USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 824 hydrogens (20 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 67 HIS HE2 : A 67 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD Set 1.1: A 53 GLN : amide:sc= -11.5! C(o=-24!,f=-30!) USER MOD Set 1.2: A 105 HEM CMC :methyl 150:sc= -12.6! (180deg=-8.97!) USER MOD Set 2.1: A 30 HIS : no HD1:sc= 0.0813 X(o=0.17,f=0) USER MOD Set 2.2: A 32 LYS NZ :NH3+ -170:sc= 0.0852 (180deg=0) USER MOD Set 3.1: A 25 THR OG1 : rot -67:sc= 2.11 USER MOD Set 3.2: A 37 THR OG1 : rot 28:sc= 1.9 USER MOD Set 4.1: A 19 HIS : no HE2:sc= 0.57 K(o=0.26,f=-4!) USER MOD Set 4.2: A 24 SER OG : rot 180:sc= -0.308 USER MOD Set 5.1: A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 10 TYR OH : rot 180:sc= -0.278 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot -108:sc=0.000218 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 17 GLN : amide:sc= -0.334 K(o=-0.33,f=-2.8!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -6.26! C(o=-11!,f=-6.3!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot -153:sc= -0.747 USER MOD Single : A 34 TYR OH : rot 180:sc= -3.91! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -23.7! C(o=-24!,f=-31!) USER MOD Single : A 59 THR OG1 : rot 8:sc= 1.04 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 68 SER OG : rot -94:sc= 0.585 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 130:sc= -1.06 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -55:sc= 1.16 USER MOD Single : A 84 HIS : no HD1:sc= -12.4! C(o=-12!,f=-14!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 140:sc= 0.419 (180deg=-0.212) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.166 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HEM CMA :methyl 150:sc= -2.97 (180deg=-2.97) USER MOD Single : A 105 HEM CMB :methyl 150:sc= -5.47! (180deg=-5.47!) USER MOD Single : A 105 HEM CMD :methyl -30:sc= 0 (180deg=-0.193) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 32.018 0.507 -32.756 1.00 0.00 N ATOM 2 CA ALA A 1 31.679 0.609 -34.165 1.00 0.00 C ATOM 3 C ALA A 1 30.281 1.216 -34.306 1.00 0.00 C ATOM 4 O ALA A 1 30.127 2.310 -34.847 1.00 0.00 O ATOM 5 CB ALA A 1 31.785 -0.770 -34.817 1.00 0.00 C ATOM 0 H1 ALA A 1 32.968 0.095 -32.656 1.00 0.00 H new ATOM 0 H2 ALA A 1 32.005 1.454 -32.326 1.00 0.00 H new ATOM 0 H3 ALA A 1 31.325 -0.101 -32.275 1.00 0.00 H new ATOM 0 HA ALA A 1 32.378 1.267 -34.681 1.00 0.00 H new ATOM 0 HB1 ALA A 1 31.531 -0.693 -35.874 1.00 0.00 H new ATOM 0 HB2 ALA A 1 32.804 -1.143 -34.715 1.00 0.00 H new ATOM 0 HB3 ALA A 1 31.096 -1.458 -34.327 1.00 0.00 H new ATOM 11 N GLU A 2 29.299 0.477 -33.812 1.00 0.00 N ATOM 12 CA GLU A 2 27.919 0.929 -33.876 1.00 0.00 C ATOM 13 C GLU A 2 27.000 -0.067 -33.163 1.00 0.00 C ATOM 14 O GLU A 2 27.265 -1.269 -33.163 1.00 0.00 O ATOM 15 CB GLU A 2 27.478 1.140 -35.325 1.00 0.00 C ATOM 16 CG GLU A 2 27.467 -0.183 -36.095 1.00 0.00 C ATOM 17 CD GLU A 2 27.377 0.060 -37.602 1.00 0.00 C ATOM 18 OE1 GLU A 2 26.249 0.323 -38.069 1.00 0.00 O ATOM 19 OE2 GLU A 2 28.441 -0.024 -38.254 1.00 0.00 O ATOM 0 H GLU A 2 29.431 -0.431 -33.366 1.00 0.00 H new ATOM 0 HA GLU A 2 27.848 1.889 -33.365 1.00 0.00 H new ATOM 0 HB2 GLU A 2 26.483 1.584 -35.345 1.00 0.00 H new ATOM 0 HB3 GLU A 2 28.151 1.844 -35.815 1.00 0.00 H new ATOM 0 HG2 GLU A 2 28.371 -0.748 -35.868 1.00 0.00 H new ATOM 0 HG3 GLU A 2 26.622 -0.790 -35.770 1.00 0.00 H new ATOM 26 N GLU A 3 25.941 0.469 -32.575 1.00 0.00 N ATOM 27 CA GLU A 3 24.983 -0.358 -31.861 1.00 0.00 C ATOM 28 C GLU A 3 23.767 0.474 -31.451 1.00 0.00 C ATOM 29 O GLU A 3 23.801 1.702 -31.509 1.00 0.00 O ATOM 30 CB GLU A 3 25.631 -1.019 -30.643 1.00 0.00 C ATOM 31 CG GLU A 3 26.029 0.025 -29.599 1.00 0.00 C ATOM 32 CD GLU A 3 25.446 -0.321 -28.227 1.00 0.00 C ATOM 33 OE1 GLU A 3 24.207 -0.473 -28.158 1.00 0.00 O ATOM 34 OE2 GLU A 3 26.254 -0.427 -27.279 1.00 0.00 O ATOM 0 H GLU A 3 25.725 1.466 -32.578 1.00 0.00 H new ATOM 0 HA GLU A 3 24.648 -1.152 -32.529 1.00 0.00 H new ATOM 0 HB2 GLU A 3 24.937 -1.734 -30.201 1.00 0.00 H new ATOM 0 HB3 GLU A 3 26.512 -1.580 -30.955 1.00 0.00 H new ATOM 0 HG2 GLU A 3 27.115 0.082 -29.532 1.00 0.00 H new ATOM 0 HG3 GLU A 3 25.677 1.008 -29.910 1.00 0.00 H new ATOM 41 N SER A 4 22.718 -0.229 -31.047 1.00 0.00 N ATOM 42 CA SER A 4 21.493 0.429 -30.627 1.00 0.00 C ATOM 43 C SER A 4 20.434 -0.615 -30.270 1.00 0.00 C ATOM 44 O SER A 4 20.433 -1.715 -30.819 1.00 0.00 O ATOM 45 CB SER A 4 20.969 1.365 -31.719 1.00 0.00 C ATOM 46 OG SER A 4 20.459 2.581 -31.179 1.00 0.00 O ATOM 0 H SER A 4 22.692 -1.248 -31.002 1.00 0.00 H new ATOM 0 HA SER A 4 21.713 1.030 -29.745 1.00 0.00 H new ATOM 0 HB2 SER A 4 21.772 1.589 -32.421 1.00 0.00 H new ATOM 0 HB3 SER A 4 20.184 0.861 -32.283 1.00 0.00 H new ATOM 0 HG SER A 4 20.136 3.152 -31.907 1.00 0.00 H new ATOM 52 N SER A 5 19.557 -0.233 -29.352 1.00 0.00 N ATOM 53 CA SER A 5 18.496 -1.122 -28.915 1.00 0.00 C ATOM 54 C SER A 5 17.588 -0.404 -27.917 1.00 0.00 C ATOM 55 O SER A 5 17.986 0.593 -27.314 1.00 0.00 O ATOM 56 CB SER A 5 19.068 -2.398 -28.290 1.00 0.00 C ATOM 57 OG SER A 5 18.643 -3.569 -28.982 1.00 0.00 O ATOM 0 H SER A 5 19.561 0.681 -28.899 1.00 0.00 H new ATOM 0 HA SER A 5 17.910 -1.408 -29.788 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.157 -2.348 -28.297 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.758 -2.461 -27.247 1.00 0.00 H new ATOM 0 HG SER A 5 19.030 -4.361 -28.554 1.00 0.00 H new ATOM 63 N LYS A 6 16.383 -0.935 -27.771 1.00 0.00 N ATOM 64 CA LYS A 6 15.414 -0.356 -26.855 1.00 0.00 C ATOM 65 C LYS A 6 14.093 -1.117 -26.970 1.00 0.00 C ATOM 66 O LYS A 6 13.206 -0.721 -27.725 1.00 0.00 O ATOM 67 CB LYS A 6 15.281 1.148 -27.099 1.00 0.00 C ATOM 68 CG LYS A 6 15.516 1.936 -25.809 1.00 0.00 C ATOM 69 CD LYS A 6 15.777 3.414 -26.108 1.00 0.00 C ATOM 70 CE LYS A 6 16.718 4.027 -25.068 1.00 0.00 C ATOM 71 NZ LYS A 6 17.039 5.426 -25.422 1.00 0.00 N ATOM 0 H LYS A 6 16.055 -1.761 -28.272 1.00 0.00 H new ATOM 0 HA LYS A 6 15.753 -0.460 -25.824 1.00 0.00 H new ATOM 0 HB2 LYS A 6 15.999 1.462 -27.857 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.288 1.370 -27.489 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.647 1.841 -25.158 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.365 1.515 -25.271 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.212 3.516 -27.102 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.833 3.959 -26.116 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.253 3.992 -24.083 1.00 0.00 H new ATOM 0 HE3 LYS A 6 17.635 3.441 -25.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.678 5.827 -24.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.502 5.451 -26.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.163 5.985 -25.456 1.00 0.00 H new ATOM 85 N ALA A 7 14.000 -2.198 -26.208 1.00 0.00 N ATOM 86 CA ALA A 7 12.802 -3.019 -26.214 1.00 0.00 C ATOM 87 C ALA A 7 12.742 -3.836 -24.922 1.00 0.00 C ATOM 88 O ALA A 7 12.970 -5.045 -24.938 1.00 0.00 O ATOM 89 CB ALA A 7 12.793 -3.900 -27.464 1.00 0.00 C ATOM 0 H ALA A 7 14.736 -2.524 -25.582 1.00 0.00 H new ATOM 0 HA ALA A 7 11.909 -2.395 -26.250 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.894 -4.516 -27.468 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.805 -3.270 -28.353 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.673 -4.543 -27.462 1.00 0.00 H new ATOM 95 N VAL A 8 12.436 -3.145 -23.835 1.00 0.00 N ATOM 96 CA VAL A 8 12.344 -3.792 -22.538 1.00 0.00 C ATOM 97 C VAL A 8 11.798 -5.209 -22.717 1.00 0.00 C ATOM 98 O VAL A 8 12.485 -6.186 -22.421 1.00 0.00 O ATOM 99 CB VAL A 8 11.498 -2.943 -21.587 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.677 -1.908 -22.360 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.595 -3.822 -20.720 1.00 0.00 C ATOM 0 H VAL A 8 12.248 -2.142 -23.826 1.00 0.00 H new ATOM 0 HA VAL A 8 13.332 -3.878 -22.085 1.00 0.00 H new ATOM 0 HB VAL A 8 12.177 -2.406 -20.924 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.085 -1.318 -21.661 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.348 -1.250 -22.913 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.013 -2.418 -23.058 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.005 -3.192 -20.054 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.927 -4.399 -21.359 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.208 -4.502 -20.128 1.00 0.00 H new ATOM 111 N LYS A 9 10.566 -5.279 -23.203 1.00 0.00 N ATOM 112 CA LYS A 9 9.920 -6.561 -23.425 1.00 0.00 C ATOM 113 C LYS A 9 9.428 -7.119 -22.088 1.00 0.00 C ATOM 114 O LYS A 9 8.249 -7.428 -21.937 1.00 0.00 O ATOM 115 CB LYS A 9 10.855 -7.508 -24.180 1.00 0.00 C ATOM 116 CG LYS A 9 10.243 -7.934 -25.515 1.00 0.00 C ATOM 117 CD LYS A 9 10.937 -9.182 -26.064 1.00 0.00 C ATOM 118 CE LYS A 9 11.607 -8.892 -27.408 1.00 0.00 C ATOM 119 NZ LYS A 9 12.423 -10.047 -27.841 1.00 0.00 N ATOM 0 H LYS A 9 9.999 -4.468 -23.449 1.00 0.00 H new ATOM 0 HA LYS A 9 9.043 -6.440 -24.062 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.812 -7.017 -24.355 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.056 -8.389 -23.570 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.179 -8.133 -25.384 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.329 -7.120 -26.235 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.683 -9.531 -25.350 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.209 -9.985 -26.183 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.848 -8.673 -28.159 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.236 -8.006 -27.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.870 -9.833 -28.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.159 -10.238 -27.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.814 -10.884 -27.941 1.00 0.00 H new ATOM 133 N TYR A 10 10.359 -7.229 -21.151 1.00 0.00 N ATOM 134 CA TYR A 10 10.035 -7.744 -19.832 1.00 0.00 C ATOM 135 C TYR A 10 10.721 -6.923 -18.739 1.00 0.00 C ATOM 136 O TYR A 10 11.925 -6.677 -18.803 1.00 0.00 O ATOM 137 CB TYR A 10 10.577 -9.175 -19.793 1.00 0.00 C ATOM 138 CG TYR A 10 11.371 -9.574 -21.038 1.00 0.00 C ATOM 139 CD1 TYR A 10 12.655 -9.100 -21.219 1.00 0.00 C ATOM 140 CD2 TYR A 10 10.803 -10.407 -21.981 1.00 0.00 C ATOM 141 CE1 TYR A 10 13.402 -9.476 -22.391 1.00 0.00 C ATOM 142 CE2 TYR A 10 11.551 -10.782 -23.154 1.00 0.00 C ATOM 143 CZ TYR A 10 12.814 -10.298 -23.301 1.00 0.00 C ATOM 144 OH TYR A 10 13.520 -10.652 -24.407 1.00 0.00 O ATOM 0 H TYR A 10 11.337 -6.970 -21.280 1.00 0.00 H new ATOM 0 HA TYR A 10 8.960 -7.698 -19.656 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.215 -9.287 -18.916 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.743 -9.865 -19.670 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.099 -8.447 -20.482 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.798 -10.777 -21.840 1.00 0.00 H new ATOM 0 HE1 TYR A 10 14.408 -9.113 -22.544 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.119 -11.433 -23.900 1.00 0.00 H new ATOM 0 HH TYR A 10 12.975 -11.243 -24.968 1.00 0.00 H new ATOM 154 N TYR A 11 9.924 -6.518 -17.761 1.00 0.00 N ATOM 155 CA TYR A 11 10.438 -5.728 -16.655 1.00 0.00 C ATOM 156 C TYR A 11 9.895 -6.237 -15.318 1.00 0.00 C ATOM 157 O TYR A 11 9.004 -7.083 -15.287 1.00 0.00 O ATOM 158 CB TYR A 11 9.937 -4.301 -16.886 1.00 0.00 C ATOM 159 CG TYR A 11 11.029 -3.319 -17.311 1.00 0.00 C ATOM 160 CD1 TYR A 11 12.328 -3.502 -16.881 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.718 -2.249 -18.125 1.00 0.00 C ATOM 162 CE1 TYR A 11 13.358 -2.577 -17.281 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.746 -1.324 -18.524 1.00 0.00 C ATOM 164 CZ TYR A 11 13.015 -1.534 -18.083 1.00 0.00 C ATOM 165 OH TYR A 11 13.987 -0.661 -18.461 1.00 0.00 O ATOM 0 H TYR A 11 8.926 -6.722 -17.712 1.00 0.00 H new ATOM 0 HA TYR A 11 11.526 -5.787 -16.615 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.161 -4.319 -17.651 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.472 -3.937 -15.969 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.573 -4.339 -16.244 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.702 -2.106 -18.463 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.378 -2.709 -16.952 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.515 -0.482 -19.159 1.00 0.00 H new ATOM 0 HH TYR A 11 13.860 0.192 -17.996 1.00 0.00 H new ATOM 175 N THR A 12 10.456 -5.699 -14.244 1.00 0.00 N ATOM 176 CA THR A 12 10.040 -6.087 -12.908 1.00 0.00 C ATOM 177 C THR A 12 9.209 -4.975 -12.263 1.00 0.00 C ATOM 178 O THR A 12 9.462 -3.793 -12.495 1.00 0.00 O ATOM 179 CB THR A 12 11.292 -6.451 -12.109 1.00 0.00 C ATOM 180 OG1 THR A 12 11.915 -5.197 -11.847 1.00 0.00 O ATOM 181 CG2 THR A 12 12.323 -7.211 -12.948 1.00 0.00 C ATOM 0 H THR A 12 11.196 -4.997 -14.273 1.00 0.00 H new ATOM 0 HA THR A 12 9.389 -6.961 -12.936 1.00 0.00 H new ATOM 0 HB THR A 12 11.008 -7.055 -11.247 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.735 -5.341 -11.330 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.192 -7.445 -12.333 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.881 -8.136 -13.318 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.632 -6.594 -13.792 1.00 0.00 H new ATOM 189 N LEU A 13 8.237 -5.393 -11.467 1.00 0.00 N ATOM 190 CA LEU A 13 7.368 -4.446 -10.788 1.00 0.00 C ATOM 191 C LEU A 13 8.214 -3.316 -10.199 1.00 0.00 C ATOM 192 O LEU A 13 7.798 -2.158 -10.200 1.00 0.00 O ATOM 193 CB LEU A 13 6.496 -5.165 -9.755 1.00 0.00 C ATOM 194 CG LEU A 13 5.112 -5.604 -10.235 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.304 -6.219 -9.091 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.369 -4.443 -10.901 1.00 0.00 C ATOM 0 H LEU A 13 8.031 -6.374 -11.277 1.00 0.00 H new ATOM 0 HA LEU A 13 6.675 -3.990 -11.495 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.034 -6.046 -9.405 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.369 -4.507 -8.895 1.00 0.00 H new ATOM 0 HG LEU A 13 5.243 -6.379 -10.990 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.324 -6.522 -9.460 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.831 -7.090 -8.701 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.181 -5.483 -8.296 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.388 -4.782 -11.233 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.249 -3.630 -10.185 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.941 -4.090 -11.759 1.00 0.00 H new ATOM 208 N GLU A 14 9.386 -3.691 -9.710 1.00 0.00 N ATOM 209 CA GLU A 14 10.296 -2.723 -9.119 1.00 0.00 C ATOM 210 C GLU A 14 10.693 -1.668 -10.153 1.00 0.00 C ATOM 211 O GLU A 14 10.624 -0.470 -9.880 1.00 0.00 O ATOM 212 CB GLU A 14 11.531 -3.415 -8.539 1.00 0.00 C ATOM 213 CG GLU A 14 11.584 -3.257 -7.017 1.00 0.00 C ATOM 214 CD GLU A 14 10.456 -4.044 -6.346 1.00 0.00 C ATOM 215 OE1 GLU A 14 9.368 -3.451 -6.186 1.00 0.00 O ATOM 216 OE2 GLU A 14 10.709 -5.220 -6.007 1.00 0.00 O ATOM 0 H GLU A 14 9.728 -4.652 -9.710 1.00 0.00 H new ATOM 0 HA GLU A 14 9.781 -2.223 -8.298 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.514 -4.474 -8.798 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.432 -2.992 -8.984 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.547 -3.606 -6.645 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.503 -2.202 -6.754 1.00 0.00 H new ATOM 223 N GLU A 15 11.099 -2.150 -11.318 1.00 0.00 N ATOM 224 CA GLU A 15 11.507 -1.263 -12.393 1.00 0.00 C ATOM 225 C GLU A 15 10.382 -0.282 -12.729 1.00 0.00 C ATOM 226 O GLU A 15 10.632 0.899 -12.964 1.00 0.00 O ATOM 227 CB GLU A 15 11.928 -2.059 -13.632 1.00 0.00 C ATOM 228 CG GLU A 15 12.643 -1.162 -14.643 1.00 0.00 C ATOM 229 CD GLU A 15 11.671 -0.659 -15.712 1.00 0.00 C ATOM 230 OE1 GLU A 15 10.564 -1.234 -15.788 1.00 0.00 O ATOM 231 OE2 GLU A 15 12.057 0.290 -16.430 1.00 0.00 O ATOM 0 H GLU A 15 11.154 -3.144 -11.541 1.00 0.00 H new ATOM 0 HA GLU A 15 12.372 -0.692 -12.057 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.586 -2.877 -13.337 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.050 -2.508 -14.096 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.093 -0.314 -14.128 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.455 -1.715 -15.116 1.00 0.00 H new ATOM 238 N ILE A 16 9.166 -0.809 -12.742 1.00 0.00 N ATOM 239 CA ILE A 16 8.000 0.004 -13.045 1.00 0.00 C ATOM 240 C ILE A 16 7.739 0.965 -11.883 1.00 0.00 C ATOM 241 O ILE A 16 7.313 2.100 -12.094 1.00 0.00 O ATOM 242 CB ILE A 16 6.803 -0.883 -13.391 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.205 -1.990 -14.367 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.637 -0.046 -13.922 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.764 -3.361 -13.851 1.00 0.00 C ATOM 0 H ILE A 16 8.963 -1.789 -12.547 1.00 0.00 H new ATOM 0 HA ILE A 16 8.180 0.614 -13.930 1.00 0.00 H new ATOM 0 HB ILE A 16 6.461 -1.369 -12.477 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.755 -1.802 -15.342 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.286 -1.981 -14.508 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.798 -0.700 -14.161 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.331 0.674 -13.163 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.950 0.485 -14.821 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.062 -4.131 -14.563 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.235 -3.556 -12.888 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.680 -3.374 -13.734 1.00 0.00 H new ATOM 257 N GLN A 17 8.005 0.475 -10.681 1.00 0.00 N ATOM 258 CA GLN A 17 7.804 1.276 -9.485 1.00 0.00 C ATOM 259 C GLN A 17 8.718 2.504 -9.509 1.00 0.00 C ATOM 260 O GLN A 17 8.343 3.572 -9.025 1.00 0.00 O ATOM 261 CB GLN A 17 8.035 0.445 -8.223 1.00 0.00 C ATOM 262 CG GLN A 17 7.052 0.840 -7.119 1.00 0.00 C ATOM 263 CD GLN A 17 7.790 1.423 -5.911 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.985 1.668 -5.940 1.00 0.00 O ATOM 265 NE2 GLN A 17 7.013 1.630 -4.852 1.00 0.00 N ATOM 0 H GLN A 17 8.358 -0.467 -10.510 1.00 0.00 H new ATOM 0 HA GLN A 17 6.769 1.618 -9.470 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.921 -0.614 -8.455 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.057 0.586 -7.872 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.342 1.572 -7.504 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.475 -0.032 -6.811 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.020 1.402 -4.896 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.410 2.016 -3.996 1.00 0.00 H new ATOM 274 N LYS A 18 9.901 2.310 -10.074 1.00 0.00 N ATOM 275 CA LYS A 18 10.872 3.388 -10.165 1.00 0.00 C ATOM 276 C LYS A 18 10.363 4.445 -11.147 1.00 0.00 C ATOM 277 O LYS A 18 10.663 5.628 -11.001 1.00 0.00 O ATOM 278 CB LYS A 18 12.253 2.834 -10.518 1.00 0.00 C ATOM 279 CG LYS A 18 12.671 1.735 -9.540 1.00 0.00 C ATOM 280 CD LYS A 18 13.446 2.319 -8.357 1.00 0.00 C ATOM 281 CE LYS A 18 14.782 2.908 -8.815 1.00 0.00 C ATOM 282 NZ LYS A 18 15.011 4.228 -8.186 1.00 0.00 N ATOM 0 H LYS A 18 10.209 1.423 -10.473 1.00 0.00 H new ATOM 0 HA LYS A 18 10.988 3.880 -9.199 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.240 2.437 -11.533 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.987 3.640 -10.500 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.787 1.211 -9.177 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.288 1.000 -10.056 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.850 3.093 -7.873 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.623 1.542 -7.614 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.594 2.229 -8.554 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.788 3.010 -9.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.922 4.613 -8.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.246 4.879 -8.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.027 4.122 -7.152 1.00 0.00 H new ATOM 296 N HIS A 19 9.601 3.978 -12.126 1.00 0.00 N ATOM 297 CA HIS A 19 9.047 4.868 -13.131 1.00 0.00 C ATOM 298 C HIS A 19 7.628 5.278 -12.730 1.00 0.00 C ATOM 299 O HIS A 19 6.659 4.617 -13.099 1.00 0.00 O ATOM 300 CB HIS A 19 9.107 4.226 -14.519 1.00 0.00 C ATOM 301 CG HIS A 19 10.464 4.312 -15.177 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.628 4.582 -16.524 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.717 4.162 -14.659 1.00 0.00 C ATOM 304 CE1 HIS A 19 11.926 4.591 -16.795 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.598 4.329 -15.638 1.00 0.00 N ATOM 0 H HIS A 19 9.355 2.995 -12.244 1.00 0.00 H new ATOM 0 HA HIS A 19 9.648 5.775 -13.187 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.821 3.178 -14.436 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.371 4.707 -15.163 1.00 0.00 H new ATOM 0 HD1 HIS A 19 9.878 4.746 -17.195 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.952 3.944 -13.628 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.372 4.774 -17.761 1.00 0.00 H new ATOM 314 N ASN A 20 7.552 6.368 -11.978 1.00 0.00 N ATOM 315 CA ASN A 20 6.269 6.872 -11.522 1.00 0.00 C ATOM 316 C ASN A 20 6.311 8.402 -11.490 1.00 0.00 C ATOM 317 O ASN A 20 5.593 9.030 -10.713 1.00 0.00 O ATOM 318 CB ASN A 20 5.953 6.379 -10.109 1.00 0.00 C ATOM 319 CG ASN A 20 4.719 7.085 -9.545 1.00 0.00 C ATOM 320 OD1 ASN A 20 3.820 7.422 -10.465 1.00 0.00 O flip ATOM 321 ND2 ASN A 20 4.591 7.310 -8.353 1.00 0.00 N flip ATOM 0 H ASN A 20 8.358 6.914 -11.674 1.00 0.00 H new ATOM 0 HA ASN A 20 5.502 6.513 -12.208 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.785 5.302 -10.125 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.808 6.558 -9.458 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.320 7.024 -7.699 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.755 7.784 -8.010 1.00 0.00 H new ATOM 328 N ASN A 21 7.158 8.958 -12.344 1.00 0.00 N ATOM 329 CA ASN A 21 7.302 10.401 -12.423 1.00 0.00 C ATOM 330 C ASN A 21 6.652 10.904 -13.714 1.00 0.00 C ATOM 331 O ASN A 21 6.371 10.120 -14.619 1.00 0.00 O ATOM 332 CB ASN A 21 8.778 10.806 -12.448 1.00 0.00 C ATOM 333 CG ASN A 21 9.478 10.406 -11.148 1.00 0.00 C ATOM 334 OD1 ASN A 21 9.536 11.157 -10.188 1.00 0.00 O ATOM 335 ND2 ASN A 21 10.005 9.186 -11.170 1.00 0.00 N ATOM 0 H ASN A 21 7.752 8.434 -12.987 1.00 0.00 H new ATOM 0 HA ASN A 21 6.823 10.837 -11.546 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.275 10.331 -13.294 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.861 11.883 -12.593 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.494 8.827 -10.350 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.920 8.609 -12.007 1.00 0.00 H new ATOM 342 N SER A 22 6.431 12.211 -13.756 1.00 0.00 N ATOM 343 CA SER A 22 5.818 12.827 -14.920 1.00 0.00 C ATOM 344 C SER A 22 6.734 12.674 -16.136 1.00 0.00 C ATOM 345 O SER A 22 6.324 12.943 -17.264 1.00 0.00 O ATOM 346 CB SER A 22 5.518 14.305 -14.666 1.00 0.00 C ATOM 347 OG SER A 22 6.672 15.018 -14.230 1.00 0.00 O ATOM 0 H SER A 22 6.665 12.859 -13.004 1.00 0.00 H new ATOM 0 HA SER A 22 4.873 12.320 -15.118 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.135 14.759 -15.580 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.733 14.391 -13.914 1.00 0.00 H new ATOM 0 HG SER A 22 6.439 15.958 -14.081 1.00 0.00 H new ATOM 353 N LYS A 23 7.957 12.242 -15.866 1.00 0.00 N ATOM 354 CA LYS A 23 8.934 12.050 -16.923 1.00 0.00 C ATOM 355 C LYS A 23 9.197 10.553 -17.103 1.00 0.00 C ATOM 356 O LYS A 23 9.837 10.143 -18.071 1.00 0.00 O ATOM 357 CB LYS A 23 10.197 12.866 -16.641 1.00 0.00 C ATOM 358 CG LYS A 23 10.938 13.198 -17.939 1.00 0.00 C ATOM 359 CD LYS A 23 12.447 12.998 -17.776 1.00 0.00 C ATOM 360 CE LYS A 23 13.214 14.250 -18.205 1.00 0.00 C ATOM 361 NZ LYS A 23 14.640 14.136 -17.828 1.00 0.00 N ATOM 0 H LYS A 23 8.293 12.019 -14.929 1.00 0.00 H new ATOM 0 HA LYS A 23 8.547 12.423 -17.871 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.931 13.788 -16.124 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.855 12.306 -15.976 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.569 12.564 -18.745 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.733 14.230 -18.225 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.677 12.765 -16.736 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.771 12.146 -18.373 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.126 14.387 -19.283 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.776 15.131 -17.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.147 14.994 -18.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.719 14.028 -16.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 15.058 13.306 -18.296 1.00 0.00 H new ATOM 375 N SER A 24 8.691 9.777 -16.156 1.00 0.00 N ATOM 376 CA SER A 24 8.863 8.336 -16.197 1.00 0.00 C ATOM 377 C SER A 24 7.619 7.644 -15.634 1.00 0.00 C ATOM 378 O SER A 24 7.648 7.119 -14.521 1.00 0.00 O ATOM 379 CB SER A 24 10.107 7.907 -15.419 1.00 0.00 C ATOM 380 OG SER A 24 11.121 7.390 -16.276 1.00 0.00 O ATOM 0 H SER A 24 8.161 10.120 -15.355 1.00 0.00 H new ATOM 0 HA SER A 24 8.998 8.037 -17.237 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.500 8.760 -14.865 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.832 7.150 -14.685 1.00 0.00 H new ATOM 0 HG SER A 24 11.899 7.128 -15.741 1.00 0.00 H new ATOM 386 N THR A 25 6.557 7.666 -16.426 1.00 0.00 N ATOM 387 CA THR A 25 5.308 7.047 -16.020 1.00 0.00 C ATOM 388 C THR A 25 5.174 5.657 -16.644 1.00 0.00 C ATOM 389 O THR A 25 4.939 5.530 -17.844 1.00 0.00 O ATOM 390 CB THR A 25 4.167 7.996 -16.398 1.00 0.00 C ATOM 391 OG1 THR A 25 4.817 9.241 -16.638 1.00 0.00 O ATOM 392 CG2 THR A 25 3.231 8.283 -15.222 1.00 0.00 C ATOM 0 H THR A 25 6.536 8.103 -17.347 1.00 0.00 H new ATOM 0 HA THR A 25 5.276 6.889 -14.942 1.00 0.00 H new ATOM 0 HB THR A 25 3.595 7.567 -17.220 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.184 9.586 -15.797 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.440 8.961 -15.543 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.790 7.350 -14.872 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.796 8.743 -14.411 1.00 0.00 H new ATOM 400 N TRP A 26 5.326 4.648 -15.799 1.00 0.00 N ATOM 401 CA TRP A 26 5.226 3.271 -16.252 1.00 0.00 C ATOM 402 C TRP A 26 4.238 2.543 -15.337 1.00 0.00 C ATOM 403 O TRP A 26 4.183 2.813 -14.138 1.00 0.00 O ATOM 404 CB TRP A 26 6.602 2.606 -16.296 1.00 0.00 C ATOM 405 CG TRP A 26 7.248 2.604 -17.682 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.464 1.557 -18.492 1.00 0.00 C ATOM 407 CD2 TRP A 26 7.760 3.751 -18.395 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.073 1.944 -19.668 1.00 0.00 N ATOM 409 CE2 TRP A 26 8.258 3.321 -19.607 1.00 0.00 C ATOM 410 CE3 TRP A 26 7.798 5.108 -18.026 1.00 0.00 C ATOM 411 CZ2 TRP A 26 8.832 4.183 -20.548 1.00 0.00 C ATOM 412 CZ3 TRP A 26 8.376 5.956 -18.978 1.00 0.00 C ATOM 413 CH2 TRP A 26 8.882 5.539 -20.204 1.00 0.00 C ATOM 0 H TRP A 26 5.518 4.757 -14.803 1.00 0.00 H new ATOM 0 HA TRP A 26 4.851 3.228 -17.274 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.264 3.119 -15.598 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.508 1.577 -15.949 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.195 0.539 -18.254 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.339 1.333 -20.440 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.412 5.467 -17.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.216 3.821 -21.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.433 7.009 -18.744 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.311 6.257 -20.887 1.00 0.00 H new ATOM 424 N LEU A 27 3.484 1.634 -15.936 1.00 0.00 N ATOM 425 CA LEU A 27 2.503 0.865 -15.190 1.00 0.00 C ATOM 426 C LEU A 27 2.254 -0.465 -15.902 1.00 0.00 C ATOM 427 O LEU A 27 2.751 -0.685 -17.006 1.00 0.00 O ATOM 428 CB LEU A 27 1.233 1.691 -14.967 1.00 0.00 C ATOM 429 CG LEU A 27 0.155 1.567 -16.046 1.00 0.00 C ATOM 430 CD1 LEU A 27 0.779 1.526 -17.443 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.745 0.358 -15.786 1.00 0.00 C ATOM 0 H LEU A 27 3.533 1.412 -16.930 1.00 0.00 H new ATOM 0 HA LEU A 27 2.881 0.628 -14.196 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.797 1.400 -14.011 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.516 2.740 -14.883 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.476 2.454 -16.001 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.009 1.438 -18.191 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.343 2.442 -17.617 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.448 0.669 -17.518 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.502 0.293 -16.567 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.143 -0.551 -15.788 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.232 0.469 -14.817 1.00 0.00 H new ATOM 443 N ILE A 28 1.486 -1.319 -15.242 1.00 0.00 N ATOM 444 CA ILE A 28 1.166 -2.623 -15.799 1.00 0.00 C ATOM 445 C ILE A 28 -0.336 -2.697 -16.080 1.00 0.00 C ATOM 446 O ILE A 28 -1.147 -2.262 -15.263 1.00 0.00 O ATOM 447 CB ILE A 28 1.674 -3.736 -14.881 1.00 0.00 C ATOM 448 CG1 ILE A 28 2.742 -3.210 -13.918 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.179 -4.930 -15.695 1.00 0.00 C ATOM 450 CD1 ILE A 28 4.058 -2.943 -14.651 1.00 0.00 C ATOM 0 H ILE A 28 1.076 -1.134 -14.327 1.00 0.00 H new ATOM 0 HA ILE A 28 1.677 -2.767 -16.751 1.00 0.00 H new ATOM 0 HB ILE A 28 0.838 -4.086 -14.276 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.391 -2.292 -13.447 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.906 -3.935 -13.121 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.535 -5.707 -15.019 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.366 -5.324 -16.305 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.996 -4.610 -16.342 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.799 -2.570 -13.944 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.418 -3.868 -15.100 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.895 -2.200 -15.432 1.00 0.00 H new ATOM 462 N LEU A 29 -0.662 -3.252 -17.238 1.00 0.00 N ATOM 463 CA LEU A 29 -2.052 -3.389 -17.637 1.00 0.00 C ATOM 464 C LEU A 29 -2.306 -4.825 -18.101 1.00 0.00 C ATOM 465 O LEU A 29 -1.653 -5.307 -19.027 1.00 0.00 O ATOM 466 CB LEU A 29 -2.416 -2.333 -18.682 1.00 0.00 C ATOM 467 CG LEU A 29 -3.687 -1.526 -18.407 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.262 -0.949 -19.701 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.716 -2.367 -17.646 1.00 0.00 C ATOM 0 H LEU A 29 0.013 -3.612 -17.913 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.711 -3.206 -16.788 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.581 -1.638 -18.773 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.526 -2.828 -19.647 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.425 -0.682 -17.769 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.164 -0.380 -19.476 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.526 -0.293 -20.165 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.506 -1.762 -20.385 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.610 -1.770 -17.463 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.980 -3.243 -18.238 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.292 -2.687 -16.694 1.00 0.00 H new ATOM 481 N HIS A 30 -3.254 -5.469 -17.437 1.00 0.00 N ATOM 482 CA HIS A 30 -3.601 -6.840 -17.770 1.00 0.00 C ATOM 483 C HIS A 30 -2.477 -7.777 -17.326 1.00 0.00 C ATOM 484 O HIS A 30 -2.726 -8.775 -16.652 1.00 0.00 O ATOM 485 CB HIS A 30 -3.931 -6.972 -19.258 1.00 0.00 C ATOM 486 CG HIS A 30 -4.804 -8.157 -19.593 1.00 0.00 C ATOM 487 ND1 HIS A 30 -4.295 -9.430 -19.787 1.00 0.00 N ATOM 488 CD2 HIS A 30 -6.154 -8.252 -19.762 1.00 0.00 C ATOM 489 CE1 HIS A 30 -5.304 -10.245 -20.063 1.00 0.00 C ATOM 490 NE2 HIS A 30 -6.453 -9.512 -20.048 1.00 0.00 N ATOM 0 H HIS A 30 -3.793 -5.067 -16.670 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.503 -7.131 -17.231 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.429 -6.062 -19.591 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -3.000 -7.050 -19.820 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.860 -7.439 -19.677 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.229 -11.303 -20.264 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.390 -9.873 -20.227 1.00 0.00 H new ATOM 499 N TYR A 31 -1.264 -7.422 -17.723 1.00 0.00 N ATOM 500 CA TYR A 31 -0.100 -8.218 -17.374 1.00 0.00 C ATOM 501 C TYR A 31 1.158 -7.680 -18.059 1.00 0.00 C ATOM 502 O TYR A 31 2.268 -8.113 -17.755 1.00 0.00 O ATOM 503 CB TYR A 31 -0.384 -9.630 -17.892 1.00 0.00 C ATOM 504 CG TYR A 31 0.622 -10.126 -18.932 1.00 0.00 C ATOM 505 CD1 TYR A 31 1.914 -10.428 -18.553 1.00 0.00 C ATOM 506 CD2 TYR A 31 0.238 -10.271 -20.250 1.00 0.00 C ATOM 507 CE1 TYR A 31 2.862 -10.895 -19.531 1.00 0.00 C ATOM 508 CE2 TYR A 31 1.186 -10.737 -21.228 1.00 0.00 C ATOM 509 CZ TYR A 31 2.451 -11.026 -20.820 1.00 0.00 C ATOM 510 OH TYR A 31 3.346 -11.468 -21.745 1.00 0.00 O ATOM 0 H TYR A 31 -1.062 -6.594 -18.283 1.00 0.00 H new ATOM 0 HA TYR A 31 0.073 -8.194 -16.298 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.390 -10.321 -17.049 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.383 -9.652 -18.328 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.214 -10.314 -17.522 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.773 -10.035 -20.547 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.876 -11.136 -19.247 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.899 -10.855 -22.263 1.00 0.00 H new ATOM 0 HH TYR A 31 3.100 -11.124 -22.629 1.00 0.00 H new ATOM 520 N LYS A 32 0.942 -6.744 -18.972 1.00 0.00 N ATOM 521 CA LYS A 32 2.044 -6.143 -19.703 1.00 0.00 C ATOM 522 C LYS A 32 2.378 -4.784 -19.085 1.00 0.00 C ATOM 523 O LYS A 32 1.645 -4.289 -18.231 1.00 0.00 O ATOM 524 CB LYS A 32 1.723 -6.077 -21.199 1.00 0.00 C ATOM 525 CG LYS A 32 0.239 -5.779 -21.427 1.00 0.00 C ATOM 526 CD LYS A 32 -0.566 -7.074 -21.555 1.00 0.00 C ATOM 527 CE LYS A 32 -1.912 -6.818 -22.236 1.00 0.00 C ATOM 528 NZ LYS A 32 -2.647 -8.087 -22.427 1.00 0.00 N ATOM 0 H LYS A 32 0.020 -6.387 -19.222 1.00 0.00 H new ATOM 0 HA LYS A 32 2.938 -6.760 -19.620 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.330 -5.305 -21.671 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.985 -7.023 -21.673 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.148 -5.186 -20.598 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.119 -5.181 -22.330 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.003 -7.805 -22.130 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.730 -7.503 -20.567 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.507 -6.134 -21.632 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.752 -6.335 -23.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.473 -7.921 -23.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.021 -8.787 -22.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.964 -8.447 -21.504 1.00 0.00 H new ATOM 542 N VAL A 33 3.487 -4.218 -19.542 1.00 0.00 N ATOM 543 CA VAL A 33 3.927 -2.927 -19.045 1.00 0.00 C ATOM 544 C VAL A 33 3.748 -1.875 -20.142 1.00 0.00 C ATOM 545 O VAL A 33 4.109 -2.108 -21.295 1.00 0.00 O ATOM 546 CB VAL A 33 5.369 -3.025 -18.539 1.00 0.00 C ATOM 547 CG1 VAL A 33 5.824 -1.700 -17.922 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.523 -4.176 -17.543 1.00 0.00 C ATOM 0 H VAL A 33 4.093 -4.631 -20.251 1.00 0.00 H new ATOM 0 HA VAL A 33 3.319 -2.617 -18.195 1.00 0.00 H new ATOM 0 HB VAL A 33 6.012 -3.234 -19.394 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.851 -1.796 -17.570 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.770 -0.911 -18.673 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.175 -1.448 -17.083 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.556 -4.224 -17.199 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.864 -4.010 -16.691 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.259 -5.115 -18.029 1.00 0.00 H new ATOM 558 N TYR A 34 3.193 -0.739 -19.743 1.00 0.00 N ATOM 559 CA TYR A 34 2.962 0.348 -20.678 1.00 0.00 C ATOM 560 C TYR A 34 3.674 1.623 -20.223 1.00 0.00 C ATOM 561 O TYR A 34 3.966 1.785 -19.039 1.00 0.00 O ATOM 562 CB TYR A 34 1.452 0.593 -20.676 1.00 0.00 C ATOM 563 CG TYR A 34 0.620 -0.647 -21.007 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.446 -1.635 -20.059 1.00 0.00 C ATOM 565 CD2 TYR A 34 0.041 -0.777 -22.253 1.00 0.00 C ATOM 566 CE1 TYR A 34 -0.337 -2.803 -20.372 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.742 -1.945 -22.565 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.893 -2.899 -21.609 1.00 0.00 C ATOM 569 OH TYR A 34 -1.632 -4.002 -21.904 1.00 0.00 O ATOM 0 H TYR A 34 2.897 -0.549 -18.786 1.00 0.00 H new ATOM 0 HA TYR A 34 3.342 0.091 -21.667 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.156 0.965 -19.695 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.220 1.376 -21.398 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.897 -1.532 -19.083 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.175 -0.003 -22.994 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.479 -3.585 -19.641 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.199 -2.060 -23.537 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.968 -3.935 -22.822 1.00 0.00 H new ATOM 579 N ASP A 35 3.934 2.493 -21.185 1.00 0.00 N ATOM 580 CA ASP A 35 4.607 3.749 -20.899 1.00 0.00 C ATOM 581 C ASP A 35 3.563 4.853 -20.719 1.00 0.00 C ATOM 582 O ASP A 35 3.186 5.518 -21.683 1.00 0.00 O ATOM 583 CB ASP A 35 5.531 4.155 -22.048 1.00 0.00 C ATOM 584 CG ASP A 35 4.954 3.939 -23.449 1.00 0.00 C ATOM 585 OD1 ASP A 35 3.898 4.547 -23.727 1.00 0.00 O ATOM 586 OD2 ASP A 35 5.584 3.171 -24.209 1.00 0.00 O ATOM 0 H ASP A 35 3.691 2.354 -22.166 1.00 0.00 H new ATOM 0 HA ASP A 35 5.198 3.615 -19.993 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.785 5.209 -21.935 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.460 3.592 -21.963 1.00 0.00 H new ATOM 591 N LEU A 36 3.127 5.014 -19.478 1.00 0.00 N ATOM 592 CA LEU A 36 2.134 6.026 -19.160 1.00 0.00 C ATOM 593 C LEU A 36 2.685 7.408 -19.523 1.00 0.00 C ATOM 594 O LEU A 36 1.922 8.321 -19.834 1.00 0.00 O ATOM 595 CB LEU A 36 1.693 5.905 -17.700 1.00 0.00 C ATOM 596 CG LEU A 36 0.743 4.749 -17.380 1.00 0.00 C ATOM 597 CD1 LEU A 36 0.000 4.996 -16.066 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.219 4.492 -18.542 1.00 0.00 C ATOM 0 H LEU A 36 3.443 4.461 -18.681 1.00 0.00 H new ATOM 0 HA LEU A 36 1.233 5.875 -19.755 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.583 5.800 -17.080 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.210 6.838 -17.409 1.00 0.00 H new ATOM 0 HG LEU A 36 1.338 3.846 -17.248 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.668 4.159 -15.863 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.720 5.091 -15.253 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.582 5.914 -16.144 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.883 3.666 -18.289 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.810 5.388 -18.730 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.350 4.239 -19.436 1.00 0.00 H new ATOM 610 N THR A 37 4.004 7.515 -19.472 1.00 0.00 N ATOM 611 CA THR A 37 4.666 8.769 -19.792 1.00 0.00 C ATOM 612 C THR A 37 4.289 9.225 -21.203 1.00 0.00 C ATOM 613 O THR A 37 4.268 10.423 -21.487 1.00 0.00 O ATOM 614 CB THR A 37 6.169 8.572 -19.598 1.00 0.00 C ATOM 615 OG1 THR A 37 6.504 9.468 -18.542 1.00 0.00 O ATOM 616 CG2 THR A 37 6.985 9.079 -20.790 1.00 0.00 C ATOM 0 H THR A 37 4.633 6.754 -19.214 1.00 0.00 H new ATOM 0 HA THR A 37 4.341 9.570 -19.128 1.00 0.00 H new ATOM 0 HB THR A 37 6.378 7.514 -19.438 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.721 9.606 -17.969 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.046 8.915 -20.601 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.689 8.539 -21.689 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.802 10.144 -20.930 1.00 0.00 H new ATOM 624 N LYS A 38 4.000 8.249 -22.050 1.00 0.00 N ATOM 625 CA LYS A 38 3.625 8.536 -23.424 1.00 0.00 C ATOM 626 C LYS A 38 2.112 8.743 -23.502 1.00 0.00 C ATOM 627 O LYS A 38 1.605 9.283 -24.485 1.00 0.00 O ATOM 628 CB LYS A 38 4.146 7.443 -24.359 1.00 0.00 C ATOM 629 CG LYS A 38 5.231 7.990 -25.289 1.00 0.00 C ATOM 630 CD LYS A 38 5.570 6.982 -26.390 1.00 0.00 C ATOM 631 CE LYS A 38 5.542 7.645 -27.769 1.00 0.00 C ATOM 632 NZ LYS A 38 5.269 6.641 -28.821 1.00 0.00 N ATOM 0 H LYS A 38 4.018 7.257 -21.811 1.00 0.00 H new ATOM 0 HA LYS A 38 4.091 9.462 -23.762 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.548 6.618 -23.771 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.323 7.042 -24.950 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.893 8.924 -25.738 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.127 8.219 -24.713 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.557 6.557 -26.207 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.858 6.157 -26.365 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.776 8.421 -27.791 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.497 8.134 -27.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.253 7.107 -29.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.014 5.915 -28.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.347 6.193 -28.643 1.00 0.00 H new ATOM 646 N PHE A 39 1.431 8.303 -22.455 1.00 0.00 N ATOM 647 CA PHE A 39 -0.016 8.432 -22.392 1.00 0.00 C ATOM 648 C PHE A 39 -0.438 9.293 -21.200 1.00 0.00 C ATOM 649 O PHE A 39 -1.380 8.953 -20.488 1.00 0.00 O ATOM 650 CB PHE A 39 -0.585 7.024 -22.218 1.00 0.00 C ATOM 651 CG PHE A 39 -2.095 6.929 -22.444 1.00 0.00 C ATOM 652 CD1 PHE A 39 -2.681 7.661 -23.428 1.00 0.00 C ATOM 653 CD2 PHE A 39 -2.850 6.115 -21.660 1.00 0.00 C ATOM 654 CE1 PHE A 39 -4.083 7.574 -23.639 1.00 0.00 C ATOM 655 CE2 PHE A 39 -4.252 6.028 -21.870 1.00 0.00 C ATOM 656 CZ PHE A 39 -4.838 6.759 -22.856 1.00 0.00 C ATOM 0 H PHE A 39 1.854 7.856 -21.642 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.387 8.909 -23.299 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.081 6.352 -22.913 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.356 6.673 -21.212 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.081 8.309 -24.049 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.384 5.534 -20.878 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.549 8.155 -24.421 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.853 5.382 -21.247 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.904 6.692 -23.017 1.00 0.00 H new ATOM 666 N LEU A 40 0.282 10.391 -21.019 1.00 0.00 N ATOM 667 CA LEU A 40 -0.006 11.302 -19.924 1.00 0.00 C ATOM 668 C LEU A 40 -0.989 12.373 -20.404 1.00 0.00 C ATOM 669 O LEU A 40 -1.992 12.640 -19.744 1.00 0.00 O ATOM 670 CB LEU A 40 1.290 11.873 -19.346 1.00 0.00 C ATOM 671 CG LEU A 40 1.917 11.082 -18.197 1.00 0.00 C ATOM 672 CD1 LEU A 40 3.036 11.881 -17.528 1.00 0.00 C ATOM 673 CD2 LEU A 40 0.851 10.637 -17.192 1.00 0.00 C ATOM 0 H LEU A 40 1.064 10.670 -21.612 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.487 10.770 -19.103 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.021 11.948 -20.151 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.094 12.887 -18.998 1.00 0.00 H new ATOM 0 HG LEU A 40 2.368 10.180 -18.610 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.465 11.296 -16.715 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.811 12.106 -18.261 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.631 12.812 -17.131 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.323 10.077 -16.385 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.350 11.513 -16.781 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.120 10.004 -17.694 1.00 0.00 H new ATOM 685 N GLU A 41 -0.665 12.957 -21.548 1.00 0.00 N ATOM 686 CA GLU A 41 -1.508 13.993 -22.124 1.00 0.00 C ATOM 687 C GLU A 41 -2.959 13.514 -22.203 1.00 0.00 C ATOM 688 O GLU A 41 -3.846 14.104 -21.588 1.00 0.00 O ATOM 689 CB GLU A 41 -0.994 14.415 -23.500 1.00 0.00 C ATOM 690 CG GLU A 41 -1.287 15.894 -23.765 1.00 0.00 C ATOM 691 CD GLU A 41 -0.395 16.438 -24.882 1.00 0.00 C ATOM 692 OE1 GLU A 41 0.818 16.585 -24.619 1.00 0.00 O ATOM 693 OE2 GLU A 41 -0.945 16.693 -25.976 1.00 0.00 O ATOM 0 H GLU A 41 0.169 12.733 -22.092 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.470 14.868 -21.475 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.080 14.237 -23.562 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.464 13.804 -24.271 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.335 16.017 -24.039 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.126 16.469 -22.853 1.00 0.00 H new ATOM 700 N GLU A 42 -3.156 12.449 -22.967 1.00 0.00 N ATOM 701 CA GLU A 42 -4.483 11.884 -23.135 1.00 0.00 C ATOM 702 C GLU A 42 -5.129 11.630 -21.770 1.00 0.00 C ATOM 703 O GLU A 42 -4.589 12.028 -20.740 1.00 0.00 O ATOM 704 CB GLU A 42 -4.433 10.600 -23.965 1.00 0.00 C ATOM 705 CG GLU A 42 -4.035 10.896 -25.412 1.00 0.00 C ATOM 706 CD GLU A 42 -5.264 11.233 -26.258 1.00 0.00 C ATOM 707 OE1 GLU A 42 -5.947 12.218 -25.904 1.00 0.00 O ATOM 708 OE2 GLU A 42 -5.494 10.497 -27.242 1.00 0.00 O ATOM 0 H GLU A 42 -2.418 11.963 -23.476 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.096 12.604 -23.678 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.719 9.905 -23.523 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.407 10.112 -23.945 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.332 11.729 -25.437 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.522 10.033 -25.836 1.00 0.00 H new ATOM 715 N HIS A 43 -6.277 10.970 -21.809 1.00 0.00 N ATOM 716 CA HIS A 43 -7.002 10.660 -20.589 1.00 0.00 C ATOM 717 C HIS A 43 -7.899 11.839 -20.209 1.00 0.00 C ATOM 718 O HIS A 43 -7.417 12.954 -20.023 1.00 0.00 O ATOM 719 CB HIS A 43 -6.038 10.263 -19.469 1.00 0.00 C ATOM 720 CG HIS A 43 -6.389 8.963 -18.786 1.00 0.00 C ATOM 721 ND1 HIS A 43 -5.517 7.890 -18.722 1.00 0.00 N ATOM 722 CD2 HIS A 43 -7.525 8.575 -18.139 1.00 0.00 C ATOM 723 CE1 HIS A 43 -6.112 6.906 -18.062 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.357 7.333 -17.703 1.00 0.00 N ATOM 0 H HIS A 43 -6.723 10.642 -22.666 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.647 9.798 -20.756 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.032 10.185 -19.881 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.016 11.058 -18.724 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.576 7.861 -19.116 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.412 9.177 -18.004 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.686 5.937 -17.847 1.00 0.00 H new ATOM 733 N PRO A 44 -9.222 11.543 -20.102 1.00 0.00 N ATOM 734 CA PRO A 44 -10.192 12.567 -19.748 1.00 0.00 C ATOM 735 C PRO A 44 -10.112 12.906 -18.259 1.00 0.00 C ATOM 736 O PRO A 44 -10.838 13.773 -17.775 1.00 0.00 O ATOM 737 CB PRO A 44 -11.539 11.992 -20.155 1.00 0.00 C ATOM 738 CG PRO A 44 -11.327 10.492 -20.291 1.00 0.00 C ATOM 739 CD PRO A 44 -9.829 10.233 -20.316 1.00 0.00 C ATOM 0 HA PRO A 44 -10.009 13.513 -20.257 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.300 12.213 -19.407 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.881 12.425 -21.095 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.792 9.964 -19.459 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.794 10.122 -21.204 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.536 9.529 -19.537 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.517 9.803 -21.268 1.00 0.00 H new ATOM 747 N GLY A 45 -9.220 12.205 -17.572 1.00 0.00 N ATOM 748 CA GLY A 45 -9.036 12.421 -16.147 1.00 0.00 C ATOM 749 C GLY A 45 -7.858 13.361 -15.883 1.00 0.00 C ATOM 750 O GLY A 45 -8.029 14.423 -15.288 1.00 0.00 O ATOM 0 H GLY A 45 -8.618 11.488 -17.976 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.945 12.843 -15.719 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.863 11.466 -15.650 1.00 0.00 H new ATOM 754 N GLY A 46 -6.689 12.933 -16.337 1.00 0.00 N ATOM 755 CA GLY A 46 -5.483 13.724 -16.157 1.00 0.00 C ATOM 756 C GLY A 46 -4.255 12.823 -16.003 1.00 0.00 C ATOM 757 O GLY A 46 -4.377 11.667 -15.600 1.00 0.00 O ATOM 0 H GLY A 46 -6.551 12.050 -16.829 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.347 14.387 -17.012 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.587 14.357 -15.276 1.00 0.00 H new ATOM 761 N GLU A 47 -3.103 13.387 -16.329 1.00 0.00 N ATOM 762 CA GLU A 47 -1.854 12.649 -16.230 1.00 0.00 C ATOM 763 C GLU A 47 -1.856 11.769 -14.981 1.00 0.00 C ATOM 764 O GLU A 47 -1.518 10.587 -15.049 1.00 0.00 O ATOM 765 CB GLU A 47 -0.655 13.600 -16.233 1.00 0.00 C ATOM 766 CG GLU A 47 -0.648 14.475 -17.488 1.00 0.00 C ATOM 767 CD GLU A 47 -1.106 15.899 -17.163 1.00 0.00 C ATOM 768 OE1 GLU A 47 -0.265 16.659 -16.637 1.00 0.00 O ATOM 769 OE2 GLU A 47 -2.286 16.196 -17.452 1.00 0.00 O ATOM 0 H GLU A 47 -3.007 14.346 -16.662 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.764 12.003 -17.103 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.686 14.232 -15.346 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.269 13.025 -16.182 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.355 14.499 -17.914 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.304 14.041 -18.243 1.00 0.00 H new ATOM 776 N GLU A 48 -2.237 12.377 -13.867 1.00 0.00 N ATOM 777 CA GLU A 48 -2.287 11.663 -12.603 1.00 0.00 C ATOM 778 C GLU A 48 -2.977 10.309 -12.785 1.00 0.00 C ATOM 779 O GLU A 48 -2.425 9.273 -12.419 1.00 0.00 O ATOM 780 CB GLU A 48 -2.988 12.496 -11.530 1.00 0.00 C ATOM 781 CG GLU A 48 -2.125 12.607 -10.271 1.00 0.00 C ATOM 782 CD GLU A 48 -2.777 13.531 -9.239 1.00 0.00 C ATOM 783 OE1 GLU A 48 -2.540 14.754 -9.342 1.00 0.00 O ATOM 784 OE2 GLU A 48 -3.498 12.993 -8.371 1.00 0.00 O ATOM 0 H GLU A 48 -2.514 13.357 -13.814 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.265 11.486 -12.268 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.200 13.492 -11.919 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.946 12.041 -11.279 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.979 11.618 -9.838 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.139 12.989 -10.534 1.00 0.00 H new ATOM 791 N VAL A 49 -4.174 10.363 -13.350 1.00 0.00 N ATOM 792 CA VAL A 49 -4.945 9.154 -13.585 1.00 0.00 C ATOM 793 C VAL A 49 -3.999 8.019 -13.982 1.00 0.00 C ATOM 794 O VAL A 49 -4.273 6.852 -13.705 1.00 0.00 O ATOM 795 CB VAL A 49 -6.031 9.420 -14.630 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.440 9.438 -16.041 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.161 8.394 -14.520 1.00 0.00 C ATOM 0 H VAL A 49 -4.629 11.225 -13.652 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.458 8.846 -12.674 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.454 10.405 -14.432 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.232 9.629 -16.765 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.688 10.224 -16.110 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.978 8.474 -16.254 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.919 8.606 -15.274 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.760 7.393 -14.680 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.609 8.451 -13.528 1.00 0.00 H new ATOM 807 N LEU A 50 -2.904 8.401 -14.624 1.00 0.00 N ATOM 808 CA LEU A 50 -1.917 7.430 -15.061 1.00 0.00 C ATOM 809 C LEU A 50 -0.696 7.501 -14.142 1.00 0.00 C ATOM 810 O LEU A 50 -0.137 6.473 -13.765 1.00 0.00 O ATOM 811 CB LEU A 50 -1.585 7.633 -16.541 1.00 0.00 C ATOM 812 CG LEU A 50 -2.782 7.747 -17.488 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.781 9.095 -18.213 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.822 6.571 -18.464 1.00 0.00 C ATOM 0 H LEU A 50 -2.680 9.370 -14.852 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.317 6.419 -14.983 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.984 8.537 -16.637 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.964 6.800 -16.871 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.694 7.702 -16.893 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.642 9.150 -18.880 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.836 9.901 -17.482 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.865 9.195 -18.795 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.682 6.676 -19.126 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.907 6.559 -19.057 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.905 5.638 -17.906 1.00 0.00 H new ATOM 826 N ARG A 51 -0.317 8.727 -13.809 1.00 0.00 N ATOM 827 CA ARG A 51 0.827 8.947 -12.940 1.00 0.00 C ATOM 828 C ARG A 51 0.555 8.375 -11.548 1.00 0.00 C ATOM 829 O ARG A 51 1.377 7.642 -11.002 1.00 0.00 O ATOM 830 CB ARG A 51 1.148 10.437 -12.818 1.00 0.00 C ATOM 831 CG ARG A 51 2.660 10.674 -12.818 1.00 0.00 C ATOM 832 CD ARG A 51 3.093 11.451 -11.572 1.00 0.00 C ATOM 833 NE ARG A 51 2.728 12.878 -11.715 1.00 0.00 N ATOM 834 CZ ARG A 51 2.733 13.759 -10.705 1.00 0.00 C ATOM 835 NH1 ARG A 51 3.084 13.364 -9.473 1.00 0.00 N ATOM 836 NH2 ARG A 51 2.386 15.035 -10.925 1.00 0.00 N ATOM 0 H ARG A 51 -0.782 9.578 -14.125 1.00 0.00 H new ATOM 0 HA ARG A 51 1.683 8.438 -13.384 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.691 10.980 -13.645 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.714 10.832 -11.899 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.182 9.718 -12.854 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.945 11.227 -13.713 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.615 11.031 -10.687 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.169 11.355 -11.429 1.00 0.00 H new ATOM 0 HE ARG A 51 2.456 13.212 -12.640 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.347 12.393 -9.304 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.088 14.034 -8.704 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.118 15.336 -11.862 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.390 15.705 -10.156 1.00 0.00 H new ATOM 850 N GLU A 52 -0.603 8.732 -11.013 1.00 0.00 N ATOM 851 CA GLU A 52 -0.995 8.264 -9.695 1.00 0.00 C ATOM 852 C GLU A 52 -0.961 6.735 -9.642 1.00 0.00 C ATOM 853 O GLU A 52 -0.879 6.149 -8.564 1.00 0.00 O ATOM 854 CB GLU A 52 -2.378 8.795 -9.312 1.00 0.00 C ATOM 855 CG GLU A 52 -2.285 9.777 -8.143 1.00 0.00 C ATOM 856 CD GLU A 52 -2.212 9.035 -6.807 1.00 0.00 C ATOM 857 OE1 GLU A 52 -3.296 8.766 -6.247 1.00 0.00 O ATOM 858 OE2 GLU A 52 -1.072 8.752 -6.377 1.00 0.00 O ATOM 0 H GLU A 52 -1.283 9.340 -11.469 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.280 8.649 -8.968 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.832 9.289 -10.171 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.029 7.963 -9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.403 10.407 -8.262 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.152 10.438 -8.149 1.00 0.00 H new ATOM 865 N GLN A 53 -1.026 6.133 -10.820 1.00 0.00 N ATOM 866 CA GLN A 53 -1.004 4.684 -10.923 1.00 0.00 C ATOM 867 C GLN A 53 0.388 4.203 -11.339 1.00 0.00 C ATOM 868 O GLN A 53 0.797 3.098 -10.984 1.00 0.00 O ATOM 869 CB GLN A 53 -2.071 4.187 -11.900 1.00 0.00 C ATOM 870 CG GLN A 53 -1.785 4.679 -13.320 1.00 0.00 C ATOM 871 CD GLN A 53 -2.698 3.986 -14.334 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.408 2.917 -14.843 1.00 0.00 O ATOM 873 NE2 GLN A 53 -3.817 4.655 -14.600 1.00 0.00 N ATOM 0 H GLN A 53 -1.094 6.623 -11.712 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.234 4.266 -9.943 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.101 3.097 -11.888 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.053 4.537 -11.581 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.931 5.758 -13.371 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.742 4.486 -13.573 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.000 5.546 -14.139 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.492 4.277 -15.265 1.00 0.00 H new ATOM 882 N ALA A 54 1.077 5.055 -12.082 1.00 0.00 N ATOM 883 CA ALA A 54 2.413 4.730 -12.550 1.00 0.00 C ATOM 884 C ALA A 54 3.281 4.324 -11.357 1.00 0.00 C ATOM 885 O ALA A 54 3.330 5.031 -10.352 1.00 0.00 O ATOM 886 CB ALA A 54 2.991 5.924 -13.313 1.00 0.00 C ATOM 0 H ALA A 54 0.735 5.971 -12.372 1.00 0.00 H new ATOM 0 HA ALA A 54 2.384 3.886 -13.239 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.994 5.680 -13.664 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.353 6.154 -14.167 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.038 6.790 -12.652 1.00 0.00 H new ATOM 892 N GLY A 55 3.944 3.187 -11.509 1.00 0.00 N ATOM 893 CA GLY A 55 4.808 2.679 -10.457 1.00 0.00 C ATOM 894 C GLY A 55 4.426 1.246 -10.079 1.00 0.00 C ATOM 895 O GLY A 55 4.854 0.739 -9.044 1.00 0.00 O ATOM 0 H GLY A 55 3.900 2.603 -12.344 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.846 2.707 -10.788 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.736 3.322 -9.580 1.00 0.00 H new ATOM 899 N GLY A 56 3.625 0.635 -10.940 1.00 0.00 N ATOM 900 CA GLY A 56 3.181 -0.730 -10.709 1.00 0.00 C ATOM 901 C GLY A 56 1.952 -1.058 -11.560 1.00 0.00 C ATOM 902 O GLY A 56 1.533 -0.250 -12.388 1.00 0.00 O ATOM 0 H GLY A 56 3.272 1.059 -11.798 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.988 -1.424 -10.946 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.944 -0.866 -9.654 1.00 0.00 H new ATOM 906 N ASP A 57 1.409 -2.244 -11.326 1.00 0.00 N ATOM 907 CA ASP A 57 0.237 -2.689 -12.061 1.00 0.00 C ATOM 908 C ASP A 57 -0.949 -1.786 -11.714 1.00 0.00 C ATOM 909 O ASP A 57 -1.215 -1.529 -10.541 1.00 0.00 O ATOM 910 CB ASP A 57 -0.135 -4.124 -11.688 1.00 0.00 C ATOM 911 CG ASP A 57 -1.636 -4.420 -11.671 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.321 -3.926 -12.592 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.064 -5.131 -10.738 1.00 0.00 O ATOM 0 H ASP A 57 1.759 -2.910 -10.638 1.00 0.00 H new ATOM 0 HA ASP A 57 0.468 -2.643 -13.125 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.346 -4.803 -12.393 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.275 -4.345 -10.702 1.00 0.00 H new ATOM 918 N ALA A 58 -1.630 -1.330 -12.755 1.00 0.00 N ATOM 919 CA ALA A 58 -2.781 -0.463 -12.575 1.00 0.00 C ATOM 920 C ALA A 58 -4.049 -1.217 -12.980 1.00 0.00 C ATOM 921 O ALA A 58 -5.158 -0.793 -12.657 1.00 0.00 O ATOM 922 CB ALA A 58 -2.583 0.821 -13.383 1.00 0.00 C ATOM 0 H ALA A 58 -1.406 -1.545 -13.727 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.887 -0.177 -11.529 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.447 1.472 -13.248 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.685 1.333 -13.038 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.476 0.573 -14.439 1.00 0.00 H new ATOM 928 N THR A 59 -3.845 -2.322 -13.682 1.00 0.00 N ATOM 929 CA THR A 59 -4.958 -3.139 -14.134 1.00 0.00 C ATOM 930 C THR A 59 -5.972 -3.331 -13.004 1.00 0.00 C ATOM 931 O THR A 59 -7.162 -3.067 -13.179 1.00 0.00 O ATOM 932 CB THR A 59 -4.392 -4.454 -14.673 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.270 -4.799 -15.741 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.545 -5.607 -13.680 1.00 0.00 C ATOM 0 H THR A 59 -2.924 -2.671 -13.949 1.00 0.00 H new ATOM 0 HA THR A 59 -5.505 -2.650 -14.940 1.00 0.00 H new ATOM 0 HB THR A 59 -3.338 -4.322 -14.918 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.886 -4.056 -15.911 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.127 -6.517 -14.112 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.015 -5.366 -12.758 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.602 -5.761 -13.461 1.00 0.00 H new ATOM 942 N GLU A 60 -5.465 -3.790 -11.870 1.00 0.00 N ATOM 943 CA GLU A 60 -6.311 -4.022 -10.711 1.00 0.00 C ATOM 944 C GLU A 60 -7.304 -2.870 -10.541 1.00 0.00 C ATOM 945 O GLU A 60 -8.395 -3.060 -10.006 1.00 0.00 O ATOM 946 CB GLU A 60 -5.471 -4.213 -9.447 1.00 0.00 C ATOM 947 CG GLU A 60 -4.511 -3.038 -9.244 1.00 0.00 C ATOM 948 CD GLU A 60 -4.849 -2.267 -7.967 1.00 0.00 C ATOM 949 OE1 GLU A 60 -6.059 -2.049 -7.739 1.00 0.00 O ATOM 950 OE2 GLU A 60 -3.891 -1.914 -7.246 1.00 0.00 O ATOM 0 H GLU A 60 -4.479 -4.008 -11.728 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.874 -4.941 -10.874 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.126 -4.306 -8.581 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.905 -5.142 -9.519 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.486 -3.406 -9.190 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.564 -2.368 -10.102 1.00 0.00 H new ATOM 957 N ASN A 61 -6.891 -1.701 -11.007 1.00 0.00 N ATOM 958 CA ASN A 61 -7.729 -0.519 -10.912 1.00 0.00 C ATOM 959 C ASN A 61 -8.402 -0.267 -12.263 1.00 0.00 C ATOM 960 O ASN A 61 -9.624 -0.146 -12.338 1.00 0.00 O ATOM 961 CB ASN A 61 -6.900 0.719 -10.559 1.00 0.00 C ATOM 962 CG ASN A 61 -7.496 1.454 -9.357 1.00 0.00 C ATOM 963 OD1 ASN A 61 -8.412 2.250 -9.475 1.00 0.00 O ATOM 964 ND2 ASN A 61 -6.927 1.141 -8.196 1.00 0.00 N ATOM 0 H ASN A 61 -5.986 -1.547 -11.452 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.468 -0.692 -10.130 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.875 0.423 -10.337 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.859 1.390 -11.417 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.255 1.576 -7.334 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.163 0.466 -8.168 1.00 0.00 H new ATOM 971 N PHE A 62 -7.576 -0.196 -13.296 1.00 0.00 N ATOM 972 CA PHE A 62 -8.076 0.039 -14.640 1.00 0.00 C ATOM 973 C PHE A 62 -9.197 -0.943 -14.987 1.00 0.00 C ATOM 974 O PHE A 62 -9.963 -0.711 -15.921 1.00 0.00 O ATOM 975 CB PHE A 62 -6.904 -0.184 -15.598 1.00 0.00 C ATOM 976 CG PHE A 62 -7.233 -1.095 -16.782 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.451 -2.422 -16.579 1.00 0.00 C ATOM 978 CD2 PHE A 62 -7.309 -0.578 -18.037 1.00 0.00 C ATOM 979 CE1 PHE A 62 -7.755 -3.268 -17.678 1.00 0.00 C ATOM 980 CE2 PHE A 62 -7.614 -1.424 -19.137 1.00 0.00 C ATOM 981 CZ PHE A 62 -7.831 -2.751 -18.934 1.00 0.00 C ATOM 0 H PHE A 62 -6.563 -0.297 -13.230 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.478 1.049 -14.717 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.570 0.781 -15.978 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.071 -0.614 -15.042 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.393 -2.832 -15.582 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.137 0.476 -18.198 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.926 -4.322 -17.517 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.673 -1.013 -20.134 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.064 -3.394 -19.770 1.00 0.00 H new ATOM 991 N GLU A 63 -9.257 -2.019 -14.216 1.00 0.00 N ATOM 992 CA GLU A 63 -10.271 -3.037 -14.430 1.00 0.00 C ATOM 993 C GLU A 63 -11.585 -2.625 -13.763 1.00 0.00 C ATOM 994 O GLU A 63 -12.665 -2.942 -14.260 1.00 0.00 O ATOM 995 CB GLU A 63 -9.798 -4.398 -13.918 1.00 0.00 C ATOM 996 CG GLU A 63 -9.226 -5.245 -15.057 1.00 0.00 C ATOM 997 CD GLU A 63 -10.064 -6.505 -15.279 1.00 0.00 C ATOM 998 OE1 GLU A 63 -9.943 -7.423 -14.437 1.00 0.00 O ATOM 999 OE2 GLU A 63 -10.805 -6.524 -16.285 1.00 0.00 O ATOM 0 H GLU A 63 -8.620 -2.208 -13.442 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.445 -3.130 -15.502 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.039 -4.257 -13.149 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.631 -4.924 -13.452 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.198 -4.656 -15.974 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.198 -5.524 -14.826 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.451 -1.926 -12.646 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.615 -1.468 -11.905 1.00 0.00 C ATOM 1008 C ASP A 64 -13.287 -0.327 -12.673 1.00 0.00 C ATOM 1009 O ASP A 64 -14.503 -0.161 -12.605 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.215 -0.938 -10.527 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.197 0.059 -9.908 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -13.162 1.232 -10.339 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -13.962 -0.374 -9.018 1.00 0.00 O ATOM 0 H ASP A 64 -10.554 -1.665 -12.236 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.293 -2.313 -11.785 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.102 -1.783 -9.848 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -11.238 -0.461 -10.607 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.465 0.427 -13.388 1.00 0.00 N ATOM 1019 CA VAL A 65 -12.965 1.546 -14.168 1.00 0.00 C ATOM 1020 C VAL A 65 -13.475 1.034 -15.516 1.00 0.00 C ATOM 1021 O VAL A 65 -13.897 1.820 -16.363 1.00 0.00 O ATOM 1022 CB VAL A 65 -11.878 2.615 -14.305 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.488 2.012 -14.102 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.977 3.325 -15.657 1.00 0.00 C ATOM 0 H VAL A 65 -11.456 0.285 -13.443 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.806 2.020 -13.662 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.037 3.358 -13.524 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.734 2.793 -14.205 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.423 1.574 -13.106 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.314 1.239 -14.850 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.194 4.080 -15.730 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.856 2.598 -16.460 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.952 3.804 -15.746 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.419 -0.281 -15.674 1.00 0.00 N ATOM 1035 CA GLY A 66 -13.870 -0.906 -16.906 1.00 0.00 C ATOM 1036 C GLY A 66 -13.622 0.008 -18.107 1.00 0.00 C ATOM 1037 O GLY A 66 -14.544 0.660 -18.596 1.00 0.00 O ATOM 0 H GLY A 66 -13.068 -0.930 -14.970 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.348 -1.852 -17.050 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.933 -1.136 -16.833 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.374 0.026 -18.550 1.00 0.00 N ATOM 1042 CA HIS A 67 -11.994 0.849 -19.686 1.00 0.00 C ATOM 1043 C HIS A 67 -12.672 0.322 -20.951 1.00 0.00 C ATOM 1044 O HIS A 67 -13.429 -0.646 -20.896 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.471 0.924 -19.816 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.815 1.867 -18.836 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.407 1.472 -17.574 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.502 3.190 -18.946 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -8.874 2.518 -16.961 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.934 3.582 -17.812 1.00 0.00 N ATOM 0 H HIS A 67 -11.612 -0.516 -18.143 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.338 1.871 -19.531 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.056 -0.074 -19.677 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.218 1.236 -20.829 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.501 0.535 -17.183 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.685 3.813 -19.809 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.464 2.527 -15.962 1.00 0.00 H new ATOM 1059 N SER A 68 -12.377 0.984 -22.061 1.00 0.00 N ATOM 1060 CA SER A 68 -12.950 0.594 -23.339 1.00 0.00 C ATOM 1061 C SER A 68 -11.912 -0.167 -24.165 1.00 0.00 C ATOM 1062 O SER A 68 -10.711 0.015 -23.981 1.00 0.00 O ATOM 1063 CB SER A 68 -13.454 1.814 -24.111 1.00 0.00 C ATOM 1064 OG SER A 68 -12.416 2.438 -24.860 1.00 0.00 O ATOM 0 H SER A 68 -11.749 1.787 -22.102 1.00 0.00 H new ATOM 0 HA SER A 68 -13.803 -0.058 -23.149 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.255 1.511 -24.785 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.880 2.534 -23.413 1.00 0.00 H new ATOM 0 HG SER A 68 -12.025 3.166 -24.334 1.00 0.00 H new ATOM 1070 N THR A 69 -12.416 -1.004 -25.063 1.00 0.00 N ATOM 1071 CA THR A 69 -11.549 -1.794 -25.919 1.00 0.00 C ATOM 1072 C THR A 69 -10.593 -0.884 -26.695 1.00 0.00 C ATOM 1073 O THR A 69 -9.543 -1.328 -27.154 1.00 0.00 O ATOM 1074 CB THR A 69 -12.432 -2.658 -26.820 1.00 0.00 C ATOM 1075 OG1 THR A 69 -12.728 -3.801 -26.024 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.668 -3.226 -28.019 1.00 0.00 C ATOM 0 H THR A 69 -13.414 -1.151 -25.215 1.00 0.00 H new ATOM 0 HA THR A 69 -10.913 -2.457 -25.333 1.00 0.00 H new ATOM 0 HB THR A 69 -13.276 -2.067 -27.175 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.299 -4.414 -26.532 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.341 -3.831 -28.626 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.275 -2.407 -28.621 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.843 -3.845 -27.665 1.00 0.00 H new ATOM 1084 N ASP A 70 -10.995 0.373 -26.817 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.188 1.349 -27.530 1.00 0.00 C ATOM 1086 C ASP A 70 -9.018 1.783 -26.644 1.00 0.00 C ATOM 1087 O ASP A 70 -7.877 1.839 -27.100 1.00 0.00 O ATOM 1088 CB ASP A 70 -11.007 2.595 -27.874 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.290 3.619 -28.755 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -9.460 3.175 -29.578 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -10.586 4.821 -28.585 1.00 0.00 O ATOM 0 H ASP A 70 -11.868 0.738 -26.435 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.833 0.885 -28.450 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.922 2.282 -28.378 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.305 3.083 -26.946 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.343 2.079 -25.394 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.334 2.505 -24.440 1.00 0.00 C ATOM 1098 C ALA A 71 -7.251 1.430 -24.335 1.00 0.00 C ATOM 1099 O ALA A 71 -6.061 1.742 -24.313 1.00 0.00 O ATOM 1100 CB ALA A 71 -8.996 2.798 -23.093 1.00 0.00 C ATOM 0 H ALA A 71 -10.291 2.032 -25.020 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.854 3.425 -24.775 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.239 3.118 -22.377 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.736 3.589 -23.216 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.486 1.897 -22.725 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.701 0.185 -24.272 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.785 -0.938 -24.170 1.00 0.00 C ATOM 1108 C ARG A 72 -5.939 -1.051 -25.441 1.00 0.00 C ATOM 1109 O ARG A 72 -4.718 -1.174 -25.370 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.542 -2.249 -23.951 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.564 -2.109 -22.821 1.00 0.00 C ATOM 1112 CD ARG A 72 -9.320 -3.421 -22.600 1.00 0.00 C ATOM 1113 NE ARG A 72 -9.854 -3.472 -21.220 1.00 0.00 N ATOM 1114 CZ ARG A 72 -10.565 -4.495 -20.728 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -10.832 -5.559 -21.498 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -11.008 -4.455 -19.465 1.00 0.00 N ATOM 0 H ARG A 72 -8.688 -0.070 -24.290 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.136 -0.759 -23.312 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.049 -2.538 -24.871 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.837 -3.045 -23.712 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.057 -1.818 -21.901 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.270 -1.314 -23.061 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.136 -3.505 -23.318 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.655 -4.267 -22.773 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.669 -2.679 -20.606 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.494 -5.590 -22.460 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.374 -6.337 -21.122 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.804 -3.646 -18.878 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.550 -5.234 -19.090 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.625 -1.006 -26.574 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.952 -1.102 -27.859 1.00 0.00 C ATOM 1132 C GLU A 73 -4.915 0.013 -28.000 1.00 0.00 C ATOM 1133 O GLU A 73 -3.815 -0.217 -28.501 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.960 -1.061 -29.009 1.00 0.00 C ATOM 1135 CG GLU A 73 -6.861 -2.323 -29.870 1.00 0.00 C ATOM 1136 CD GLU A 73 -8.039 -3.261 -29.606 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -9.186 -2.793 -29.771 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -7.766 -4.427 -29.245 1.00 0.00 O ATOM 0 H GLU A 73 -7.638 -0.904 -26.629 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.435 -2.060 -27.906 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.970 -0.967 -28.609 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.778 -0.181 -29.625 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.840 -2.047 -30.924 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.925 -2.840 -29.657 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.300 1.198 -27.548 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.417 2.349 -27.618 1.00 0.00 C ATOM 1147 C LEU A 74 -3.173 2.085 -26.768 1.00 0.00 C ATOM 1148 O LEU A 74 -2.064 2.452 -27.152 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.168 3.625 -27.229 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.726 4.292 -25.924 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.651 5.346 -26.184 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -5.926 4.868 -25.170 1.00 0.00 C ATOM 0 H LEU A 74 -6.212 1.385 -27.132 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.077 2.506 -28.642 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.060 4.347 -28.038 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.229 3.389 -27.152 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.280 3.531 -25.284 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.355 5.804 -25.240 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.784 4.875 -26.646 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.046 6.112 -26.851 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.585 5.336 -24.247 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.423 5.612 -25.792 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.626 4.067 -24.933 1.00 0.00 H new ATOM 1164 N SER A 75 -3.400 1.449 -25.629 1.00 0.00 N ATOM 1165 CA SER A 75 -2.311 1.130 -24.721 1.00 0.00 C ATOM 1166 C SER A 75 -1.271 0.263 -25.435 1.00 0.00 C ATOM 1167 O SER A 75 -0.096 0.268 -25.067 1.00 0.00 O ATOM 1168 CB SER A 75 -2.826 0.417 -23.470 1.00 0.00 C ATOM 1169 OG SER A 75 -3.022 -0.977 -23.692 1.00 0.00 O ATOM 0 H SER A 75 -4.321 1.146 -25.314 1.00 0.00 H new ATOM 0 HA SER A 75 -1.844 2.064 -24.407 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.117 0.558 -22.655 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.766 0.870 -23.156 1.00 0.00 H new ATOM 0 HG SER A 75 -2.583 -1.487 -22.979 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.740 -0.461 -26.440 1.00 0.00 N ATOM 1176 CA LYS A 76 -0.866 -1.331 -27.208 1.00 0.00 C ATOM 1177 C LYS A 76 0.263 -0.499 -27.821 1.00 0.00 C ATOM 1178 O LYS A 76 1.251 -1.049 -28.307 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.671 -2.127 -28.236 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.583 -1.482 -29.621 1.00 0.00 C ATOM 1181 CD LYS A 76 -2.428 -2.250 -30.639 1.00 0.00 C ATOM 1182 CE LYS A 76 -1.609 -3.354 -31.311 1.00 0.00 C ATOM 1183 NZ LYS A 76 -2.500 -4.397 -31.866 1.00 0.00 N ATOM 0 H LYS A 76 -2.715 -0.463 -26.741 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.400 -2.073 -26.559 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.297 -3.150 -28.283 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.713 -2.183 -27.923 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.924 -0.448 -29.567 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.544 -1.458 -29.950 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.294 -2.686 -30.142 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.807 -1.562 -31.395 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.998 -2.928 -32.107 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.925 -3.799 -30.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.927 -5.138 -32.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.065 -4.815 -31.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.135 -3.972 -32.571 1.00 0.00 H new ATOM 1197 N THR A 77 0.079 0.812 -27.781 1.00 0.00 N ATOM 1198 CA THR A 77 1.069 1.725 -28.326 1.00 0.00 C ATOM 1199 C THR A 77 2.099 2.094 -27.257 1.00 0.00 C ATOM 1200 O THR A 77 3.258 2.360 -27.573 1.00 0.00 O ATOM 1201 CB THR A 77 0.331 2.935 -28.902 1.00 0.00 C ATOM 1202 OG1 THR A 77 0.002 3.717 -27.757 1.00 0.00 O ATOM 1203 CG2 THR A 77 -1.028 2.562 -29.500 1.00 0.00 C ATOM 0 H THR A 77 -0.742 1.264 -27.379 1.00 0.00 H new ATOM 0 HA THR A 77 1.636 1.259 -29.132 1.00 0.00 H new ATOM 0 HB THR A 77 0.948 3.406 -29.667 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.497 3.167 -27.118 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.510 3.457 -29.895 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.886 1.841 -30.305 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.658 2.122 -28.726 1.00 0.00 H new ATOM 1211 N PHE A 78 1.641 2.098 -26.014 1.00 0.00 N ATOM 1212 CA PHE A 78 2.509 2.430 -24.896 1.00 0.00 C ATOM 1213 C PHE A 78 3.227 1.185 -24.372 1.00 0.00 C ATOM 1214 O PHE A 78 4.243 1.293 -23.686 1.00 0.00 O ATOM 1215 CB PHE A 78 1.617 2.995 -23.790 1.00 0.00 C ATOM 1216 CG PHE A 78 0.662 4.094 -24.261 1.00 0.00 C ATOM 1217 CD1 PHE A 78 1.109 5.075 -25.091 1.00 0.00 C ATOM 1218 CD2 PHE A 78 -0.634 4.091 -23.847 1.00 0.00 C ATOM 1219 CE1 PHE A 78 0.222 6.094 -25.527 1.00 0.00 C ATOM 1220 CE2 PHE A 78 -1.520 5.112 -24.284 1.00 0.00 C ATOM 1221 CZ PHE A 78 -1.074 6.092 -25.114 1.00 0.00 C ATOM 0 H PHE A 78 0.679 1.877 -25.756 1.00 0.00 H new ATOM 0 HA PHE A 78 3.267 3.147 -25.212 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.034 2.182 -23.357 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.249 3.393 -22.996 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.138 5.078 -25.418 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.989 3.313 -23.187 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.577 6.872 -26.187 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.549 5.110 -23.956 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.748 6.868 -25.445 1.00 0.00 H new ATOM 1231 N ILE A 79 2.673 0.032 -24.714 1.00 0.00 N ATOM 1232 CA ILE A 79 3.247 -1.231 -24.286 1.00 0.00 C ATOM 1233 C ILE A 79 4.765 -1.185 -24.474 1.00 0.00 C ATOM 1234 O ILE A 79 5.256 -1.179 -25.601 1.00 0.00 O ATOM 1235 CB ILE A 79 2.574 -2.399 -25.011 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.353 -2.895 -24.232 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.574 -3.524 -25.286 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.074 -4.369 -24.535 1.00 0.00 C ATOM 0 H ILE A 79 1.831 -0.054 -25.284 1.00 0.00 H new ATOM 0 HA ILE A 79 3.060 -1.394 -23.225 1.00 0.00 H new ATOM 0 HB ILE A 79 2.218 -2.042 -25.978 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.521 -2.765 -23.163 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.482 -2.295 -24.493 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.070 -4.341 -25.802 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.384 -3.146 -25.910 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.982 -3.887 -24.343 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.202 -4.698 -23.970 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.883 -4.491 -25.601 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.938 -4.969 -24.250 1.00 0.00 H new ATOM 1250 N ILE A 80 5.467 -1.153 -23.350 1.00 0.00 N ATOM 1251 CA ILE A 80 6.919 -1.107 -23.375 1.00 0.00 C ATOM 1252 C ILE A 80 7.472 -2.523 -23.201 1.00 0.00 C ATOM 1253 O ILE A 80 8.544 -2.841 -23.714 1.00 0.00 O ATOM 1254 CB ILE A 80 7.441 -0.111 -22.338 1.00 0.00 C ATOM 1255 CG1 ILE A 80 7.017 -0.516 -20.925 1.00 0.00 C ATOM 1256 CG2 ILE A 80 7.008 1.316 -22.681 1.00 0.00 C ATOM 1257 CD1 ILE A 80 8.196 -1.098 -20.143 1.00 0.00 C ATOM 0 H ILE A 80 5.057 -1.158 -22.416 1.00 0.00 H new ATOM 0 HA ILE A 80 7.273 -0.742 -24.339 1.00 0.00 H new ATOM 0 HB ILE A 80 8.531 -0.131 -22.364 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.620 0.352 -20.398 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.214 -1.251 -20.979 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.392 2.004 -21.928 1.00 0.00 H new ATOM 0 HG22 ILE A 80 7.403 1.591 -23.659 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.920 1.371 -22.701 1.00 0.00 H new ATOM 0 HD11 ILE A 80 7.866 -1.377 -19.142 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.575 -1.980 -20.659 1.00 0.00 H new ATOM 0 HD13 ILE A 80 8.987 -0.352 -20.069 1.00 0.00 H new ATOM 1269 N GLY A 81 6.716 -3.335 -22.477 1.00 0.00 N ATOM 1270 CA GLY A 81 7.118 -4.709 -22.228 1.00 0.00 C ATOM 1271 C GLY A 81 6.023 -5.474 -21.483 1.00 0.00 C ATOM 1272 O GLY A 81 4.836 -5.277 -21.740 1.00 0.00 O ATOM 0 H GLY A 81 5.827 -3.068 -22.055 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.334 -5.206 -23.174 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.038 -4.722 -21.643 1.00 0.00 H new ATOM 1276 N GLU A 82 6.460 -6.334 -20.574 1.00 0.00 N ATOM 1277 CA GLU A 82 5.530 -7.130 -19.789 1.00 0.00 C ATOM 1278 C GLU A 82 6.154 -7.496 -18.441 1.00 0.00 C ATOM 1279 O GLU A 82 7.372 -7.616 -18.328 1.00 0.00 O ATOM 1280 CB GLU A 82 5.102 -8.384 -20.554 1.00 0.00 C ATOM 1281 CG GLU A 82 5.153 -8.149 -22.066 1.00 0.00 C ATOM 1282 CD GLU A 82 4.847 -9.438 -22.831 1.00 0.00 C ATOM 1283 OE1 GLU A 82 5.693 -10.355 -22.760 1.00 0.00 O ATOM 1284 OE2 GLU A 82 3.772 -9.478 -23.470 1.00 0.00 O ATOM 0 H GLU A 82 7.445 -6.497 -20.364 1.00 0.00 H new ATOM 0 HA GLU A 82 4.636 -6.534 -19.604 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.755 -9.216 -20.290 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.091 -8.666 -20.260 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.434 -7.378 -22.342 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.139 -7.780 -22.347 1.00 0.00 H new ATOM 1291 N LEU A 83 5.288 -7.663 -17.451 1.00 0.00 N ATOM 1292 CA LEU A 83 5.737 -8.012 -16.115 1.00 0.00 C ATOM 1293 C LEU A 83 6.417 -9.383 -16.151 1.00 0.00 C ATOM 1294 O LEU A 83 5.784 -10.384 -16.489 1.00 0.00 O ATOM 1295 CB LEU A 83 4.577 -7.927 -15.121 1.00 0.00 C ATOM 1296 CG LEU A 83 4.964 -7.687 -13.660 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.409 -8.113 -13.397 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.713 -6.231 -13.258 1.00 0.00 C ATOM 0 H LEU A 83 4.278 -7.563 -17.549 1.00 0.00 H new ATOM 0 HA LEU A 83 6.481 -7.296 -15.764 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.912 -7.124 -15.437 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.007 -8.854 -15.178 1.00 0.00 H new ATOM 0 HG LEU A 83 4.326 -8.309 -13.032 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.657 -7.931 -12.351 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.521 -9.175 -13.618 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.080 -7.537 -14.034 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.996 -6.087 -12.215 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.308 -5.571 -13.890 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.656 -5.996 -13.382 1.00 0.00 H new ATOM 1310 N HIS A 84 7.694 -9.383 -15.801 1.00 0.00 N ATOM 1311 CA HIS A 84 8.465 -10.615 -15.789 1.00 0.00 C ATOM 1312 C HIS A 84 7.939 -11.541 -14.690 1.00 0.00 C ATOM 1313 O HIS A 84 6.938 -11.235 -14.044 1.00 0.00 O ATOM 1314 CB HIS A 84 9.960 -10.319 -15.650 1.00 0.00 C ATOM 1315 CG HIS A 84 10.813 -10.936 -16.733 1.00 0.00 C ATOM 1316 ND1 HIS A 84 10.312 -11.278 -17.978 1.00 0.00 N ATOM 1317 CD2 HIS A 84 12.135 -11.270 -16.745 1.00 0.00 C ATOM 1318 CE1 HIS A 84 11.299 -11.792 -18.697 1.00 0.00 C ATOM 1319 NE2 HIS A 84 12.427 -11.787 -17.931 1.00 0.00 N ATOM 0 H HIS A 84 8.214 -8.551 -15.524 1.00 0.00 H new ATOM 0 HA HIS A 84 8.343 -11.133 -16.740 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.108 -9.239 -15.657 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.303 -10.682 -14.681 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.827 -11.136 -15.927 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.223 -12.152 -19.712 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.344 -12.125 -18.222 1.00 0.00 H new ATOM 1328 N PRO A 85 8.656 -12.683 -14.509 1.00 0.00 N ATOM 1329 CA PRO A 85 8.272 -13.654 -13.500 1.00 0.00 C ATOM 1330 C PRO A 85 8.636 -13.162 -12.098 1.00 0.00 C ATOM 1331 O PRO A 85 8.579 -13.924 -11.134 1.00 0.00 O ATOM 1332 CB PRO A 85 8.998 -14.933 -13.888 1.00 0.00 C ATOM 1333 CG PRO A 85 10.119 -14.507 -14.823 1.00 0.00 C ATOM 1334 CD PRO A 85 9.846 -13.077 -15.257 1.00 0.00 C ATOM 0 HA PRO A 85 7.195 -13.818 -13.463 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.394 -15.440 -13.008 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.322 -15.632 -14.381 1.00 0.00 H new ATOM 0 HG2 PRO A 85 11.083 -14.575 -14.319 1.00 0.00 H new ATOM 0 HG3 PRO A 85 10.165 -15.167 -15.689 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.690 -12.426 -15.029 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.677 -13.015 -16.332 1.00 0.00 H new ATOM 1342 N ASP A 86 9.001 -11.890 -12.028 1.00 0.00 N ATOM 1343 CA ASP A 86 9.374 -11.287 -10.760 1.00 0.00 C ATOM 1344 C ASP A 86 8.108 -10.977 -9.956 1.00 0.00 C ATOM 1345 O ASP A 86 8.149 -10.914 -8.729 1.00 0.00 O ATOM 1346 CB ASP A 86 10.130 -9.974 -10.976 1.00 0.00 C ATOM 1347 CG ASP A 86 9.836 -8.882 -9.946 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.241 -9.078 -8.780 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.212 -7.876 -10.348 1.00 0.00 O ATOM 0 H ASP A 86 9.046 -11.260 -12.829 1.00 0.00 H new ATOM 0 HA ASP A 86 10.016 -11.989 -10.228 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.200 -10.182 -10.967 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.888 -9.592 -11.968 1.00 0.00 H new ATOM 1354 N ASP A 87 7.015 -10.793 -10.682 1.00 0.00 N ATOM 1355 CA ASP A 87 5.742 -10.493 -10.051 1.00 0.00 C ATOM 1356 C ASP A 87 4.686 -10.252 -11.133 1.00 0.00 C ATOM 1357 O ASP A 87 4.014 -9.222 -11.131 1.00 0.00 O ATOM 1358 CB ASP A 87 5.836 -9.228 -9.194 1.00 0.00 C ATOM 1359 CG ASP A 87 6.243 -9.462 -7.739 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.490 -10.181 -7.047 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.299 -8.918 -7.349 1.00 0.00 O ATOM 0 H ASP A 87 6.985 -10.846 -11.700 1.00 0.00 H new ATOM 0 HA ASP A 87 5.472 -11.339 -9.418 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.556 -8.550 -9.652 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.869 -8.725 -9.209 1.00 0.00 H new ATOM 1366 N ARG A 88 4.573 -11.221 -12.030 1.00 0.00 N ATOM 1367 CA ARG A 88 3.611 -11.128 -13.115 1.00 0.00 C ATOM 1368 C ARG A 88 2.302 -11.816 -12.723 1.00 0.00 C ATOM 1369 O ARG A 88 1.227 -11.233 -12.857 1.00 0.00 O ATOM 1370 CB ARG A 88 4.156 -11.773 -14.391 1.00 0.00 C ATOM 1371 CG ARG A 88 4.421 -13.265 -14.181 1.00 0.00 C ATOM 1372 CD ARG A 88 5.193 -13.856 -15.363 1.00 0.00 C ATOM 1373 NE ARG A 88 4.704 -15.222 -15.655 1.00 0.00 N ATOM 1374 CZ ARG A 88 4.884 -16.274 -14.843 1.00 0.00 C ATOM 1375 NH1 ARG A 88 5.542 -16.123 -13.687 1.00 0.00 N ATOM 1376 NH2 ARG A 88 4.405 -17.476 -15.189 1.00 0.00 N ATOM 0 H ARG A 88 5.132 -12.074 -12.027 1.00 0.00 H new ATOM 0 HA ARG A 88 3.427 -10.071 -13.306 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.443 -11.638 -15.204 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.078 -11.275 -14.689 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.988 -13.412 -13.262 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.475 -13.793 -14.059 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.071 -13.222 -16.241 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.259 -13.883 -15.135 1.00 0.00 H new ATOM 0 HE ARG A 88 4.199 -15.373 -16.528 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.907 -15.208 -13.424 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.679 -16.923 -13.070 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.904 -17.591 -16.070 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.542 -18.276 -14.572 1.00 0.00 H new ATOM 1390 N SER A 89 2.435 -13.045 -12.247 1.00 0.00 N ATOM 1391 CA SER A 89 1.277 -13.818 -11.836 1.00 0.00 C ATOM 1392 C SER A 89 0.691 -13.238 -10.546 1.00 0.00 C ATOM 1393 O SER A 89 -0.342 -13.703 -10.064 1.00 0.00 O ATOM 1394 CB SER A 89 1.638 -15.291 -11.637 1.00 0.00 C ATOM 1395 OG SER A 89 0.535 -16.153 -11.902 1.00 0.00 O ATOM 0 H SER A 89 3.328 -13.525 -12.137 1.00 0.00 H new ATOM 0 HA SER A 89 0.530 -13.759 -12.627 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.468 -15.552 -12.294 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.980 -15.445 -10.614 1.00 0.00 H new ATOM 0 HG SER A 89 0.807 -17.084 -11.765 1.00 0.00 H new ATOM 1401 N LYS A 90 1.375 -12.231 -10.025 1.00 0.00 N ATOM 1402 CA LYS A 90 0.937 -11.582 -8.800 1.00 0.00 C ATOM 1403 C LYS A 90 0.084 -10.362 -9.152 1.00 0.00 C ATOM 1404 O LYS A 90 -0.548 -9.769 -8.279 1.00 0.00 O ATOM 1405 CB LYS A 90 2.135 -11.257 -7.906 1.00 0.00 C ATOM 1406 CG LYS A 90 2.271 -12.283 -6.779 1.00 0.00 C ATOM 1407 CD LYS A 90 1.582 -11.791 -5.504 1.00 0.00 C ATOM 1408 CE LYS A 90 0.551 -12.808 -5.011 1.00 0.00 C ATOM 1409 NZ LYS A 90 0.578 -12.898 -3.534 1.00 0.00 N ATOM 0 H LYS A 90 2.230 -11.848 -10.428 1.00 0.00 H new ATOM 0 HA LYS A 90 0.308 -12.255 -8.217 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.047 -11.244 -8.503 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.018 -10.259 -7.483 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.833 -13.231 -7.091 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.326 -12.470 -6.578 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.327 -11.617 -4.728 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.093 -10.836 -5.696 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.445 -12.517 -5.345 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.760 -13.786 -5.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.128 -13.593 -3.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.524 -13.197 -3.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.357 -11.968 -3.125 1.00 0.00 H new ATOM 1423 N ILE A 91 0.095 -10.023 -10.433 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.669 -8.882 -10.911 1.00 0.00 C ATOM 1425 C ILE A 91 -1.567 -9.325 -12.068 1.00 0.00 C ATOM 1426 O ILE A 91 -2.708 -8.878 -12.180 1.00 0.00 O ATOM 1427 CB ILE A 91 0.263 -7.722 -11.266 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.737 -7.825 -12.717 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.433 -7.640 -10.284 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.646 -6.649 -13.081 1.00 0.00 C ATOM 0 H ILE A 91 0.620 -10.518 -11.154 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.323 -8.505 -10.124 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.298 -6.792 -11.176 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.273 -8.763 -12.863 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.125 -7.844 -13.384 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.081 -6.807 -10.558 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.051 -7.485 -9.275 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.002 -8.569 -10.318 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.969 -6.746 -14.117 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.099 -5.714 -12.958 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.518 -6.648 -12.428 1.00 0.00 H new ATOM 1442 N THR A 92 -1.019 -10.200 -12.899 1.00 0.00 N ATOM 1443 CA THR A 92 -1.756 -10.710 -14.044 1.00 0.00 C ATOM 1444 C THR A 92 -3.256 -10.741 -13.740 1.00 0.00 C ATOM 1445 O THR A 92 -3.660 -11.038 -12.617 1.00 0.00 O ATOM 1446 CB THR A 92 -1.181 -12.079 -14.406 1.00 0.00 C ATOM 1447 OG1 THR A 92 -1.625 -12.301 -15.741 1.00 0.00 O ATOM 1448 CG2 THR A 92 -1.822 -13.214 -13.607 1.00 0.00 C ATOM 0 H THR A 92 -0.073 -10.569 -12.802 1.00 0.00 H new ATOM 0 HA THR A 92 -1.644 -10.057 -14.910 1.00 0.00 H new ATOM 0 HB THR A 92 -0.105 -12.077 -14.233 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.295 -13.168 -16.056 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.377 -14.164 -13.903 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.653 -13.050 -12.543 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.894 -13.238 -13.805 1.00 0.00 H new ATOM 1456 N LYS A 93 -4.040 -10.435 -14.763 1.00 0.00 N ATOM 1457 CA LYS A 93 -5.487 -10.424 -14.620 1.00 0.00 C ATOM 1458 C LYS A 93 -6.130 -10.768 -15.964 1.00 0.00 C ATOM 1459 O LYS A 93 -6.133 -9.949 -16.882 1.00 0.00 O ATOM 1460 CB LYS A 93 -5.958 -9.090 -14.036 1.00 0.00 C ATOM 1461 CG LYS A 93 -6.190 -9.206 -12.528 1.00 0.00 C ATOM 1462 CD LYS A 93 -7.663 -9.484 -12.217 1.00 0.00 C ATOM 1463 CE LYS A 93 -7.817 -10.755 -11.380 1.00 0.00 C ATOM 1464 NZ LYS A 93 -9.061 -11.468 -11.745 1.00 0.00 N ATOM 0 H LYS A 93 -3.701 -10.193 -15.694 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.805 -11.187 -13.909 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -5.214 -8.318 -14.235 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.880 -8.779 -14.527 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.572 -10.007 -12.122 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.879 -8.284 -12.037 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -8.091 -8.637 -11.681 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -8.221 -9.587 -13.147 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -6.958 -11.407 -11.537 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.835 -10.500 -10.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -8.882 -12.492 -11.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -9.801 -11.256 -11.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -9.376 -11.158 -12.686 1.00 0.00 H new ATOM 1478 N PRO A 94 -6.672 -12.012 -16.040 1.00 0.00 N ATOM 1479 CA PRO A 94 -7.318 -12.475 -17.257 1.00 0.00 C ATOM 1480 C PRO A 94 -8.693 -11.826 -17.430 1.00 0.00 C ATOM 1481 O PRO A 94 -9.019 -11.329 -18.506 1.00 0.00 O ATOM 1482 CB PRO A 94 -7.387 -13.986 -17.115 1.00 0.00 C ATOM 1483 CG PRO A 94 -7.206 -14.276 -15.634 1.00 0.00 C ATOM 1484 CD PRO A 94 -6.687 -13.009 -14.973 1.00 0.00 C ATOM 0 HA PRO A 94 -6.768 -12.198 -18.157 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.343 -14.368 -17.474 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.609 -14.469 -17.705 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.152 -14.581 -15.186 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -6.505 -15.098 -15.488 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.332 -12.699 -14.151 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.691 -13.159 -14.558 1.00 0.00 H new ATOM 1492 N SER A 95 -9.463 -11.854 -16.353 1.00 0.00 N ATOM 1493 CA SER A 95 -10.796 -11.274 -16.371 1.00 0.00 C ATOM 1494 C SER A 95 -11.358 -11.212 -14.950 1.00 0.00 C ATOM 1495 O SER A 95 -10.757 -11.737 -14.015 1.00 0.00 O ATOM 1496 CB SER A 95 -11.732 -12.075 -17.278 1.00 0.00 C ATOM 1497 OG SER A 95 -11.733 -13.463 -16.953 1.00 0.00 O ATOM 0 H SER A 95 -9.190 -12.269 -15.462 1.00 0.00 H new ATOM 0 HA SER A 95 -10.724 -10.263 -16.771 1.00 0.00 H new ATOM 0 HB2 SER A 95 -12.745 -11.682 -17.191 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.428 -11.946 -18.317 1.00 0.00 H new ATOM 0 HG SER A 95 -12.344 -13.939 -17.553 1.00 0.00 H new ATOM 1503 N GLU A 96 -12.509 -10.564 -14.830 1.00 0.00 N ATOM 1504 CA GLU A 96 -13.161 -10.427 -13.539 1.00 0.00 C ATOM 1505 C GLU A 96 -14.640 -10.083 -13.724 1.00 0.00 C ATOM 1506 O GLU A 96 -15.008 -9.416 -14.690 1.00 0.00 O ATOM 1507 CB GLU A 96 -12.456 -9.375 -12.680 1.00 0.00 C ATOM 1508 CG GLU A 96 -12.452 -9.785 -11.205 1.00 0.00 C ATOM 1509 CD GLU A 96 -13.181 -8.749 -10.347 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -12.580 -7.679 -10.116 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -14.324 -9.051 -9.941 1.00 0.00 O ATOM 0 H GLU A 96 -13.006 -10.128 -15.607 1.00 0.00 H new ATOM 0 HA GLU A 96 -13.094 -11.381 -13.016 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.431 -9.244 -13.028 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -12.957 -8.413 -12.793 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -12.931 -10.758 -11.093 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -11.425 -9.893 -10.857 1.00 0.00 H new ATOM 1518 N SER A 97 -15.446 -10.551 -12.785 1.00 0.00 N ATOM 1519 CA SER A 97 -16.876 -10.301 -12.832 1.00 0.00 C ATOM 1520 C SER A 97 -17.412 -10.055 -11.419 1.00 0.00 C ATOM 1521 O SER A 97 -16.743 -10.363 -10.436 1.00 0.00 O ATOM 1522 CB SER A 97 -17.619 -11.470 -13.484 1.00 0.00 C ATOM 1523 OG SER A 97 -18.030 -11.165 -14.814 1.00 0.00 O ATOM 0 H SER A 97 -15.136 -11.103 -11.985 1.00 0.00 H new ATOM 0 HA SER A 97 -17.047 -9.412 -13.439 1.00 0.00 H new ATOM 0 HB2 SER A 97 -16.974 -12.348 -13.496 1.00 0.00 H new ATOM 0 HB3 SER A 97 -18.493 -11.725 -12.884 1.00 0.00 H new ATOM 0 HG SER A 97 -18.499 -11.936 -15.196 1.00 0.00 H new ATOM 1529 N ILE A 98 -18.614 -9.502 -11.366 1.00 0.00 N ATOM 1530 CA ILE A 98 -19.248 -9.209 -10.091 1.00 0.00 C ATOM 1531 C ILE A 98 -20.730 -9.582 -10.166 1.00 0.00 C ATOM 1532 O ILE A 98 -21.232 -9.935 -11.232 1.00 0.00 O ATOM 1533 CB ILE A 98 -18.998 -7.755 -9.689 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -19.579 -6.792 -10.727 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -17.509 -7.503 -9.444 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -20.270 -5.608 -10.047 1.00 0.00 C ATOM 0 H ILE A 98 -19.166 -9.249 -12.185 1.00 0.00 H new ATOM 0 HA ILE A 98 -18.807 -9.813 -9.298 1.00 0.00 H new ATOM 0 HB ILE A 98 -19.516 -7.566 -8.749 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -18.783 -6.429 -11.378 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -20.292 -7.320 -11.360 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -17.358 -6.462 -9.160 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -17.157 -8.153 -8.643 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -16.949 -7.715 -10.355 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -20.675 -4.938 -10.806 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -21.080 -5.973 -9.416 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -19.548 -5.068 -9.434 1.00 0.00 H new ATOM 1548 N ILE A 99 -21.389 -9.489 -9.020 1.00 0.00 N ATOM 1549 CA ILE A 99 -22.804 -9.811 -8.942 1.00 0.00 C ATOM 1550 C ILE A 99 -23.507 -8.785 -8.051 1.00 0.00 C ATOM 1551 O ILE A 99 -22.919 -8.276 -7.099 1.00 0.00 O ATOM 1552 CB ILE A 99 -23.000 -11.258 -8.487 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -24.187 -11.903 -9.205 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -23.137 -11.340 -6.965 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -23.811 -13.279 -9.758 1.00 0.00 C ATOM 0 H ILE A 99 -20.969 -9.195 -8.138 1.00 0.00 H new ATOM 0 HA ILE A 99 -23.265 -9.747 -9.928 1.00 0.00 H new ATOM 0 HB ILE A 99 -22.111 -11.826 -8.762 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -25.025 -12.001 -8.515 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -24.519 -11.258 -10.019 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -23.275 -12.379 -6.668 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -22.235 -10.946 -6.497 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -23.998 -10.753 -6.645 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -24.672 -13.716 -10.264 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -22.989 -13.174 -10.466 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -23.503 -13.929 -8.939 1.00 0.00 H new ATOM 1567 N THR A 100 -24.757 -8.511 -8.393 1.00 0.00 N ATOM 1568 CA THR A 100 -25.549 -7.555 -7.636 1.00 0.00 C ATOM 1569 C THR A 100 -26.088 -8.202 -6.359 1.00 0.00 C ATOM 1570 O THR A 100 -26.053 -9.424 -6.215 1.00 0.00 O ATOM 1571 CB THR A 100 -26.648 -7.017 -8.555 1.00 0.00 C ATOM 1572 OG1 THR A 100 -27.254 -5.974 -7.796 1.00 0.00 O ATOM 1573 CG2 THR A 100 -27.776 -8.026 -8.772 1.00 0.00 C ATOM 0 H THR A 100 -25.242 -8.934 -9.184 1.00 0.00 H new ATOM 0 HA THR A 100 -24.941 -6.713 -7.305 1.00 0.00 H new ATOM 0 HB THR A 100 -26.216 -6.745 -9.518 1.00 0.00 H new ATOM 0 HG1 THR A 100 -27.978 -5.568 -8.318 1.00 0.00 H new ATOM 0 HG21 THR A 100 -28.529 -7.594 -9.431 1.00 0.00 H new ATOM 0 HG22 THR A 100 -27.372 -8.931 -9.226 1.00 0.00 H new ATOM 0 HG23 THR A 100 -28.232 -8.274 -7.813 1.00 0.00 H new ATOM 1581 N THR A 101 -26.572 -7.354 -5.464 1.00 0.00 N ATOM 1582 CA THR A 101 -27.117 -7.827 -4.203 1.00 0.00 C ATOM 1583 C THR A 101 -28.380 -7.042 -3.839 1.00 0.00 C ATOM 1584 O THR A 101 -28.642 -5.984 -4.408 1.00 0.00 O ATOM 1585 CB THR A 101 -26.015 -7.731 -3.145 1.00 0.00 C ATOM 1586 OG1 THR A 101 -26.585 -8.350 -1.995 1.00 0.00 O ATOM 1587 CG2 THR A 101 -25.755 -6.290 -2.702 1.00 0.00 C ATOM 0 H THR A 101 -26.598 -6.342 -5.587 1.00 0.00 H new ATOM 0 HA THR A 101 -27.429 -8.869 -4.274 1.00 0.00 H new ATOM 0 HB THR A 101 -25.094 -8.162 -3.538 1.00 0.00 H new ATOM 0 HG1 THR A 101 -25.937 -8.334 -1.260 1.00 0.00 H new ATOM 0 HG21 THR A 101 -24.965 -6.277 -1.951 1.00 0.00 H new ATOM 0 HG22 THR A 101 -25.448 -5.695 -3.562 1.00 0.00 H new ATOM 0 HG23 THR A 101 -26.667 -5.870 -2.277 1.00 0.00 H new ATOM 1595 N ILE A 102 -29.128 -7.591 -2.893 1.00 0.00 N ATOM 1596 CA ILE A 102 -30.356 -6.955 -2.447 1.00 0.00 C ATOM 1597 C ILE A 102 -31.232 -6.642 -3.661 1.00 0.00 C ATOM 1598 O ILE A 102 -30.836 -6.888 -4.799 1.00 0.00 O ATOM 1599 CB ILE A 102 -30.043 -5.732 -1.583 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -31.239 -5.359 -0.705 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -29.576 -4.558 -2.445 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -30.779 -4.850 0.661 1.00 0.00 C ATOM 0 H ILE A 102 -28.907 -8.469 -2.423 1.00 0.00 H new ATOM 0 HA ILE A 102 -30.925 -7.630 -1.808 1.00 0.00 H new ATOM 0 HB ILE A 102 -29.221 -5.988 -0.914 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -31.834 -4.592 -1.201 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -31.884 -6.228 -0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -29.360 -3.701 -1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -28.675 -4.842 -2.989 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -30.360 -4.293 -3.155 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -31.649 -4.592 1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -30.205 -5.628 1.165 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -30.154 -3.967 0.529 1.00 0.00 H new ATOM 1614 N ASP A 103 -32.410 -6.104 -3.379 1.00 0.00 N ATOM 1615 CA ASP A 103 -33.347 -5.755 -4.432 1.00 0.00 C ATOM 1616 C ASP A 103 -34.427 -4.832 -3.865 1.00 0.00 C ATOM 1617 O ASP A 103 -34.577 -4.721 -2.648 1.00 0.00 O ATOM 1618 CB ASP A 103 -34.038 -7.001 -4.991 1.00 0.00 C ATOM 1619 CG ASP A 103 -35.076 -7.636 -4.064 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -35.017 -7.330 -2.853 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -35.904 -8.412 -4.586 1.00 0.00 O ATOM 0 H ASP A 103 -32.737 -5.901 -2.434 1.00 0.00 H new ATOM 0 HA ASP A 103 -32.789 -5.263 -5.229 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -34.525 -6.738 -5.930 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -33.277 -7.746 -5.224 1.00 0.00 H new ATOM 1626 N SER A 104 -35.150 -4.192 -4.772 1.00 0.00 N ATOM 1627 CA SER A 104 -36.210 -3.281 -4.376 1.00 0.00 C ATOM 1628 C SER A 104 -36.989 -3.866 -3.196 1.00 0.00 C ATOM 1629 O SER A 104 -36.774 -3.471 -2.050 1.00 0.00 O ATOM 1630 CB SER A 104 -37.156 -2.996 -5.544 1.00 0.00 C ATOM 1631 OG SER A 104 -37.921 -1.811 -5.336 1.00 0.00 O ATOM 0 H SER A 104 -35.023 -4.286 -5.780 1.00 0.00 H new ATOM 0 HA SER A 104 -35.754 -2.338 -4.073 1.00 0.00 H new ATOM 0 HB2 SER A 104 -36.578 -2.897 -6.463 1.00 0.00 H new ATOM 0 HB3 SER A 104 -37.829 -3.843 -5.680 1.00 0.00 H new ATOM 0 HG SER A 104 -38.511 -1.663 -6.105 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -8.066 5.209 -17.724 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.624 7.147 -18.807 1.00 0.00 C HETATM 1640 CHB HEM A 105 -6.972 4.832 -20.963 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.626 3.082 -16.632 1.00 0.00 C HETATM 1642 CHD HEM A 105 -9.010 5.737 -14.481 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.693 5.851 -19.500 1.00 0.00 N HETATM 1644 C1A HEM A 105 -9.819 6.566 -19.780 1.00 0.00 C HETATM 1645 C2A HEM A 105 -10.004 6.683 -21.240 1.00 0.00 C HETATM 1646 C3A HEM A 105 -8.931 6.095 -21.859 1.00 0.00 C HETATM 1647 C4A HEM A 105 -8.112 5.591 -20.780 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.652 5.985 -23.357 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.205 7.304 -21.923 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.435 6.415 -21.803 1.00 0.00 C HETATM 1651 CGA HEM A 105 -12.106 4.942 -21.945 1.00 0.00 C HETATM 1652 O1A HEM A 105 -11.551 4.553 -22.989 1.00 0.00 O HETATM 1653 O2A HEM A 105 -12.437 4.155 -21.039 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.607 4.209 -18.592 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.269 4.173 -19.957 1.00 0.00 C HETATM 1656 C2B HEM A 105 -5.121 3.315 -20.193 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.786 2.771 -18.968 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.686 3.357 -18.000 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.509 3.002 -21.558 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.942 1.681 -18.654 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.655 1.410 -19.063 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.449 4.548 -15.948 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.440 3.630 -15.683 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.322 3.328 -14.241 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.287 4.085 -13.642 1.00 0.00 C HETATM 1666 C4C HEM A 105 -7.957 4.859 -14.697 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.315 2.319 -13.631 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.603 4.151 -12.277 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.618 4.193 -11.303 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.543 6.204 -16.816 1.00 0.00 N HETATM 1671 C1D HEM A 105 -9.764 6.363 -15.444 1.00 0.00 C HETATM 1672 C2D HEM A 105 -10.847 7.277 -15.190 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.258 7.702 -16.397 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.494 6.996 -17.420 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.447 7.655 -13.844 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.255 8.802 -16.665 1.00 0.00 C HETATM 1677 CBD HEM A 105 -13.650 8.231 -16.766 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.399 8.772 -17.961 1.00 0.00 C HETATM 1679 O1D HEM A 105 -13.732 9.129 -18.952 1.00 0.00 O HETATM 1680 O2D HEM A 105 -15.651 8.823 -17.915 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.596 5.951 -23.901 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -8.085 5.075 -23.556 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -8.076 6.850 -23.684 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -3.441 2.816 -21.444 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -4.661 3.849 -22.228 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -4.988 2.117 -21.977 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -5.046 2.638 -12.624 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -4.419 2.279 -14.251 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -5.771 1.330 -13.589 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.352 6.816 -13.155 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.501 7.902 -13.972 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -10.919 8.519 -13.440 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -2.151 0.508 -18.715 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -2.140 2.097 -19.734 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -6.895 4.244 -10.250 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.567 4.175 -11.590 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -13.159 6.697 -22.568 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -12.909 6.586 -20.837 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -10.979 7.474 -22.976 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.414 8.278 -21.480 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.203 8.463 -15.856 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.593 7.145 -16.836 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -11.998 9.318 -17.590 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.214 9.542 -15.866 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.429 7.777 -19.154 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.594 4.742 -21.971 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.876 2.380 -16.298 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.262 5.950 -13.453 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.378 0.940 -17.984 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.650 4.170 -11.975 1.00 0.00 H new