -1.424 1.915 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.214 2.796 2.387 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.731 1.902 2.644 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.230 1.350 3.424 1.00 0.00 H new ATOM 645 N GLY A 44 -3.788 -2.668 0.611 1.00 0.00 N ATOM 646 CA GLY A 44 -4.380 -3.982 0.781 1.00 0.00 C ATOM 647 C GLY A 44 -3.831 -4.713 1.991 1.00 0.00 C ATOM 648 O GLY A 44 -4.059 -4.304 3.130 1.00 0.00 O ATOM 0 H GLY A 44 -4.400 -1.888 0.850 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.461 -3.880 0.881 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.198 -4.578 -0.113 1.00 0.00 H new ATOM 652 N THR A 45 -3.106 -5.800 1.745 1.00 0.00 N ATOM 653 CA THR A 45 -2.525 -6.591 2.822 1.00 0.00 C ATOM 654 C THR A 45 -1.006 -6.643 2.710 1.00 0.00 C ATOM 655 O THR A 45 -0.447 -7.575 2.130 1.00 0.00 O ATOM 656 CB THR A 45 -3.078 -8.029 2.824 1.00 0.00 C ATOM 657 OG1 THR A 45 -2.970 -8.597 1.514 1.00 0.00 O ATOM 658 CG2 THR A 45 -4.531 -8.050 3.273 1.00 0.00 C ATOM 0 H THR A 45 -2.907 -6.152 0.809 1.00 0.00 H new ATOM 0 HA THR A 45 -2.800 -6.102 3.756 1.00 0.00 H new ATOM 0 HB THR A 45 -2.489 -8.620 3.526 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.036 -8.566 1.220 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.899 -9.076 3.266 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.606 -7.644 4.282 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.131 -7.445 2.593 1.00 0.00 H new ATOM 666 N LYS A 46 -0.342 -5.637 3.267 1.00 0.00 N ATOM 667 CA LYS A 46 1.115 -5.568 3.231 1.00 0.00 C ATOM 668 C LYS A 46 1.638 -4.577 4.266 1.00 0.00 C ATOM 669 O LYS A 46 0.922 -3.667 4.686 1.00 0.00 O ATOM 670 CB LYS A 46 1.592 -5.163 1.835 1.00 0.00 C ATOM 671 CG LYS A 46 1.482 -3.673 1.563 1.00 0.00 C ATOM 672 CD LYS A 46 1.510 -3.375 0.073 1.00 0.00 C ATOM 673 CE LYS A 46 2.935 -3.223 -0.439 1.00 0.00 C ATOM 674 NZ LYS A 46 3.586 -1.992 0.090 1.00 0.00 N ATOM 0 H LYS A 46 -0.789 -4.857 3.749 1.00 0.00 H new ATOM 0 HA LYS A 46 1.507 -6.557 3.470 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.630 -5.471 1.712 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.009 -5.704 1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.557 -3.291 1.994 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.303 -3.151 2.055 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.011 -4.178 -0.469 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.951 -2.461 -0.127 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.520 -4.096 -0.150 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.928 -3.191 -1.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.361 -1.709 -0.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.886 -1.225 0.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.967 -2.181 1.039 1.00 0.00 H new ATOM 688 N SER A 47 2.890 -4.759 4.673 1.00 0.00 N ATOM 689 CA SER A 47 3.508 -3.882 5.660 1.00 0.00 C ATOM 690 C SER A 47 3.143 -2.424 5.397 1.00 0.00 C ATOM 691 O SER A 47 3.657 -1.801 4.468 1.00 0.00 O ATOM 692 CB SER A 47 5.029 -4.049 5.642 1.00 0.00 C ATOM 693 OG SER A 47 5.418 -5.247 6.291 1.00 0.00 O ATOM 0 H SER A 47 3.496 -5.506 4.334 1.00 0.00 H new ATOM 0 HA SER A 47 3.130 -4.162 6.643 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.385 -4.058 4.612 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.497 -3.197 6.134 1.00 0.00 H new ATOM 0 HG SER A 47 6.394 -5.331 6.265 1.00 0.00 H new ATOM 699 N PHE A 48 2.250 -1.886 6.221 1.00 0.00 N ATOM 700 CA PHE A 48 1.814 -0.502 6.078 1.00 0.00 C ATOM 701 C PHE A 48 1.564 0.133 7.443 1.00 0.00 C ATOM 702 O PHE A 48 1.056 -0.516 8.357 1.00 0.00 O ATOM 703 CB PHE A 48 0.543 -0.431 5.229 1.00 0.00 C ATOM 704 CG PHE A 48 -0.720 -0.593 6.026 1.00 0.00 C ATOM 705 CD1 PHE A 48 -1.180 -1.854 6.370 1.00 0.00 C ATOM 706 CD2 PHE A 48 -1.447 0.515 6.430 1.00 0.00 C ATOM 707 CE1 PHE A 48 -2.342 -2.006 7.103 1.00 0.00 C ATOM 708 CE2 PHE A 48 -2.610 0.369 7.163 1.00 0.00 C ATOM 709 CZ PHE A 48 -3.057 -0.894 7.501 1.00 0.00 C ATOM 0 H PHE A 48 1.814 -2.388 6.995 1.00 0.00 H new ATOM 0 HA PHE A 48 2.608 0.053 5.578 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.515 0.527 4.710 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.583 -1.207 4.464 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.625 -2.728 6.062 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.101 1.504 6.169 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.690 -2.994 7.364 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.168 1.241 7.471 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.964 -1.011 8.075 1.00 0.00 H new ATOM 719 N ILE A 49 1.924 1.406 7.571 1.00 0.00 N ATOM 720 CA ILE A 49 1.739 2.129 8.823 1.00 0.00 C ATOM 721 C ILE A 49 0.463 2.963 8.792 1.00 0.00 C ATOM 722 O ILE A 49 0.387 4.004 8.139 1.00 0.00 O ATOM 723 CB ILE A 49 2.935 3.052 9.122 1.00 0.00 C ATOM 724 CG1 ILE A 49 4.207 2.226 9.325 1.00 0.00 C ATOM 725 CG2 ILE A 49 2.651 3.906 10.349 1.00 0.00 C ATOM 726 CD1 ILE A 49 4.976 1.979 8.046 1.00 0.00 C ATOM 0 H ILE A 49 2.345 1.957 6.823 1.00 0.00 H new ATOM 0 HA ILE A 49 1.662 1.380 9.612 1.00 0.00 H new ATOM 0 HB ILE A 49 3.086 3.714 8.269 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.855 2.739 10.036 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.941 1.268 9.771 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.505 4.553 10.548 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.767 4.518 10.170 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.477 3.260 11.210 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.865 1.388 8.265 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.345 1.438 7.341 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.273 2.933 7.610 1.00 0.00 H new ATOM 738 N PRO A 50 -0.566 2.498 9.517 1.00 0.00 N ATOM 739 CA PRO A 50 -1.858 3.187 9.591 1.00 0.00 C ATOM 740 C PRO A 50 -1.773 4.495 10.370 1.00 0.00 C ATOM 741 O PRO A 50 -1.416 4.506 11.548 1.00 0.00 O ATOM 742 CB PRO A 50 -2.753 2.184 10.324 1.00 0.00 C ATOM 743 CG PRO A 50 -1.812 1.354 11.127 1.00 0.00 C ATOM 744 CD PRO A 50 -0.546 1.264 10.320 1.00 0.00 C ATOM 0 HA PRO A 50 -2.228 3.468 8.605 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.477 2.691 10.962 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.320 1.573 9.622 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.623 1.809 12.099 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.227 0.364 11.313 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.336 1.215 10.959 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -0.533 0.375 9.690 1.00 0.00 H new ATOM 752 N LYS A 51 -2.105 5.596 9.705 1.00 0.00 N ATOM 753 CA LYS A 51 -2.069 6.911 10.335 1.00 0.00 C ATOM 754 C LYS A 51 -3.383 7.207 11.051 1.00 0.00 C ATOM 755 O LYS A 51 -4.433 6.679 10.685 1.00 0.00 O ATOM 756 CB LYS A 51 -1.791 7.993 9.289 1.00 0.00 C ATOM 757 CG LYS A 51 -1.606 9.379 9.882 1.00 0.00 C ATOM 758 CD LYS A 51 -0.187 9.586 10.384 1.00 0.00 C ATOM 759 CE LYS A 51 0.133 11.063 10.557 1.00 0.00 C ATOM 760 NZ LYS A 51 0.616 11.678 9.290 1.00 0.00 N ATOM 0 H LYS A 51 -2.402 5.604 8.729 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.266 6.912 11.072 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.895 7.724 8.729 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.616 8.019 8.577 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.840 10.132 9.129 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.308 9.521 10.704 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.058 9.071 11.336 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.517 9.140 9.682 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.758 11.590 10.900 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.892 11.182 11.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.839 12.680 9.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.471 11.181 8.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.124 11.603 8.563 1.00 0.00 H new ATOM 774 N ASP A 52 -3.316 8.055 12.072 1.00 0.00 N ATOM 775 CA ASP A 52 -4.501 8.423 12.838 1.00 0.00 C ATOM 776 C ASP A 52 -5.742 8.431 11.950 1.00 0.00 C ATOM 777 O ASP A 52 -6.640 7.607 12.117 1.00 0.00 O ATOM 778 CB ASP A 52 -4.311 9.798 13.481 1.00 0.00 C ATOM 779 CG ASP A 52 -3.498 9.732 14.759 1.00 0.00 C ATOM 780 OD1 ASP A 52 -4.058 9.326 15.798 1.00 0.00 O ATOM 781 OD2 ASP A 52 -2.300 10.086 14.719 1.00 0.00 O ATOM 0 H ASP A 52 -2.454 8.500 12.388 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.642 7.679 13.622 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.816 10.462 12.773 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.287 10.233 13.697 1.00 0.00 H new ATOM 786 N ASN A 53 -5.783 9.367 11.008 1.00 0.00 N ATOM 787 CA ASN A 53 -6.914 9.482 10.094 1.00 0.00 C ATOM 788 C ASN A 53 -6.461 9.332 8.645 1.00 0.00 C ATOM 789 O ASN A 53 -7.075 9.884 7.733 1.00 0.00 O ATOM 790 CB ASN A 53 -7.614 10.829 10.284 1.00 0.00 C ATOM 791 CG ASN A 53 -7.811 11.177 11.747 1.00 0.00 C ATOM 792 OD1 ASN A 53 -8.516 10.476 12.474 1.00 0.00 O ATOM 793 ND2 ASN A 53 -7.189 12.265 12.185 1.00 0.00 N ATOM 0 H ASN A 53 -5.047 10.057 10.857 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.616 8.679 10.321 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.027 11.611 9.803 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.583 10.805 9.785 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.285 12.550 13.160 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.615 12.816 11.547 1.00 0.00 H new ATOM 800 N GLN A 54 -5.385 8.579 8.443 1.00 0.00 N ATOM 801 CA GLN A 54 -4.850 8.356 7.105 1.00 0.00 C ATOM 802 C GLN A 54 -4.089 7.036 7.036 1.00 0.00 C ATOM 803 O GLN A 54 -3.926 6.349 8.043 1.00 0.00 O ATOM 804 CB GLN A 54 -3.930 9.510 6.701 1.00 0.00 C ATOM 805 CG GLN A 54 -4.607 10.871 6.743 1.00 0.00 C ATOM 806 CD GLN A 54 -3.684 11.995 6.318 1.00 0.00 C ATOM 807 OE1 GLN A 54 -2.514 12.031 6.699 1.00 0.00 O ATOM 808 NE2 GLN A 54 -4.206 12.922 5.524 1.00 0.00 N ATOM 0 H GLN A 54 -4.867 8.113 9.188 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.688 8.308 6.410 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.065 9.523 7.364 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.556 9.330 5.693 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.481 10.858 6.092 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.966 11.063 7.754 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.181 12.853 5.232 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.632 13.703 5.206 1.00 0.00 H new ATOM 817 N ASN A 55 -3.625 6.688 5.840 1.00 0.00 N ATOM 818 CA ASN A 55 -2.882 5.449 5.639 1.00 0.00 C ATOM 819 C ASN A 55 -1.639 5.692 4.788 1.00 0.00 C ATOM 820 O ASN A 55 -1.717 6.288 3.713 1.00 0.00 O ATOM 821 CB ASN A 55 -3.772 4.398 4.974 1.00 0.00 C ATOM 822 CG ASN A 55 -5.212 4.478 5.445 1.00 0.00 C ATOM 823 OD1 ASN A 55 -5.539 3.710 6.478 1.00 0.00 O flip ATOM 824 ND2 ASN A 55 -6.019 5.221 4.887 1.00 0.00 N flip ATOM 0 H ASN A 55 -3.750 7.246 4.996 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.566 5.082 6.615 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.739 4.529 3.892 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.378 3.404 5.187 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.723 5.794 4.096 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.984 5.264 5.215 1.00 0.00 H new ATOM 831 N PHE A 56 -0.494 5.226 5.275 1.00 0.00 N ATOM 832 CA PHE A 56 0.765 5.392 4.559 1.00 0.00 C ATOM 833 C PHE A 56 1.600 4.117 4.624 1.00 0.00 C ATOM 834 O PHE A 56 1.752 3.514 5.688 1.00 0.00 O ATOM 835 CB PHE A 56 1.557 6.564 5.142 1.00 0.00 C ATOM 836 CG PHE A 56 0.871 7.891 4.980 1.00 0.00 C ATOM 837 CD1 PHE A 56 1.054 8.643 3.831 1.00 0.00 C ATOM 838 CD2 PHE A 56 0.045 8.385 5.976 1.00 0.00 C ATOM 839 CE1 PHE A 56 0.424 9.864 3.678 1.00 0.00 C ATOM 840 CE2 PHE A 56 -0.587 9.605 5.828 1.00 0.00 C ATOM 841 CZ PHE A 56 -0.397 10.346 4.678 1.00 0.00 C ATOM 0 H PHE A 56 -0.412 4.730 6.163 1.00 0.00 H new ATOM 0 HA PHE A 56 0.535 5.602 3.514 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.733 6.382 6.202 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.534 6.608 4.660 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.696 8.271 3.046 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.107 7.811 6.878 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.574 10.440 2.777 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.229 9.979 6.611 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.889 11.300 4.561 1.00 0.00 H new ATOM 851 N CYS A 57 2.140 3.711 3.480 1.00 0.00 N ATOM 852 CA CYS A 57 2.959 2.507 3.405 1.00 0.00 C ATOM 853 C CYS A 57 4.247 2.675 4.205 1.00 0.00 C ATOM 854 O CYS A 57 4.471 3.710 4.833 1.00 0.00 O ATOM 855 CB CYS A 57 3.289 2.180 1.947 1.00 0.00 C ATOM 856 SG CYS A 57 1.938 2.540 0.779 1.00 0.00 S ATOM 0 H CYS A 57 2.025 4.198 2.591 1.00 0.00 H new ATOM 0 HA CYS A 57 2.390 1.683 3.835 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.172 2.746 1.650 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.547 1.124 1.872 1.00 0.00 H new ATOM 861 N VAL A 58 5.093 1.650 4.176 1.00 0.00 N ATOM 862 CA VAL A 58 6.360 1.684 4.897 1.00 0.00 C ATOM 863 C VAL A 58 7.296 2.737 4.314 1.00 0.00 C ATOM 864 O VAL A 58 7.856 3.568 5.028 1.00 0.00 O ATOM 865 CB VAL A 58 7.062 0.313 4.862 1.00 0.00 C ATOM 866 CG1 VAL A 58 8.524 0.452 5.261 1.00 0.00 C ATOM 867 CG2 VAL A 58 6.345 -0.675 5.769 1.00 0.00 C ATOM 0 H VAL A 58 4.924 0.786 3.661 1.00 0.00 H new ATOM 0 HA VAL A 58 6.129 1.940 5.931 1.00 0.00 H new ATOM 0 HB VAL A 58 7.023 -0.071 3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.004 -0.526 5.231 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.028 1.125 4.568 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.589 0.857 6.271 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.854 -1.638 5.732 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.351 -0.300 6.792 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.315 -0.796 5.433 1.00 0.00 H new ATOM 877 N PRO A 59 7.470 2.703 2.985 1.00 0.00 N ATOM 878 CA PRO A 59 8.337 3.649 2.275 1.00 0.00 C ATOM 879 C PRO A 59 7.765 5.062 2.263 1.00 0.00 C ATOM 880 O PRO A 59 8.476 6.028 1.984 1.00 0.00 O ATOM 881 CB PRO A 59 8.392 3.082 0.855 1.00 0.00 C ATOM 882 CG PRO A 59 7.132 2.301 0.709 1.00 0.00 C ATOM 883 CD PRO A 59 6.833 1.739 2.071 1.00 0.00 C ATOM 0 HA PRO A 59 9.314 3.742 2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.452 3.878 0.113 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.268 2.449 0.715 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.317 2.936 0.362 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.250 1.504 -0.025 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.760 1.665 2.249 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.246 0.737 2.192 1.00 0.00 H new ATOM 891 N CYS A 60 6.477 5.177 2.568 1.00 0.00 N ATOM 892 CA CYS A 60 5.809 6.473 2.593 1.00 0.00 C ATOM 893 C CYS A 60 5.834 7.072 3.996 1.00 0.00 C ATOM 894 O CYS A 60 6.274 8.205 4.191 1.00 0.00 O ATOM 895 CB CYS A 60 4.363 6.334 2.112 1.00 0.00 C ATOM 896 SG CYS A 60 4.204 5.809 0.375 1.00 0.00 S ATOM 0 H CYS A 60 5.874 4.388 2.801 1.00 0.00 H new ATOM 0 HA CYS A 60 6.346 7.143 1.922 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.848 5.613 2.747 1.00 0.00 H new ATOM 0 HB3 CYS A 60 3.856 7.290 2.239 1.00 0.00 H new ATOM 901 N TYR A 61 5.360 6.303 4.970 1.00 0.00 N ATOM 902 CA TYR A 61 5.326 6.758 6.355 1.00 0.00 C ATOM 903 C TYR A 61 6.728 7.099 6.850 1.00 0.00 C ATOM 904 O TYR A 61 6.957 8.175 7.403 1.00 0.00 O ATOM 905 CB TYR A 61 4.704 5.685 7.250 1.00 0.00 C ATOM 906 CG TYR A 61 4.364 6.178 8.639 1.00 0.00 C ATOM 907 CD1 TYR A 61 3.341 7.097 8.839 1.00 0.00 C ATOM 908 CD2 TYR A 61 5.066 5.726 9.749 1.00 0.00 C ATOM 909 CE1 TYR A 61 3.027 7.551 10.106 1.00 0.00 C ATOM 910 CE2 TYR A 61 4.758 6.174 11.020 1.00 0.00 C ATOM 911 CZ TYR A 61 3.738 7.086 11.193 1.00 0.00 C ATOM 912 OH TYR A 61 3.429 7.536 12.456 1.00 0.00 O ATOM 0 H TYR A 61 4.994 5.362 4.826 1.00 0.00 H new ATOM 0 HA TYR A 61 4.715 7.659 6.401 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.798 5.308 6.775 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.395 4.846 7.330 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.782 7.463 7.990 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.866 5.013 9.617 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.229 8.266 10.244 1.00 0.00 H new ATOM 0 HE2 TYR A 61 5.313 5.812 11.873 1.00 0.00 H new ATOM 0 HH TYR A 61 4.022 7.110 13.109 1.00 0.00 H new ATOM 922 N GLU A 62 7.662 6.175 6.647 1.00 0.00 N ATOM 923 CA GLU A 62 9.042 6.378 7.073 1.00 0.00 C ATOM 924 C GLU A 62 9.587 7.700 6.539 1.00 0.00 C ATOM 925 O GLU A 62 10.340 8.395 7.221 1.00 0.00 O ATOM 926 CB GLU A 62 9.922 5.221 6.597 1.00 0.00 C ATOM 927 CG GLU A 62 9.638 3.908 7.307 1.00 0.00 C ATOM 928 CD GLU A 62 9.960 3.965 8.788 1.00 0.00 C ATOM 929 OE1 GLU A 62 11.151 4.124 9.129 1.00 0.00 O ATOM 930 OE2 GLU A 62 9.023 3.849 9.605 1.00 0.00 O ATOM 0 H GLU A 62 7.488 5.279 6.191 1.00 0.00 H new ATOM 0 HA GLU A 62 9.058 6.412 8.162 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.778 5.083 5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.969 5.486 6.747 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.587 3.649 7.177 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.222 3.114 6.842 1.00 0.00 H new ATOM 937 N LYS A 63 9.202 8.040 5.314 1.00 0.00 N ATOM 938 CA LYS A 63 9.651 9.277 4.686 1.00 0.00 C ATOM 939 C LYS A 63 9.067 10.492 5.400 1.00 0.00 C ATOM 940 O LYS A 63 9.801 11.306 5.959 1.00 0.00 O ATOM 941 CB LYS A 63 9.250 9.298 3.209 1.00 0.00 C ATOM 942 CG LYS A 63 10.184 8.502 2.314 1.00 0.00 C ATOM 943 CD LYS A 63 9.801 8.636 0.849 1.00 0.00 C ATOM 944 CE LYS A 63 10.396 9.891 0.230 1.00 0.00 C ATOM 945 NZ LYS A 63 10.492 9.786 -1.252 1.00 0.00 N ATOM 0 H LYS A 63 8.579 7.476 4.736 1.00 0.00 H new ATOM 0 HA LYS A 63 10.738 9.321 4.762 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.240 8.901 3.110 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.222 10.331 2.863 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.208 8.847 2.456 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.159 7.451 2.603 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.146 7.760 0.300 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.715 8.663 0.757 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.782 10.752 0.494 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.388 10.066 0.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.902 10.661 -1.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.098 8.979 -1.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.543 9.644 -1.652 1.00 0.00 H new ATOM 959 N GLN A 64 7.743 10.606 5.377 1.00 0.00 N ATOM 960 CA GLN A 64 7.062 11.722 6.023 1.00 0.00 C ATOM 961 C GLN A 64 7.426 11.799 7.502 1.00 0.00 C ATOM 962 O GLN A 64 7.359 12.866 8.113 1.00 0.00 O ATOM 963 CB GLN A 64 5.547 11.582 5.865 1.00 0.00 C ATOM 964 CG GLN A 64 4.993 10.284 6.431 1.00 0.00 C ATOM 965 CD GLN A 64 3.499 10.344 6.677 1.00 0.00 C ATOM 966 OE1 GLN A 64 3.051 10.742 7.753 1.00 0.00 O ATOM 967 NE2 GLN A 64 2.717 9.950 5.678 1.00 0.00 N ATOM 0 H GLN A 64 7.121 9.940 4.919 1.00 0.00 H new ATOM 0 HA GLN A 64 7.387 12.643 5.539 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.059 12.422 6.360 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.293 11.645 4.807 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.211 9.469 5.741 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.502 10.054 7.367 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.131 9.627 4.803 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.703 9.970 5.786 1.00 0.00 H new ATOM 976 N HIS A 65 7.811 10.662 8.072 1.00 0.00 N ATOM 977 CA HIS A 65 8.186 10.601 9.480 1.00 0.00 C ATOM 978 C HIS A 65 9.569 11.207 9.700 1.00 0.00 C ATOM 979 O HIS A 65 9.761 12.031 10.594 1.00 0.00 O ATOM 980 CB HIS A 65 8.167 9.154 9.973 1.00 0.00 C ATOM 981 CG HIS A 65 9.093 8.900 11.122 1.00 0.00 C ATOM 982 ND1 HIS A 65 8.709 9.024 12.440 1.00 0.00 N ATOM 983 CD2 HIS A 65 10.394 8.525 11.145 1.00 0.00 C ATOM 984 CE1 HIS A 65 9.733 8.738 13.224 1.00 0.00 C ATOM 985 NE2 HIS A 65 10.768 8.432 12.463 1.00 0.00 N ATOM 0 H HIS A 65 7.872 9.770 7.581 1.00 0.00 H new ATOM 0 HA HIS A 65 7.459 11.180 10.049 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.151 8.894 10.271 1.00 0.00 H new ATOM 0 HB3 HIS A 65 8.436 8.494 9.148 1.00 0.00 H new ATOM 0 HD2 HIS A 65 11.021 8.334 10.286 1.00 0.00 H new ATOM 0 HE1 HIS A 65 9.725 8.752 14.304 1.00 0.00 H new ATOM 0 HE2 HIS A 65 11.694 8.169 12.799 1.00 0.00 H new ATOM 994 N ALA A 66 10.529 10.794 8.880 1.00 0.00 N ATOM 995 CA ALA A 66 11.893 11.297 8.985 1.00 0.00 C ATOM 996 C ALA A 66 11.942 12.803 8.750 1.00 0.00 C ATOM 997 O ALA A 66 12.619 13.532 9.476 1.00 0.00 O ATOM 998 CB ALA A 66 12.798 10.577 7.996 1.00 0.00 C ATOM 0 H ALA A 66 10.387 10.112 8.135 1.00 0.00 H new ATOM 0 HA ALA A 66 12.250 11.102 9.996 1.00 0.00 H new ATOM 0 HB1 ALA A 66 13.814 10.962 8.085 1.00 0.00 H new ATOM 0 HB2 ALA A 66 12.795 9.509 8.211 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.434 10.744 6.982 1.00 0.00 H new ATOM 1004 N SER A 67 11.221 13.263 7.733 1.00 0.00 N ATOM 1005 CA SER A 67 11.186 14.682 7.400 1.00 0.00 C ATOM 1006 C SER A 67 9.749 15.188 7.327 1.00 0.00 C ATOM 1007 O SER A 67 8.972 14.762 6.474 1.00 0.00 O ATOM 1008 CB SER A 67 11.895 14.933 6.068 1.00 0.00 C ATOM 1009 OG SER A 67 12.380 16.262 5.991 1.00 0.00 O ATOM 0 H SER A 67 10.653 12.673 7.125 1.00 0.00 H new ATOM 0 HA SER A 67 11.705 15.227 8.188 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.723 14.233 5.956 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.206 14.746 5.245 1.00 0.00 H new ATOM 0 HG SER A 67 12.830 16.397 5.131 1.00 0.00 H new ATOM 1015 N GLY A 68 9.402 16.100 8.230 1.00 0.00 N ATOM 1016 CA GLY A 68 8.059 16.649 8.252 1.00 0.00 C ATOM 1017 C GLY A 68 7.768 17.517 7.044 1.00 0.00 C ATOM 1018 O GLY A 68 7.056 17.118 6.122 1.00 0.00 O ATOM 0 H GLY A 68 10.027 16.468 8.947 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.337 15.833 8.292 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.925 17.238 9.159 1.00 0.00 H new ATOM 1022 N PRO A 69 8.326 18.737 7.039 1.00 0.00 N ATOM 1023 CA PRO A 69 8.135 19.690 5.941 1.00 0.00 C ATOM 1024 C PRO A 69 8.845 19.253 4.664 1.00 0.00 C ATOM 1025 O PRO A 69 9.571 18.259 4.656 1.00 0.00 O ATOM 1026 CB PRO A 69 8.754 20.982 6.482 1.00 0.00 C ATOM 1027 CG PRO A 69 9.753 20.530 7.490 1.00 0.00 C ATOM 1028 CD PRO A 69 9.186 19.280 8.104 1.00 0.00 C ATOM 0 HA PRO A 69 7.086 19.787 5.663 1.00 0.00 H new ATOM 0 HB2 PRO A 69 9.227 21.558 5.686 1.00 0.00 H new ATOM 0 HB3 PRO A 69 7.998 21.624 6.934 1.00 0.00 H new ATOM 0 HG2 PRO A 69 10.717 20.332 7.022 1.00 0.00 H new ATOM 0 HG3 PRO A 69 9.918 21.297 8.247 1.00 0.00 H new ATOM 0 HD2 PRO A 69 9.971 18.578 8.384 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.617 19.498 9.008 1.00 0.00 H new ATOM 1036 N SER A 70 8.631 20.002 3.588 1.00 0.00 N ATOM 1037 CA SER A 70 9.248 19.689 2.304 1.00 0.00 C ATOM 1038 C SER A 70 10.206 20.797 1.878 1.00 0.00 C ATOM 1039 O SER A 70 9.852 21.668 1.083 1.00 0.00 O ATOM 1040 CB SER A 70 8.173 19.489 1.233 1.00 0.00 C ATOM 1041 OG SER A 70 7.268 18.464 1.605 1.00 0.00 O ATOM 0 H SER A 70 8.035 20.830 3.579 1.00 0.00 H new ATOM 0 HA SER A 70 9.815 18.765 2.417 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.629 20.421 1.081 1.00 0.00 H new ATOM 0 HB3 SER A 70 8.644 19.236 0.283 1.00 0.00 H new ATOM 0 HG SER A 70 6.590 18.357 0.906 1.00 0.00 H new ATOM 1047 N SER A 71 11.423 20.757 2.412 1.00 0.00 N ATOM 1048 CA SER A 71 12.432 21.759 2.091 1.00 0.00 C ATOM 1049 C SER A 71 12.970 21.555 0.678 1.00 0.00 C ATOM 1050 O SER A 71 13.495 20.492 0.348 1.00 0.00 O ATOM 1051 CB SER A 71 13.581 21.697 3.099 1.00 0.00 C ATOM 1052 OG SER A 71 14.618 22.595 2.746 1.00 0.00 O ATOM 0 H SER A 71 11.734 20.041 3.069 1.00 0.00 H new ATOM 0 HA SER A 71 11.963 22.741 2.145 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.209 21.939 4.094 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.975 20.682 3.144 1.00 0.00 H new ATOM 0 HG SER A 71 15.340 22.537 3.407 1.00 0.00 H new ATOM 1058 N GLY A 72 12.833 22.583 -0.154 1.00 0.00 N ATOM 1059 CA GLY A 72 13.309 22.498 -1.523 1.00 0.00 C ATOM 1060 C GLY A 72 14.311 23.585 -1.857 1.00 0.00 C ATOM 1061 O GLY A 72 14.598 24.419 -0.999 1.00 0.00 O ATOM 0 H GLY A 72 12.401 23.473 0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.768 21.523 -1.685 1.00 0.00 H new ATOM 0 HA3 GLY A 72 12.461 22.568 -2.204 1.00 0.00 H new TER 1065 GLY A 72 HETATM 1066 ZN ZN A 201 -15.573 2.975 -0.952 1.00 0.00 ZN HETATM 1067 ZN ZN A 401 2.206 4.700 -0.038 1.00 0.00 ZN