USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=32 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 43 HIS HE2 : A 43 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD Set 1.1: A 75 SER OG : rot -31:sc= -2.17! USER MOD Set 1.2: A 105 HEM CMB :methyl -30:sc= -3.89 (180deg=-2.36!) USER MOD Set 2.1: A 53 GLN : amide:sc= -10! C(o=-23!,f=-31!) USER MOD Set 2.2: A 105 HEM CMC :methyl -30:sc= -13.3! (180deg=-8.98!) USER MOD Set 3.1: A 30 HIS : no HE2:sc= -12.8! C(o=-13!,f=-16!) USER MOD Set 3.2: A 31 TYR OH : rot -140:sc= 0.113 USER MOD Set 4.1: A 25 THR OG1 : rot -79:sc= 1.69 USER MOD Set 4.2: A 37 THR OG1 : rot 33:sc= 1.62 USER MOD Set 5.1: A 19 HIS : no HE2:sc= -4.72! C(o=-8.6!,f=-13!) USER MOD Set 5.2: A 24 SER OG : rot 150:sc= -3.84! USER MOD Set 6.1: A 9 LYS NZ :NH3+ -114:sc= 0.991 (180deg=0) USER MOD Set 6.2: A 10 TYR OH : rot 150:sc= 0.89 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 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.945 USER MOD Single : A 17 GLN : amide:sc= -0.22 K(o=-0.22,f=-1.6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -3.83! C(o=-8.3!,f=-3.8!) 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 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 16:sc= 0.606 USER MOD Single : A 38 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.0806) USER MOD Single : A 59 THR OG1 : rot -26:sc= 1.73 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= -0.0631 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0449 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -55:sc= 0.869 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -8.65! C(o=-11!,f=-8.7!) 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= -0.909 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.116 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.316 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HEM CMA :methyl 150:sc= -2.98! (180deg=-2.98!) USER MOD Single : A 105 HEM CMD :methyl -30:sc= 0 (180deg=-0.213) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 33.833 -1.182 -31.341 1.00 0.00 N ATOM 2 CA ALA A 1 33.729 -2.598 -31.032 1.00 0.00 C ATOM 3 C ALA A 1 32.351 -3.109 -31.458 1.00 0.00 C ATOM 4 O ALA A 1 32.248 -3.987 -32.313 1.00 0.00 O ATOM 5 CB ALA A 1 33.997 -2.817 -29.542 1.00 0.00 C ATOM 0 H1 ALA A 1 34.769 -0.832 -31.053 1.00 0.00 H new ATOM 0 H2 ALA A 1 33.710 -1.040 -32.364 1.00 0.00 H new ATOM 0 H3 ALA A 1 33.094 -0.660 -30.828 1.00 0.00 H new ATOM 0 HA ALA A 1 34.477 -3.167 -31.584 1.00 0.00 H new ATOM 0 HB1 ALA A 1 33.919 -3.879 -29.311 1.00 0.00 H new ATOM 0 HB2 ALA A 1 34.999 -2.465 -29.297 1.00 0.00 H new ATOM 0 HB3 ALA A 1 33.264 -2.263 -28.955 1.00 0.00 H new ATOM 11 N GLU A 2 31.327 -2.538 -30.842 1.00 0.00 N ATOM 12 CA GLU A 2 29.960 -2.923 -31.147 1.00 0.00 C ATOM 13 C GLU A 2 28.980 -2.146 -30.266 1.00 0.00 C ATOM 14 O GLU A 2 29.393 -1.392 -29.387 1.00 0.00 O ATOM 15 CB GLU A 2 29.767 -4.433 -30.982 1.00 0.00 C ATOM 16 CG GLU A 2 29.544 -5.108 -32.336 1.00 0.00 C ATOM 17 CD GLU A 2 29.533 -6.632 -32.194 1.00 0.00 C ATOM 18 OE1 GLU A 2 28.469 -7.157 -31.804 1.00 0.00 O ATOM 19 OE2 GLU A 2 30.591 -7.236 -32.477 1.00 0.00 O ATOM 0 H GLU A 2 31.417 -1.811 -30.132 1.00 0.00 H new ATOM 0 HA GLU A 2 29.757 -2.674 -32.189 1.00 0.00 H new ATOM 0 HB2 GLU A 2 30.642 -4.864 -30.496 1.00 0.00 H new ATOM 0 HB3 GLU A 2 28.914 -4.625 -30.331 1.00 0.00 H new ATOM 0 HG2 GLU A 2 28.599 -4.772 -32.763 1.00 0.00 H new ATOM 0 HG3 GLU A 2 30.330 -4.809 -33.029 1.00 0.00 H new ATOM 26 N GLU A 3 27.699 -2.356 -30.532 1.00 0.00 N ATOM 27 CA GLU A 3 26.656 -1.685 -29.776 1.00 0.00 C ATOM 28 C GLU A 3 25.279 -2.208 -30.188 1.00 0.00 C ATOM 29 O GLU A 3 25.143 -2.855 -31.226 1.00 0.00 O ATOM 30 CB GLU A 3 26.742 -0.168 -29.953 1.00 0.00 C ATOM 31 CG GLU A 3 27.014 0.526 -28.616 1.00 0.00 C ATOM 32 CD GLU A 3 26.781 2.034 -28.724 1.00 0.00 C ATOM 33 OE1 GLU A 3 25.612 2.412 -28.961 1.00 0.00 O ATOM 34 OE2 GLU A 3 27.774 2.776 -28.568 1.00 0.00 O ATOM 0 H GLU A 3 27.360 -2.983 -31.262 1.00 0.00 H new ATOM 0 HA GLU A 3 26.803 -1.904 -28.718 1.00 0.00 H new ATOM 0 HB2 GLU A 3 27.535 0.075 -30.661 1.00 0.00 H new ATOM 0 HB3 GLU A 3 25.810 0.206 -30.378 1.00 0.00 H new ATOM 0 HG2 GLU A 3 26.365 0.108 -27.847 1.00 0.00 H new ATOM 0 HG3 GLU A 3 28.041 0.334 -28.305 1.00 0.00 H new ATOM 41 N SER A 4 24.294 -1.911 -29.354 1.00 0.00 N ATOM 42 CA SER A 4 22.932 -2.344 -29.619 1.00 0.00 C ATOM 43 C SER A 4 22.000 -1.839 -28.517 1.00 0.00 C ATOM 44 O SER A 4 22.454 -1.271 -27.524 1.00 0.00 O ATOM 45 CB SER A 4 22.851 -3.867 -29.727 1.00 0.00 C ATOM 46 OG SER A 4 21.924 -4.282 -30.727 1.00 0.00 O ATOM 0 H SER A 4 24.411 -1.376 -28.494 1.00 0.00 H new ATOM 0 HA SER A 4 22.617 -1.922 -30.573 1.00 0.00 H new ATOM 0 HB2 SER A 4 23.838 -4.267 -29.959 1.00 0.00 H new ATOM 0 HB3 SER A 4 22.556 -4.284 -28.764 1.00 0.00 H new ATOM 0 HG SER A 4 21.902 -5.261 -30.767 1.00 0.00 H new ATOM 52 N SER A 5 20.711 -2.066 -28.726 1.00 0.00 N ATOM 53 CA SER A 5 19.709 -1.642 -27.762 1.00 0.00 C ATOM 54 C SER A 5 18.342 -2.213 -28.143 1.00 0.00 C ATOM 55 O SER A 5 18.194 -2.826 -29.198 1.00 0.00 O ATOM 56 CB SER A 5 19.642 -0.116 -27.674 1.00 0.00 C ATOM 57 OG SER A 5 19.749 0.348 -26.330 1.00 0.00 O ATOM 0 H SER A 5 20.337 -2.538 -29.549 1.00 0.00 H new ATOM 0 HA SER A 5 19.994 -2.023 -26.781 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.444 0.317 -28.272 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.702 0.231 -28.103 1.00 0.00 H new ATOM 0 HG SER A 5 19.704 1.327 -26.317 1.00 0.00 H new ATOM 63 N LYS A 6 17.378 -1.989 -27.262 1.00 0.00 N ATOM 64 CA LYS A 6 16.026 -2.475 -27.492 1.00 0.00 C ATOM 65 C LYS A 6 15.094 -1.895 -26.427 1.00 0.00 C ATOM 66 O LYS A 6 15.523 -1.114 -25.580 1.00 0.00 O ATOM 67 CB LYS A 6 16.011 -4.002 -27.560 1.00 0.00 C ATOM 68 CG LYS A 6 16.408 -4.615 -26.215 1.00 0.00 C ATOM 69 CD LYS A 6 16.723 -6.104 -26.363 1.00 0.00 C ATOM 70 CE LYS A 6 16.394 -6.865 -25.076 1.00 0.00 C ATOM 71 NZ LYS A 6 17.556 -7.672 -24.640 1.00 0.00 N ATOM 0 H LYS A 6 17.505 -1.478 -26.388 1.00 0.00 H new ATOM 0 HA LYS A 6 15.656 -2.134 -28.459 1.00 0.00 H new ATOM 0 HB2 LYS A 6 15.016 -4.347 -27.842 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.698 -4.342 -28.335 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.278 -4.093 -25.816 1.00 0.00 H new ATOM 0 HG3 LYS A 6 15.599 -4.480 -25.497 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.150 -6.520 -27.192 1.00 0.00 H new ATOM 0 HD3 LYS A 6 17.777 -6.234 -26.607 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.117 -6.161 -24.291 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.534 -7.514 -25.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.316 -8.182 -23.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.802 -8.356 -25.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 18.367 -7.046 -24.464 1.00 0.00 H new ATOM 85 N ALA A 7 13.835 -2.302 -26.505 1.00 0.00 N ATOM 86 CA ALA A 7 12.838 -1.833 -25.559 1.00 0.00 C ATOM 87 C ALA A 7 12.806 -2.772 -24.351 1.00 0.00 C ATOM 88 O ALA A 7 13.227 -3.924 -24.446 1.00 0.00 O ATOM 89 CB ALA A 7 11.479 -1.734 -26.256 1.00 0.00 C ATOM 0 H ALA A 7 13.483 -2.951 -27.209 1.00 0.00 H new ATOM 0 HA ALA A 7 13.092 -0.837 -25.196 1.00 0.00 H new ATOM 0 HB1 ALA A 7 10.731 -1.382 -25.546 1.00 0.00 H new ATOM 0 HB2 ALA A 7 11.547 -1.034 -27.088 1.00 0.00 H new ATOM 0 HB3 ALA A 7 11.190 -2.716 -26.631 1.00 0.00 H new ATOM 95 N VAL A 8 12.300 -2.245 -23.246 1.00 0.00 N ATOM 96 CA VAL A 8 12.207 -3.023 -22.021 1.00 0.00 C ATOM 97 C VAL A 8 11.802 -4.458 -22.363 1.00 0.00 C ATOM 98 O VAL A 8 12.579 -5.391 -22.162 1.00 0.00 O ATOM 99 CB VAL A 8 11.245 -2.346 -21.043 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.208 -1.505 -21.789 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.568 -3.377 -20.139 1.00 0.00 C ATOM 0 H VAL A 8 11.950 -1.290 -23.173 1.00 0.00 H new ATOM 0 HA VAL A 8 13.175 -3.069 -21.523 1.00 0.00 H new ATOM 0 HB VAL A 8 11.826 -1.676 -20.410 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.536 -1.035 -21.071 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.714 -0.735 -22.371 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.633 -2.146 -22.458 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.889 -2.870 -19.453 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.006 -4.083 -20.750 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.326 -3.914 -19.568 1.00 0.00 H new ATOM 111 N LYS A 9 10.586 -4.590 -22.872 1.00 0.00 N ATOM 112 CA LYS A 9 10.068 -5.896 -23.243 1.00 0.00 C ATOM 113 C LYS A 9 9.660 -6.655 -21.979 1.00 0.00 C ATOM 114 O LYS A 9 8.515 -7.088 -21.853 1.00 0.00 O ATOM 115 CB LYS A 9 11.078 -6.646 -24.111 1.00 0.00 C ATOM 116 CG LYS A 9 10.553 -6.821 -25.538 1.00 0.00 C ATOM 117 CD LYS A 9 10.775 -8.252 -26.032 1.00 0.00 C ATOM 118 CE LYS A 9 11.489 -8.259 -27.386 1.00 0.00 C ATOM 119 NZ LYS A 9 12.912 -8.630 -27.219 1.00 0.00 N ATOM 0 H LYS A 9 9.944 -3.814 -23.036 1.00 0.00 H new ATOM 0 HA LYS A 9 9.173 -5.791 -23.856 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.021 -6.100 -24.131 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.284 -7.623 -23.673 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.490 -6.582 -25.570 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.057 -6.120 -26.203 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.366 -8.805 -25.302 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.816 -8.763 -26.119 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.000 -8.964 -28.058 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.415 -7.274 -27.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.514 -7.818 -27.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.086 -8.902 -26.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.138 -9.430 -27.844 1.00 0.00 H new ATOM 133 N TYR A 10 10.618 -6.795 -21.075 1.00 0.00 N ATOM 134 CA TYR A 10 10.372 -7.495 -19.826 1.00 0.00 C ATOM 135 C TYR A 10 10.973 -6.733 -18.644 1.00 0.00 C ATOM 136 O TYR A 10 12.192 -6.601 -18.538 1.00 0.00 O ATOM 137 CB TYR A 10 11.076 -8.847 -19.954 1.00 0.00 C ATOM 138 CG TYR A 10 11.870 -9.015 -21.252 1.00 0.00 C ATOM 139 CD1 TYR A 10 13.047 -8.318 -21.436 1.00 0.00 C ATOM 140 CD2 TYR A 10 11.408 -9.863 -22.239 1.00 0.00 C ATOM 141 CE1 TYR A 10 13.792 -8.476 -22.658 1.00 0.00 C ATOM 142 CE2 TYR A 10 12.155 -10.020 -23.460 1.00 0.00 C ATOM 143 CZ TYR A 10 13.311 -9.319 -23.610 1.00 0.00 C ATOM 144 OH TYR A 10 14.016 -9.469 -24.763 1.00 0.00 O ATOM 0 H TYR A 10 11.566 -6.435 -21.183 1.00 0.00 H new ATOM 0 HA TYR A 10 9.301 -7.596 -19.647 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.751 -8.975 -19.108 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.331 -9.640 -19.890 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.409 -7.655 -20.664 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.487 -10.408 -22.095 1.00 0.00 H new ATOM 0 HE1 TYR A 10 14.714 -7.936 -22.815 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.805 -10.680 -24.240 1.00 0.00 H new ATOM 0 HH TYR A 10 13.874 -10.371 -25.118 1.00 0.00 H new ATOM 154 N TYR A 11 10.089 -6.249 -17.782 1.00 0.00 N ATOM 155 CA TYR A 11 10.516 -5.504 -16.611 1.00 0.00 C ATOM 156 C TYR A 11 9.948 -6.121 -15.331 1.00 0.00 C ATOM 157 O TYR A 11 9.076 -6.985 -15.388 1.00 0.00 O ATOM 158 CB TYR A 11 9.947 -4.093 -16.778 1.00 0.00 C ATOM 159 CG TYR A 11 11.008 -3.020 -17.032 1.00 0.00 C ATOM 160 CD1 TYR A 11 12.161 -3.339 -17.720 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.813 -1.734 -16.573 1.00 0.00 C ATOM 162 CE1 TYR A 11 13.159 -2.329 -17.960 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.811 -0.724 -16.812 1.00 0.00 C ATOM 164 CZ TYR A 11 12.935 -1.072 -17.494 1.00 0.00 C ATOM 165 OH TYR A 11 13.879 -0.118 -17.718 1.00 0.00 O ATOM 0 H TYR A 11 9.079 -6.359 -17.872 1.00 0.00 H new ATOM 0 HA TYR A 11 11.603 -5.510 -16.528 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.240 -4.093 -17.607 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.386 -3.830 -15.881 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.315 -4.346 -18.078 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.911 -1.484 -16.034 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.065 -2.565 -18.498 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.670 0.287 -16.458 1.00 0.00 H new ATOM 0 HH TYR A 11 13.584 0.732 -17.330 1.00 0.00 H new ATOM 175 N THR A 12 10.468 -5.652 -14.206 1.00 0.00 N ATOM 176 CA THR A 12 10.023 -6.146 -12.914 1.00 0.00 C ATOM 177 C THR A 12 9.158 -5.099 -12.210 1.00 0.00 C ATOM 178 O THR A 12 9.345 -3.898 -12.409 1.00 0.00 O ATOM 179 CB THR A 12 11.261 -6.550 -12.111 1.00 0.00 C ATOM 180 OG1 THR A 12 11.910 -5.312 -11.826 1.00 0.00 O ATOM 181 CG2 THR A 12 12.281 -7.319 -12.954 1.00 0.00 C ATOM 0 H THR A 12 11.193 -4.936 -14.163 1.00 0.00 H new ATOM 0 HA THR A 12 9.387 -7.025 -13.025 1.00 0.00 H new ATOM 0 HB THR A 12 10.958 -7.161 -11.261 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.723 -5.481 -11.306 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.140 -7.582 -12.336 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.821 -8.228 -13.341 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.610 -6.696 -13.786 1.00 0.00 H new ATOM 189 N LEU A 13 8.230 -5.589 -11.401 1.00 0.00 N ATOM 190 CA LEU A 13 7.335 -4.711 -10.667 1.00 0.00 C ATOM 191 C LEU A 13 8.138 -3.548 -10.080 1.00 0.00 C ATOM 192 O LEU A 13 7.663 -2.415 -10.050 1.00 0.00 O ATOM 193 CB LEU A 13 6.545 -5.502 -9.624 1.00 0.00 C ATOM 194 CG LEU A 13 5.154 -5.974 -10.052 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.381 -6.549 -8.863 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.384 -4.851 -10.748 1.00 0.00 C ATOM 0 H LEU A 13 8.079 -6.584 -11.238 1.00 0.00 H new ATOM 0 HA LEU A 13 6.590 -4.279 -11.336 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.131 -6.375 -9.339 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.439 -4.884 -8.732 1.00 0.00 H new ATOM 0 HG LEU A 13 5.274 -6.779 -10.778 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.396 -6.877 -9.194 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.927 -7.398 -8.450 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.269 -5.782 -8.096 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.399 -5.213 -11.042 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.272 -4.009 -10.065 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.931 -4.529 -11.634 1.00 0.00 H new ATOM 208 N GLU A 14 9.341 -3.871 -9.629 1.00 0.00 N ATOM 209 CA GLU A 14 10.214 -2.866 -9.045 1.00 0.00 C ATOM 210 C GLU A 14 10.613 -1.831 -10.097 1.00 0.00 C ATOM 211 O GLU A 14 10.507 -0.629 -9.861 1.00 0.00 O ATOM 212 CB GLU A 14 11.451 -3.514 -8.417 1.00 0.00 C ATOM 213 CG GLU A 14 11.516 -3.231 -6.915 1.00 0.00 C ATOM 214 CD GLU A 14 10.793 -4.319 -6.120 1.00 0.00 C ATOM 215 OE1 GLU A 14 11.262 -5.476 -6.186 1.00 0.00 O ATOM 216 OE2 GLU A 14 9.789 -3.971 -5.462 1.00 0.00 O ATOM 0 H GLU A 14 9.732 -4.813 -9.656 1.00 0.00 H new ATOM 0 HA GLU A 14 9.668 -2.356 -8.252 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.428 -4.590 -8.587 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.350 -3.134 -8.901 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.557 -3.174 -6.597 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.065 -2.261 -6.704 1.00 0.00 H new ATOM 223 N GLU A 15 11.063 -2.336 -11.237 1.00 0.00 N ATOM 224 CA GLU A 15 11.478 -1.470 -12.328 1.00 0.00 C ATOM 225 C GLU A 15 10.360 -0.486 -12.677 1.00 0.00 C ATOM 226 O GLU A 15 10.626 0.671 -13.002 1.00 0.00 O ATOM 227 CB GLU A 15 11.890 -2.288 -13.552 1.00 0.00 C ATOM 228 CG GLU A 15 13.096 -3.174 -13.238 1.00 0.00 C ATOM 229 CD GLU A 15 14.376 -2.594 -13.843 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.681 -1.426 -13.514 1.00 0.00 O ATOM 231 OE2 GLU A 15 15.021 -3.330 -14.621 1.00 0.00 O ATOM 0 H GLU A 15 11.149 -3.334 -11.429 1.00 0.00 H new ATOM 0 HA GLU A 15 12.349 -0.901 -12.003 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.054 -2.907 -13.878 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.131 -1.618 -14.377 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.211 -3.269 -12.158 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.927 -4.177 -13.630 1.00 0.00 H new ATOM 238 N ILE A 16 9.134 -0.979 -12.598 1.00 0.00 N ATOM 239 CA ILE A 16 7.975 -0.157 -12.904 1.00 0.00 C ATOM 240 C ILE A 16 7.712 0.800 -11.737 1.00 0.00 C ATOM 241 O ILE A 16 7.335 1.951 -11.947 1.00 0.00 O ATOM 242 CB ILE A 16 6.774 -1.035 -13.260 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.184 -2.167 -14.202 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.633 -0.194 -13.836 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.636 -3.512 -13.716 1.00 0.00 C ATOM 0 H ILE A 16 8.917 -1.938 -12.326 1.00 0.00 H new ATOM 0 HA ILE A 16 8.165 0.456 -13.785 1.00 0.00 H new ATOM 0 HB ILE A 16 6.404 -1.496 -12.345 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.814 -1.961 -15.206 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.271 -2.215 -14.267 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.791 -0.842 -14.081 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.319 0.546 -13.100 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.975 0.314 -14.738 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.942 -4.300 -14.404 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.027 -3.726 -12.722 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.548 -3.468 -13.676 1.00 0.00 H new ATOM 257 N GLN A 17 7.924 0.286 -10.534 1.00 0.00 N ATOM 258 CA GLN A 17 7.715 1.080 -9.335 1.00 0.00 C ATOM 259 C GLN A 17 8.653 2.288 -9.329 1.00 0.00 C ATOM 260 O GLN A 17 8.301 3.347 -8.811 1.00 0.00 O ATOM 261 CB GLN A 17 7.905 0.231 -8.076 1.00 0.00 C ATOM 262 CG GLN A 17 6.929 0.654 -6.977 1.00 0.00 C ATOM 263 CD GLN A 17 7.666 1.325 -5.817 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.825 1.059 -5.548 1.00 0.00 O ATOM 265 NE2 GLN A 17 6.930 2.208 -5.146 1.00 0.00 N ATOM 0 H GLN A 17 8.238 -0.669 -10.364 1.00 0.00 H new ATOM 0 HA GLN A 17 6.687 1.443 -9.337 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.754 -0.821 -8.316 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.929 0.332 -7.716 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.189 1.341 -7.388 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.387 -0.218 -6.612 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.965 2.384 -5.424 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.331 2.709 -4.353 1.00 0.00 H new ATOM 274 N LYS A 18 9.826 2.089 -9.909 1.00 0.00 N ATOM 275 CA LYS A 18 10.817 3.149 -9.976 1.00 0.00 C ATOM 276 C LYS A 18 10.343 4.224 -10.957 1.00 0.00 C ATOM 277 O LYS A 18 10.664 5.400 -10.799 1.00 0.00 O ATOM 278 CB LYS A 18 12.196 2.575 -10.314 1.00 0.00 C ATOM 279 CG LYS A 18 12.593 1.482 -9.319 1.00 0.00 C ATOM 280 CD LYS A 18 13.276 2.082 -8.089 1.00 0.00 C ATOM 281 CE LYS A 18 14.573 2.797 -8.477 1.00 0.00 C ATOM 282 NZ LYS A 18 15.733 2.162 -7.813 1.00 0.00 N ATOM 0 H LYS A 18 10.113 1.209 -10.337 1.00 0.00 H new ATOM 0 HA LYS A 18 10.926 3.629 -9.003 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.186 2.166 -11.324 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.939 3.372 -10.300 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.707 0.925 -9.012 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.264 0.772 -9.802 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.601 2.785 -7.600 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.493 1.294 -7.368 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.703 2.765 -9.559 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.515 3.848 -8.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.605 2.659 -8.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.614 2.215 -6.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.797 1.166 -8.104 1.00 0.00 H new ATOM 296 N HIS A 19 9.586 3.780 -11.950 1.00 0.00 N ATOM 297 CA HIS A 19 9.062 4.689 -12.956 1.00 0.00 C ATOM 298 C HIS A 19 7.656 5.142 -12.557 1.00 0.00 C ATOM 299 O HIS A 19 6.669 4.505 -12.921 1.00 0.00 O ATOM 300 CB HIS A 19 9.108 4.049 -14.344 1.00 0.00 C ATOM 301 CG HIS A 19 10.461 4.119 -15.009 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.628 4.485 -16.334 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.710 3.868 -14.519 1.00 0.00 C ATOM 304 CE1 HIS A 19 11.922 4.451 -16.618 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.590 4.070 -15.493 1.00 0.00 N ATOM 0 H HIS A 19 9.323 2.803 -12.079 1.00 0.00 H new ATOM 0 HA HIS A 19 9.690 5.578 -13.010 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.809 3.004 -14.261 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.375 4.540 -14.984 1.00 0.00 H new ATOM 0 HD1 HIS A 19 9.882 4.738 -16.982 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.943 3.558 -13.511 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.369 4.684 -17.573 1.00 0.00 H new ATOM 314 N ASN A 20 7.611 6.239 -11.816 1.00 0.00 N ATOM 315 CA ASN A 20 6.342 6.785 -11.365 1.00 0.00 C ATOM 316 C ASN A 20 6.388 8.311 -11.450 1.00 0.00 C ATOM 317 O ASN A 20 5.623 8.999 -10.775 1.00 0.00 O ATOM 318 CB ASN A 20 6.063 6.400 -9.910 1.00 0.00 C ATOM 319 CG ASN A 20 4.852 7.159 -9.365 1.00 0.00 C ATOM 320 OD1 ASN A 20 3.882 7.343 -10.256 1.00 0.00 O flip ATOM 321 ND2 ASN A 20 4.801 7.552 -8.211 1.00 0.00 N flip ATOM 0 H ASN A 20 8.432 6.765 -11.517 1.00 0.00 H new ATOM 0 HA ASN A 20 5.556 6.381 -12.002 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.885 5.327 -9.842 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.939 6.617 -9.298 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.581 7.377 -7.578 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.978 8.055 -7.880 1.00 0.00 H new ATOM 328 N ASN A 21 7.295 8.799 -12.285 1.00 0.00 N ATOM 329 CA ASN A 21 7.451 10.231 -12.466 1.00 0.00 C ATOM 330 C ASN A 21 6.899 10.631 -13.835 1.00 0.00 C ATOM 331 O ASN A 21 6.710 9.781 -14.705 1.00 0.00 O ATOM 332 CB ASN A 21 8.926 10.635 -12.416 1.00 0.00 C ATOM 333 CG ASN A 21 9.537 10.313 -11.050 1.00 0.00 C ATOM 334 OD1 ASN A 21 9.374 11.038 -10.082 1.00 0.00 O ATOM 335 ND2 ASN A 21 10.246 9.189 -11.025 1.00 0.00 N ATOM 0 H ASN A 21 7.929 8.227 -12.843 1.00 0.00 H new ATOM 0 HA ASN A 21 6.911 10.733 -11.663 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.477 10.111 -13.197 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.022 11.702 -12.619 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.693 8.887 -10.159 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.343 8.628 -11.871 1.00 0.00 H new ATOM 342 N SER A 22 6.655 11.924 -13.985 1.00 0.00 N ATOM 343 CA SER A 22 6.128 12.448 -15.234 1.00 0.00 C ATOM 344 C SER A 22 7.146 12.245 -16.358 1.00 0.00 C ATOM 345 O SER A 22 6.827 12.433 -17.531 1.00 0.00 O ATOM 346 CB SER A 22 5.769 13.929 -15.104 1.00 0.00 C ATOM 347 OG SER A 22 4.670 14.135 -14.219 1.00 0.00 O ATOM 0 H SER A 22 6.813 12.626 -13.262 1.00 0.00 H new ATOM 0 HA SER A 22 5.216 11.902 -15.475 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.636 14.482 -14.741 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.523 14.330 -16.087 1.00 0.00 H new ATOM 0 HG SER A 22 4.472 15.093 -14.161 1.00 0.00 H new ATOM 353 N LYS A 23 8.351 11.864 -15.959 1.00 0.00 N ATOM 354 CA LYS A 23 9.419 11.635 -16.918 1.00 0.00 C ATOM 355 C LYS A 23 9.561 10.131 -17.166 1.00 0.00 C ATOM 356 O LYS A 23 10.098 9.717 -18.191 1.00 0.00 O ATOM 357 CB LYS A 23 10.711 12.307 -16.452 1.00 0.00 C ATOM 358 CG LYS A 23 10.765 13.766 -16.910 1.00 0.00 C ATOM 359 CD LYS A 23 12.064 14.435 -16.455 1.00 0.00 C ATOM 360 CE LYS A 23 12.205 15.831 -17.065 1.00 0.00 C ATOM 361 NZ LYS A 23 13.021 16.700 -16.187 1.00 0.00 N ATOM 0 H LYS A 23 8.611 11.708 -14.985 1.00 0.00 H new ATOM 0 HA LYS A 23 9.177 12.095 -17.876 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.778 12.260 -15.365 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.570 11.766 -16.848 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.688 13.813 -17.996 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.911 14.310 -16.506 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.079 14.506 -15.367 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.915 13.820 -16.746 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.669 15.759 -18.049 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.219 16.273 -17.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.107 17.644 -16.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.563 16.782 -15.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.968 16.285 -16.071 1.00 0.00 H new ATOM 375 N SER A 24 9.072 9.357 -16.207 1.00 0.00 N ATOM 376 CA SER A 24 9.138 7.909 -16.308 1.00 0.00 C ATOM 377 C SER A 24 7.901 7.282 -15.662 1.00 0.00 C ATOM 378 O SER A 24 7.998 6.649 -14.614 1.00 0.00 O ATOM 379 CB SER A 24 10.412 7.370 -15.652 1.00 0.00 C ATOM 380 OG SER A 24 11.369 6.942 -16.615 1.00 0.00 O ATOM 0 H SER A 24 8.629 9.706 -15.357 1.00 0.00 H new ATOM 0 HA SER A 24 9.163 7.640 -17.364 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.852 8.145 -15.024 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.158 6.536 -14.998 1.00 0.00 H new ATOM 0 HG SER A 24 12.272 7.062 -16.254 1.00 0.00 H new ATOM 386 N THR A 25 6.768 7.481 -16.319 1.00 0.00 N ATOM 387 CA THR A 25 5.512 6.943 -15.821 1.00 0.00 C ATOM 388 C THR A 25 5.237 5.573 -16.442 1.00 0.00 C ATOM 389 O THR A 25 4.711 5.482 -17.550 1.00 0.00 O ATOM 390 CB THR A 25 4.412 7.969 -16.103 1.00 0.00 C ATOM 391 OG1 THR A 25 5.124 9.172 -16.388 1.00 0.00 O ATOM 392 CG2 THR A 25 3.593 8.308 -14.857 1.00 0.00 C ATOM 0 H THR A 25 6.693 8.006 -17.190 1.00 0.00 H new ATOM 0 HA THR A 25 5.552 6.776 -14.745 1.00 0.00 H new ATOM 0 HB THR A 25 3.750 7.586 -16.879 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.420 9.584 -15.549 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.827 9.040 -15.113 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.118 7.404 -14.477 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.249 8.722 -14.092 1.00 0.00 H new ATOM 400 N TRP A 26 5.605 4.538 -15.700 1.00 0.00 N ATOM 401 CA TRP A 26 5.403 3.176 -16.163 1.00 0.00 C ATOM 402 C TRP A 26 4.364 2.515 -15.254 1.00 0.00 C ATOM 403 O TRP A 26 4.287 2.826 -14.067 1.00 0.00 O ATOM 404 CB TRP A 26 6.729 2.412 -16.209 1.00 0.00 C ATOM 405 CG TRP A 26 7.697 2.912 -17.281 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.806 4.150 -17.783 1.00 0.00 C ATOM 407 CD2 TRP A 26 8.698 2.131 -17.969 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.799 4.223 -18.739 1.00 0.00 N ATOM 409 CE2 TRP A 26 9.358 2.956 -18.856 1.00 0.00 C ATOM 410 CE3 TRP A 26 9.033 0.771 -17.845 1.00 0.00 C ATOM 411 CZ2 TRP A 26 10.394 2.515 -19.688 1.00 0.00 C ATOM 412 CZ3 TRP A 26 10.071 0.346 -18.685 1.00 0.00 C ATOM 413 CH2 TRP A 26 10.745 1.164 -19.582 1.00 0.00 C ATOM 0 H TRP A 26 6.042 4.616 -14.782 1.00 0.00 H new ATOM 0 HA TRP A 26 5.025 3.168 -17.185 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.213 2.485 -15.235 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.522 1.356 -16.384 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.194 4.986 -17.478 1.00 0.00 H new ATOM 0 HE1 TRP A 26 9.072 5.054 -19.263 1.00 0.00 H new ATOM 0 HE3 TRP A 26 8.530 0.107 -17.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.895 3.181 -20.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 10.368 -0.691 -18.631 1.00 0.00 H new ATOM 0 HH2 TRP A 26 11.537 0.760 -20.195 1.00 0.00 H new ATOM 424 N LEU A 27 3.592 1.617 -15.847 1.00 0.00 N ATOM 425 CA LEU A 27 2.562 0.910 -15.107 1.00 0.00 C ATOM 426 C LEU A 27 2.288 -0.437 -15.780 1.00 0.00 C ATOM 427 O LEU A 27 2.814 -0.714 -16.855 1.00 0.00 O ATOM 428 CB LEU A 27 1.316 1.786 -14.954 1.00 0.00 C ATOM 429 CG LEU A 27 0.334 1.764 -16.128 1.00 0.00 C ATOM 430 CD1 LEU A 27 1.078 1.746 -17.465 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.646 0.598 -16.002 1.00 0.00 C ATOM 0 H LEU A 27 3.659 1.363 -16.833 1.00 0.00 H new ATOM 0 HA LEU A 27 2.901 0.696 -14.093 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.784 1.474 -14.055 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.637 2.815 -14.793 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.253 2.682 -16.099 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.357 1.731 -18.282 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.700 2.637 -17.547 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.707 0.858 -17.519 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.332 0.606 -16.849 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.094 -0.342 -15.991 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.212 0.697 -15.076 1.00 0.00 H new ATOM 443 N ILE A 28 1.468 -1.237 -15.115 1.00 0.00 N ATOM 444 CA ILE A 28 1.119 -2.548 -15.635 1.00 0.00 C ATOM 445 C ILE A 28 -0.369 -2.571 -15.993 1.00 0.00 C ATOM 446 O ILE A 28 -1.201 -2.079 -15.233 1.00 0.00 O ATOM 447 CB ILE A 28 1.530 -3.643 -14.649 1.00 0.00 C ATOM 448 CG1 ILE A 28 2.552 -3.115 -13.639 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.041 -4.882 -15.387 1.00 0.00 C ATOM 450 CD1 ILE A 28 3.962 -3.120 -14.233 1.00 0.00 C ATOM 0 H ILE A 28 1.035 -1.003 -14.221 1.00 0.00 H new ATOM 0 HA ILE A 28 1.672 -2.753 -16.552 1.00 0.00 H new ATOM 0 HB ILE A 28 0.647 -3.945 -14.086 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.283 -2.102 -13.340 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.530 -3.730 -12.739 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.326 -5.645 -14.663 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.254 -5.271 -16.033 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.907 -4.614 -15.992 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.669 -2.740 -13.495 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.237 -4.138 -14.509 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.986 -2.485 -15.119 1.00 0.00 H new ATOM 462 N LEU A 29 -0.658 -3.147 -17.150 1.00 0.00 N ATOM 463 CA LEU A 29 -2.029 -3.241 -17.619 1.00 0.00 C ATOM 464 C LEU A 29 -2.277 -4.639 -18.188 1.00 0.00 C ATOM 465 O LEU A 29 -1.667 -5.024 -19.185 1.00 0.00 O ATOM 466 CB LEU A 29 -2.337 -2.113 -18.606 1.00 0.00 C ATOM 467 CG LEU A 29 -3.675 -1.397 -18.410 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.144 -0.745 -19.713 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.725 -2.347 -17.833 1.00 0.00 C ATOM 0 H LEU A 29 0.036 -3.554 -17.777 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.723 -3.107 -16.789 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.539 -1.373 -18.542 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.312 -2.523 -19.616 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.532 -0.597 -17.684 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.097 -0.243 -19.546 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.403 -0.017 -20.043 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.266 -1.510 -20.479 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.667 -1.813 -17.703 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.873 -3.184 -18.516 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.385 -2.722 -16.868 1.00 0.00 H new ATOM 481 N HIS A 30 -3.171 -5.362 -17.529 1.00 0.00 N ATOM 482 CA HIS A 30 -3.506 -6.709 -17.956 1.00 0.00 C ATOM 483 C HIS A 30 -2.379 -7.667 -17.562 1.00 0.00 C ATOM 484 O HIS A 30 -2.628 -8.705 -16.950 1.00 0.00 O ATOM 485 CB HIS A 30 -3.815 -6.743 -19.455 1.00 0.00 C ATOM 486 CG HIS A 30 -4.679 -7.907 -19.878 1.00 0.00 C ATOM 487 ND1 HIS A 30 -4.625 -9.143 -19.258 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.616 -8.011 -20.863 1.00 0.00 C ATOM 489 CE1 HIS A 30 -5.495 -9.947 -19.853 1.00 0.00 C ATOM 490 NE2 HIS A 30 -6.108 -9.243 -20.846 1.00 0.00 N ATOM 0 H HIS A 30 -3.674 -5.040 -16.702 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.412 -7.040 -17.449 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.313 -5.814 -19.734 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.877 -6.781 -20.008 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -4.019 -9.393 -18.476 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.908 -7.224 -21.542 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.685 -10.979 -19.596 1.00 0.00 H new ATOM 499 N TYR A 31 -1.165 -7.285 -17.930 1.00 0.00 N ATOM 500 CA TYR A 31 0.000 -8.097 -17.623 1.00 0.00 C ATOM 501 C TYR A 31 1.254 -7.531 -18.290 1.00 0.00 C ATOM 502 O TYR A 31 2.352 -8.052 -18.099 1.00 0.00 O ATOM 503 CB TYR A 31 -0.288 -9.484 -18.200 1.00 0.00 C ATOM 504 CG TYR A 31 -1.215 -9.471 -19.418 1.00 0.00 C ATOM 505 CD1 TYR A 31 -1.166 -8.422 -20.311 1.00 0.00 C ATOM 506 CD2 TYR A 31 -2.101 -10.509 -19.621 1.00 0.00 C ATOM 507 CE1 TYR A 31 -2.037 -8.409 -21.457 1.00 0.00 C ATOM 508 CE2 TYR A 31 -2.974 -10.498 -20.768 1.00 0.00 C ATOM 509 CZ TYR A 31 -2.899 -9.448 -21.628 1.00 0.00 C ATOM 510 OH TYR A 31 -3.722 -9.437 -22.711 1.00 0.00 O ATOM 0 H TYR A 31 -0.963 -6.424 -18.438 1.00 0.00 H new ATOM 0 HA TYR A 31 0.178 -8.120 -16.548 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.655 -9.953 -18.479 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.735 -10.104 -17.423 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.473 -7.609 -20.151 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.140 -11.330 -18.920 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.007 -7.594 -22.165 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.671 -11.305 -20.940 1.00 0.00 H new ATOM 0 HH TYR A 31 -4.609 -9.763 -22.451 1.00 0.00 H new ATOM 520 N LYS A 32 1.050 -6.472 -19.059 1.00 0.00 N ATOM 521 CA LYS A 32 2.151 -5.829 -19.756 1.00 0.00 C ATOM 522 C LYS A 32 2.438 -4.474 -19.107 1.00 0.00 C ATOM 523 O LYS A 32 1.620 -3.960 -18.345 1.00 0.00 O ATOM 524 CB LYS A 32 1.859 -5.743 -21.256 1.00 0.00 C ATOM 525 CG LYS A 32 1.869 -7.132 -21.896 1.00 0.00 C ATOM 526 CD LYS A 32 0.915 -7.191 -23.092 1.00 0.00 C ATOM 527 CE LYS A 32 1.308 -8.315 -24.052 1.00 0.00 C ATOM 528 NZ LYS A 32 0.258 -9.359 -24.088 1.00 0.00 N ATOM 0 H LYS A 32 0.138 -6.043 -19.215 1.00 0.00 H new ATOM 0 HA LYS A 32 3.059 -6.425 -19.665 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.889 -5.272 -21.415 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.603 -5.110 -21.740 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.880 -7.380 -22.220 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.579 -7.879 -21.157 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.105 -7.348 -22.741 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.927 -6.237 -23.619 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.460 -7.910 -25.052 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.255 -8.754 -23.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.542 -10.114 -24.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.132 -9.758 -23.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.638 -8.939 -24.409 1.00 0.00 H new ATOM 542 N VAL A 33 3.604 -3.933 -19.431 1.00 0.00 N ATOM 543 CA VAL A 33 4.009 -2.647 -18.889 1.00 0.00 C ATOM 544 C VAL A 33 3.903 -1.582 -19.981 1.00 0.00 C ATOM 545 O VAL A 33 4.476 -1.734 -21.059 1.00 0.00 O ATOM 546 CB VAL A 33 5.412 -2.751 -18.289 1.00 0.00 C ATOM 547 CG1 VAL A 33 6.419 -3.242 -19.332 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.853 -1.415 -17.688 1.00 0.00 C ATOM 0 H VAL A 33 4.281 -4.362 -20.062 1.00 0.00 H new ATOM 0 HA VAL A 33 3.345 -2.348 -18.078 1.00 0.00 H new ATOM 0 HB VAL A 33 5.378 -3.485 -17.484 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.409 -3.307 -18.880 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.119 -4.226 -19.692 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.447 -2.543 -20.168 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.854 -1.517 -17.268 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.862 -0.651 -18.466 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.158 -1.123 -16.901 1.00 0.00 H new ATOM 558 N TYR A 34 3.169 -0.526 -19.665 1.00 0.00 N ATOM 559 CA TYR A 34 2.981 0.565 -20.607 1.00 0.00 C ATOM 560 C TYR A 34 3.654 1.844 -20.105 1.00 0.00 C ATOM 561 O TYR A 34 3.774 2.055 -18.899 1.00 0.00 O ATOM 562 CB TYR A 34 1.470 0.796 -20.688 1.00 0.00 C ATOM 563 CG TYR A 34 0.663 -0.468 -20.992 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.624 -1.498 -20.076 1.00 0.00 C ATOM 565 CD2 TYR A 34 -0.026 -0.575 -22.183 1.00 0.00 C ATOM 566 CE1 TYR A 34 -0.136 -2.688 -20.363 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.786 -1.765 -22.470 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.803 -2.762 -21.546 1.00 0.00 C ATOM 569 OH TYR A 34 -1.521 -3.886 -21.816 1.00 0.00 O ATOM 0 H TYR A 34 2.697 -0.402 -18.769 1.00 0.00 H new ATOM 0 HA TYR A 34 3.419 0.317 -21.574 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.126 1.216 -19.743 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.267 1.539 -21.460 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.163 -1.413 -19.144 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.004 0.233 -22.899 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.175 -3.503 -19.655 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.330 -1.863 -23.398 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.655 -4.395 -20.989 1.00 0.00 H new ATOM 579 N ASP A 35 4.074 2.665 -21.056 1.00 0.00 N ATOM 580 CA ASP A 35 4.733 3.918 -20.727 1.00 0.00 C ATOM 581 C ASP A 35 3.685 5.028 -20.624 1.00 0.00 C ATOM 582 O ASP A 35 3.397 5.707 -21.609 1.00 0.00 O ATOM 583 CB ASP A 35 5.737 4.314 -21.809 1.00 0.00 C ATOM 584 CG ASP A 35 7.195 4.370 -21.350 1.00 0.00 C ATOM 585 OD1 ASP A 35 7.652 3.351 -20.788 1.00 0.00 O ATOM 586 OD2 ASP A 35 7.821 5.429 -21.571 1.00 0.00 O ATOM 0 H ASP A 35 3.971 2.487 -22.055 1.00 0.00 H new ATOM 0 HA ASP A 35 5.258 3.784 -19.781 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.658 3.605 -22.633 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.458 5.292 -22.202 1.00 0.00 H new ATOM 591 N LEU A 36 3.142 5.179 -19.425 1.00 0.00 N ATOM 592 CA LEU A 36 2.131 6.194 -19.182 1.00 0.00 C ATOM 593 C LEU A 36 2.675 7.559 -19.609 1.00 0.00 C ATOM 594 O LEU A 36 1.917 8.424 -20.047 1.00 0.00 O ATOM 595 CB LEU A 36 1.664 6.147 -17.727 1.00 0.00 C ATOM 596 CG LEU A 36 0.728 4.992 -17.361 1.00 0.00 C ATOM 597 CD1 LEU A 36 0.035 5.251 -16.022 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.276 4.723 -18.483 1.00 0.00 C ATOM 0 H LEU A 36 3.383 4.615 -18.610 1.00 0.00 H new ATOM 0 HA LEU A 36 1.243 6.000 -19.784 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.543 6.093 -17.085 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.159 7.085 -17.498 1.00 0.00 H new ATOM 0 HG LEU A 36 1.329 4.090 -17.244 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.624 4.416 -15.786 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.785 5.354 -15.238 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.551 6.168 -16.087 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.929 3.898 -18.197 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.876 5.617 -18.657 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.260 4.462 -19.396 1.00 0.00 H new ATOM 610 N THR A 37 3.983 7.711 -19.466 1.00 0.00 N ATOM 611 CA THR A 37 4.637 8.957 -19.830 1.00 0.00 C ATOM 612 C THR A 37 4.279 9.344 -21.267 1.00 0.00 C ATOM 613 O THR A 37 4.355 10.517 -21.634 1.00 0.00 O ATOM 614 CB THR A 37 6.140 8.786 -19.603 1.00 0.00 C ATOM 615 OG1 THR A 37 6.403 9.555 -18.432 1.00 0.00 O ATOM 616 CG2 THR A 37 6.978 9.463 -20.689 1.00 0.00 C ATOM 0 H THR A 37 4.608 6.992 -19.103 1.00 0.00 H new ATOM 0 HA THR A 37 4.293 9.783 -19.207 1.00 0.00 H new ATOM 0 HB THR A 37 6.383 7.724 -19.567 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.622 9.527 -17.840 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.037 9.311 -20.479 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.734 9.030 -21.659 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.761 10.531 -20.703 1.00 0.00 H new ATOM 624 N LYS A 38 3.901 8.339 -22.041 1.00 0.00 N ATOM 625 CA LYS A 38 3.533 8.561 -23.429 1.00 0.00 C ATOM 626 C LYS A 38 2.030 8.832 -23.516 1.00 0.00 C ATOM 627 O LYS A 38 1.577 9.560 -24.397 1.00 0.00 O ATOM 628 CB LYS A 38 3.998 7.392 -24.300 1.00 0.00 C ATOM 629 CG LYS A 38 5.439 7.597 -24.768 1.00 0.00 C ATOM 630 CD LYS A 38 6.076 6.270 -25.184 1.00 0.00 C ATOM 631 CE LYS A 38 7.530 6.189 -24.717 1.00 0.00 C ATOM 632 NZ LYS A 38 8.024 4.795 -24.792 1.00 0.00 N ATOM 0 H LYS A 38 3.841 7.368 -21.734 1.00 0.00 H new ATOM 0 HA LYS A 38 4.040 9.443 -23.821 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.924 6.462 -23.737 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.341 7.294 -25.165 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.457 8.292 -25.608 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.024 8.050 -23.967 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.508 5.442 -24.761 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.032 6.166 -26.268 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.153 6.835 -25.336 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.610 6.554 -23.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.824 4.675 -24.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.260 4.141 -24.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.335 4.589 -25.763 1.00 0.00 H new ATOM 646 N PHE A 39 1.297 8.232 -22.590 1.00 0.00 N ATOM 647 CA PHE A 39 -0.146 8.399 -22.550 1.00 0.00 C ATOM 648 C PHE A 39 -0.552 9.400 -21.468 1.00 0.00 C ATOM 649 O PHE A 39 -1.720 9.470 -21.088 1.00 0.00 O ATOM 650 CB PHE A 39 -0.746 7.032 -22.216 1.00 0.00 C ATOM 651 CG PHE A 39 -2.273 6.986 -22.302 1.00 0.00 C ATOM 652 CD1 PHE A 39 -2.918 7.653 -23.295 1.00 0.00 C ATOM 653 CD2 PHE A 39 -2.983 6.276 -21.383 1.00 0.00 C ATOM 654 CE1 PHE A 39 -4.336 7.609 -23.375 1.00 0.00 C ATOM 655 CE2 PHE A 39 -4.401 6.233 -21.463 1.00 0.00 C ATOM 656 CZ PHE A 39 -5.047 6.900 -22.457 1.00 0.00 C ATOM 0 H PHE A 39 1.676 7.628 -21.860 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.503 8.776 -23.508 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.331 6.288 -22.896 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.440 6.748 -21.209 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.353 8.216 -24.023 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.469 5.746 -20.594 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.849 8.138 -24.164 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.966 5.671 -20.734 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.125 6.867 -22.518 1.00 0.00 H new ATOM 666 N LEU A 40 0.435 10.150 -20.999 1.00 0.00 N ATOM 667 CA LEU A 40 0.196 11.144 -19.968 1.00 0.00 C ATOM 668 C LEU A 40 -0.749 12.218 -20.510 1.00 0.00 C ATOM 669 O LEU A 40 -1.840 12.419 -19.976 1.00 0.00 O ATOM 670 CB LEU A 40 1.519 11.700 -19.440 1.00 0.00 C ATOM 671 CG LEU A 40 2.074 11.029 -18.183 1.00 0.00 C ATOM 672 CD1 LEU A 40 3.255 11.820 -17.615 1.00 0.00 C ATOM 673 CD2 LEU A 40 0.973 10.816 -17.143 1.00 0.00 C ATOM 0 H LEU A 40 1.403 10.088 -21.315 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.296 10.689 -19.109 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.265 11.620 -20.230 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.387 12.762 -19.233 1.00 0.00 H new ATOM 0 HG LEU A 40 2.450 10.044 -18.459 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.631 11.321 -16.722 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.048 11.875 -18.361 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.928 12.827 -17.358 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.395 10.337 -16.259 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.544 11.779 -16.864 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.194 10.180 -17.563 1.00 0.00 H new ATOM 685 N GLU A 41 -0.299 12.880 -21.566 1.00 0.00 N ATOM 686 CA GLU A 41 -1.090 13.928 -22.186 1.00 0.00 C ATOM 687 C GLU A 41 -2.543 13.475 -22.342 1.00 0.00 C ATOM 688 O GLU A 41 -3.445 14.047 -21.731 1.00 0.00 O ATOM 689 CB GLU A 41 -0.496 14.340 -23.535 1.00 0.00 C ATOM 690 CG GLU A 41 0.308 15.635 -23.408 1.00 0.00 C ATOM 691 CD GLU A 41 -0.021 16.597 -24.551 1.00 0.00 C ATOM 692 OE1 GLU A 41 -1.113 17.201 -24.488 1.00 0.00 O ATOM 693 OE2 GLU A 41 0.828 16.708 -25.462 1.00 0.00 O ATOM 0 H GLU A 41 0.604 12.710 -22.008 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.070 14.803 -21.536 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.147 13.544 -23.911 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.296 14.475 -24.263 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.089 16.111 -22.452 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.374 15.408 -23.414 1.00 0.00 H new ATOM 700 N GLU A 42 -2.725 12.451 -23.164 1.00 0.00 N ATOM 701 CA GLU A 42 -4.053 11.914 -23.408 1.00 0.00 C ATOM 702 C GLU A 42 -4.747 11.594 -22.084 1.00 0.00 C ATOM 703 O GLU A 42 -4.221 11.895 -21.013 1.00 0.00 O ATOM 704 CB GLU A 42 -3.987 10.678 -24.307 1.00 0.00 C ATOM 705 CG GLU A 42 -3.718 11.070 -25.760 1.00 0.00 C ATOM 706 CD GLU A 42 -2.420 10.437 -26.267 1.00 0.00 C ATOM 707 OE1 GLU A 42 -1.430 10.489 -25.508 1.00 0.00 O ATOM 708 OE2 GLU A 42 -2.448 9.918 -27.404 1.00 0.00 O ATOM 0 H GLU A 42 -1.975 11.979 -23.669 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.640 12.670 -23.929 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.201 10.010 -23.955 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.925 10.127 -24.243 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.551 10.752 -26.387 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.654 12.155 -25.842 1.00 0.00 H new ATOM 715 N HIS A 43 -5.919 10.986 -22.198 1.00 0.00 N ATOM 716 CA HIS A 43 -6.691 10.621 -21.023 1.00 0.00 C ATOM 717 C HIS A 43 -7.534 11.815 -20.571 1.00 0.00 C ATOM 718 O HIS A 43 -7.045 12.941 -20.522 1.00 0.00 O ATOM 719 CB HIS A 43 -5.778 10.089 -19.916 1.00 0.00 C ATOM 720 CG HIS A 43 -6.454 9.122 -18.974 1.00 0.00 C ATOM 721 ND1 HIS A 43 -7.316 9.531 -17.972 1.00 0.00 N ATOM 722 CD2 HIS A 43 -6.387 7.761 -18.893 1.00 0.00 C ATOM 723 CE1 HIS A 43 -7.742 8.457 -17.322 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.164 7.362 -17.894 1.00 0.00 N ATOM 0 H HIS A 43 -6.353 10.737 -23.087 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.375 9.810 -21.272 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.920 9.596 -20.373 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.393 10.931 -19.341 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.579 10.495 -17.768 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.801 7.118 -19.533 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.426 8.450 -16.487 1.00 0.00 H new ATOM 733 N PRO A 44 -8.821 11.519 -20.245 1.00 0.00 N ATOM 734 CA PRO A 44 -9.737 12.555 -19.799 1.00 0.00 C ATOM 735 C PRO A 44 -9.433 12.974 -18.361 1.00 0.00 C ATOM 736 O PRO A 44 -9.336 14.164 -18.063 1.00 0.00 O ATOM 737 CB PRO A 44 -11.124 11.951 -19.962 1.00 0.00 C ATOM 738 CG PRO A 44 -10.915 10.448 -20.049 1.00 0.00 C ATOM 739 CD PRO A 44 -9.436 10.195 -20.291 1.00 0.00 C ATOM 0 HA PRO A 44 -9.647 13.474 -20.378 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.764 12.208 -19.118 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.612 12.330 -20.860 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.239 9.964 -19.128 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.512 10.026 -20.858 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.017 9.537 -19.530 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.269 9.714 -21.255 1.00 0.00 H new ATOM 747 N GLY A 45 -9.289 11.973 -17.504 1.00 0.00 N ATOM 748 CA GLY A 45 -8.998 12.224 -16.102 1.00 0.00 C ATOM 749 C GLY A 45 -7.780 13.137 -15.951 1.00 0.00 C ATOM 750 O GLY A 45 -7.691 13.906 -14.995 1.00 0.00 O ATOM 0 H GLY A 45 -9.368 10.987 -17.753 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.863 12.683 -15.624 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.815 11.279 -15.590 1.00 0.00 H new ATOM 754 N GLY A 46 -6.871 13.024 -16.908 1.00 0.00 N ATOM 755 CA GLY A 46 -5.662 13.830 -16.893 1.00 0.00 C ATOM 756 C GLY A 46 -4.413 12.946 -16.931 1.00 0.00 C ATOM 757 O GLY A 46 -4.491 11.769 -17.282 1.00 0.00 O ATOM 0 H GLY A 46 -6.948 12.386 -17.700 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.660 14.505 -17.749 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.646 14.451 -15.997 1.00 0.00 H new ATOM 761 N GLU A 47 -3.292 13.546 -16.564 1.00 0.00 N ATOM 762 CA GLU A 47 -2.028 12.829 -16.551 1.00 0.00 C ATOM 763 C GLU A 47 -1.879 12.040 -15.250 1.00 0.00 C ATOM 764 O GLU A 47 -1.481 10.876 -15.268 1.00 0.00 O ATOM 765 CB GLU A 47 -0.851 13.788 -16.749 1.00 0.00 C ATOM 766 CG GLU A 47 -0.874 14.402 -18.149 1.00 0.00 C ATOM 767 CD GLU A 47 -0.642 15.914 -18.090 1.00 0.00 C ATOM 768 OE1 GLU A 47 -1.649 16.637 -17.930 1.00 0.00 O ATOM 769 OE2 GLU A 47 0.538 16.312 -18.202 1.00 0.00 O ATOM 0 H GLU A 47 -3.232 14.522 -16.273 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.024 12.125 -17.383 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.892 14.579 -16.000 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.087 13.254 -16.598 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.106 13.937 -18.766 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.833 14.196 -18.624 1.00 0.00 H new ATOM 776 N GLU A 48 -2.208 12.702 -14.151 1.00 0.00 N ATOM 777 CA GLU A 48 -2.116 12.077 -12.843 1.00 0.00 C ATOM 778 C GLU A 48 -2.819 10.717 -12.854 1.00 0.00 C ATOM 779 O GLU A 48 -2.244 9.714 -12.435 1.00 0.00 O ATOM 780 CB GLU A 48 -2.697 12.986 -11.758 1.00 0.00 C ATOM 781 CG GLU A 48 -1.653 13.296 -10.684 1.00 0.00 C ATOM 782 CD GLU A 48 -1.943 14.635 -10.006 1.00 0.00 C ATOM 783 OE1 GLU A 48 -2.932 14.680 -9.240 1.00 0.00 O ATOM 784 OE2 GLU A 48 -1.173 15.584 -10.268 1.00 0.00 O ATOM 0 H GLU A 48 -2.539 13.667 -14.140 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.063 11.918 -12.611 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.049 13.915 -12.207 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.562 12.505 -11.301 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.647 12.501 -9.938 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.660 13.320 -11.133 1.00 0.00 H new ATOM 791 N VAL A 49 -4.052 10.729 -13.340 1.00 0.00 N ATOM 792 CA VAL A 49 -4.839 9.509 -13.411 1.00 0.00 C ATOM 793 C VAL A 49 -3.927 8.342 -13.798 1.00 0.00 C ATOM 794 O VAL A 49 -4.168 7.203 -13.399 1.00 0.00 O ATOM 795 CB VAL A 49 -6.010 9.698 -14.376 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.513 9.902 -15.809 1.00 0.00 C ATOM 797 CG2 VAL A 49 -6.982 8.520 -14.296 1.00 0.00 C ATOM 0 H VAL A 49 -4.525 11.563 -13.688 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.272 9.275 -12.438 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.548 10.597 -14.077 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.366 10.034 -16.475 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.879 10.788 -15.852 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.939 9.030 -16.123 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.805 8.680 -14.992 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.460 7.599 -14.556 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.374 8.440 -13.282 1.00 0.00 H new ATOM 807 N LEU A 50 -2.900 8.665 -14.570 1.00 0.00 N ATOM 808 CA LEU A 50 -1.952 7.657 -15.014 1.00 0.00 C ATOM 809 C LEU A 50 -0.740 7.655 -14.080 1.00 0.00 C ATOM 810 O LEU A 50 -0.212 6.595 -13.746 1.00 0.00 O ATOM 811 CB LEU A 50 -1.594 7.871 -16.486 1.00 0.00 C ATOM 812 CG LEU A 50 -2.774 8.016 -17.450 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.943 9.469 -17.896 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.628 7.065 -18.640 1.00 0.00 C ATOM 0 H LEU A 50 -2.703 9.610 -14.899 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.398 6.664 -14.959 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.976 8.766 -16.563 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.982 7.032 -16.816 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.684 7.734 -16.921 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.788 9.544 -18.580 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.125 10.098 -17.025 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.037 9.802 -18.401 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.479 7.187 -19.310 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.707 7.293 -19.177 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.594 6.036 -18.282 1.00 0.00 H new ATOM 826 N ARG A 51 -0.336 8.854 -13.684 1.00 0.00 N ATOM 827 CA ARG A 51 0.803 9.002 -12.795 1.00 0.00 C ATOM 828 C ARG A 51 0.498 8.375 -11.433 1.00 0.00 C ATOM 829 O ARG A 51 1.346 7.696 -10.855 1.00 0.00 O ATOM 830 CB ARG A 51 1.161 10.477 -12.602 1.00 0.00 C ATOM 831 CG ARG A 51 2.642 10.642 -12.257 1.00 0.00 C ATOM 832 CD ARG A 51 2.836 10.851 -10.754 1.00 0.00 C ATOM 833 NE ARG A 51 3.169 12.266 -10.479 1.00 0.00 N ATOM 834 CZ ARG A 51 3.198 12.807 -9.253 1.00 0.00 C ATOM 835 NH1 ARG A 51 2.915 12.054 -8.182 1.00 0.00 N ATOM 836 NH2 ARG A 51 3.510 14.100 -9.099 1.00 0.00 N ATOM 0 H ARG A 51 -0.777 9.731 -13.963 1.00 0.00 H new ATOM 0 HA ARG A 51 1.650 8.491 -13.252 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.932 11.032 -13.512 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.549 10.902 -11.806 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.194 9.759 -12.579 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.053 11.492 -12.802 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.928 10.572 -10.219 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.633 10.204 -10.388 1.00 0.00 H new ATOM 0 HE ARG A 51 3.390 12.868 -11.272 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.677 11.069 -8.299 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.937 12.466 -7.249 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.726 14.673 -9.915 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.532 14.512 -8.166 1.00 0.00 H new ATOM 850 N GLU A 52 -0.713 8.625 -10.959 1.00 0.00 N ATOM 851 CA GLU A 52 -1.139 8.094 -9.676 1.00 0.00 C ATOM 852 C GLU A 52 -1.106 6.565 -9.697 1.00 0.00 C ATOM 853 O GLU A 52 -1.054 5.927 -8.646 1.00 0.00 O ATOM 854 CB GLU A 52 -2.532 8.607 -9.305 1.00 0.00 C ATOM 855 CG GLU A 52 -3.588 8.081 -10.281 1.00 0.00 C ATOM 856 CD GLU A 52 -4.895 7.760 -9.553 1.00 0.00 C ATOM 857 OE1 GLU A 52 -4.801 7.303 -8.392 1.00 0.00 O ATOM 858 OE2 GLU A 52 -5.958 7.977 -10.173 1.00 0.00 O ATOM 0 H GLU A 52 -1.413 9.189 -11.441 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.444 8.443 -8.912 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.781 8.294 -8.291 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.536 9.697 -9.312 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.773 8.823 -11.057 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.215 7.186 -10.778 1.00 0.00 H new ATOM 865 N GLN A 53 -1.136 6.021 -10.905 1.00 0.00 N ATOM 866 CA GLN A 53 -1.110 4.578 -11.076 1.00 0.00 C ATOM 867 C GLN A 53 0.290 4.118 -11.484 1.00 0.00 C ATOM 868 O GLN A 53 0.647 2.956 -11.290 1.00 0.00 O ATOM 869 CB GLN A 53 -2.156 4.129 -12.101 1.00 0.00 C ATOM 870 CG GLN A 53 -1.926 4.810 -13.451 1.00 0.00 C ATOM 871 CD GLN A 53 -2.996 4.393 -14.464 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.881 3.392 -15.152 1.00 0.00 O ATOM 873 NE2 GLN A 53 -4.041 5.214 -14.514 1.00 0.00 N ATOM 0 H GLN A 53 -1.178 6.553 -11.774 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.360 4.113 -10.122 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.110 3.047 -12.223 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.155 4.367 -11.735 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.942 5.892 -13.324 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.938 4.548 -13.831 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.074 6.035 -13.910 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.810 5.023 -15.157 1.00 0.00 H new ATOM 882 N ALA A 54 1.046 5.051 -12.042 1.00 0.00 N ATOM 883 CA ALA A 54 2.401 4.756 -12.479 1.00 0.00 C ATOM 884 C ALA A 54 3.236 4.319 -11.274 1.00 0.00 C ATOM 885 O ALA A 54 3.239 4.988 -10.241 1.00 0.00 O ATOM 886 CB ALA A 54 2.989 5.980 -13.184 1.00 0.00 C ATOM 0 H ALA A 54 0.747 6.013 -12.202 1.00 0.00 H new ATOM 0 HA ALA A 54 2.403 3.936 -13.197 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.005 5.758 -13.511 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.376 6.231 -14.049 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.006 6.824 -12.494 1.00 0.00 H new ATOM 892 N GLY A 55 3.925 3.201 -11.446 1.00 0.00 N ATOM 893 CA GLY A 55 4.763 2.666 -10.386 1.00 0.00 C ATOM 894 C GLY A 55 4.242 1.310 -9.906 1.00 0.00 C ATOM 895 O GLY A 55 4.657 0.817 -8.857 1.00 0.00 O ATOM 0 H GLY A 55 3.920 2.650 -12.304 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.786 2.560 -10.746 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.790 3.366 -9.551 1.00 0.00 H new ATOM 899 N GLY A 56 3.342 0.744 -10.697 1.00 0.00 N ATOM 900 CA GLY A 56 2.761 -0.546 -10.366 1.00 0.00 C ATOM 901 C GLY A 56 1.643 -0.910 -11.345 1.00 0.00 C ATOM 902 O GLY A 56 1.356 -0.156 -12.274 1.00 0.00 O ATOM 0 H GLY A 56 3.001 1.155 -11.566 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.534 -1.314 -10.389 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.366 -0.522 -9.350 1.00 0.00 H new ATOM 906 N ASP A 57 1.042 -2.066 -11.104 1.00 0.00 N ATOM 907 CA ASP A 57 -0.037 -2.541 -11.952 1.00 0.00 C ATOM 908 C ASP A 57 -1.263 -1.646 -11.758 1.00 0.00 C ATOM 909 O ASP A 57 -1.723 -1.453 -10.633 1.00 0.00 O ATOM 910 CB ASP A 57 -0.435 -3.972 -11.590 1.00 0.00 C ATOM 911 CG ASP A 57 -1.941 -4.214 -11.464 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.667 -3.748 -12.369 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.331 -4.857 -10.467 1.00 0.00 O ATOM 0 H ASP A 57 1.283 -2.688 -10.332 1.00 0.00 H new ATOM 0 HA ASP A 57 0.310 -2.515 -12.985 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.036 -4.646 -12.348 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.040 -4.237 -10.646 1.00 0.00 H new ATOM 918 N ALA A 58 -1.758 -1.124 -12.871 1.00 0.00 N ATOM 919 CA ALA A 58 -2.921 -0.254 -12.836 1.00 0.00 C ATOM 920 C ALA A 58 -4.165 -1.058 -13.222 1.00 0.00 C ATOM 921 O ALA A 58 -5.288 -0.630 -12.966 1.00 0.00 O ATOM 922 CB ALA A 58 -2.692 0.944 -13.761 1.00 0.00 C ATOM 0 H ALA A 58 -1.375 -1.287 -13.802 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.078 0.136 -11.830 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.565 1.596 -13.734 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.814 1.498 -13.428 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.533 0.592 -14.780 1.00 0.00 H new ATOM 928 N THR A 59 -3.921 -2.209 -13.831 1.00 0.00 N ATOM 929 CA THR A 59 -5.007 -3.076 -14.254 1.00 0.00 C ATOM 930 C THR A 59 -6.015 -3.262 -13.119 1.00 0.00 C ATOM 931 O THR A 59 -7.204 -2.992 -13.288 1.00 0.00 O ATOM 932 CB THR A 59 -4.397 -4.391 -14.745 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.192 -4.741 -15.876 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.619 -5.543 -13.763 1.00 0.00 C ATOM 0 H THR A 59 -2.987 -2.561 -14.042 1.00 0.00 H new ATOM 0 HA THR A 59 -5.569 -2.633 -15.076 1.00 0.00 H new ATOM 0 HB THR A 59 -3.328 -4.256 -14.910 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.082 -4.340 -15.787 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.167 -6.452 -14.160 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.160 -5.298 -12.805 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.688 -5.701 -13.623 1.00 0.00 H new ATOM 942 N GLU A 60 -5.505 -3.721 -11.986 1.00 0.00 N ATOM 943 CA GLU A 60 -6.347 -3.945 -10.822 1.00 0.00 C ATOM 944 C GLU A 60 -7.389 -2.833 -10.700 1.00 0.00 C ATOM 945 O GLU A 60 -8.478 -3.054 -10.172 1.00 0.00 O ATOM 946 CB GLU A 60 -5.505 -4.050 -9.548 1.00 0.00 C ATOM 947 CG GLU A 60 -4.493 -2.904 -9.465 1.00 0.00 C ATOM 948 CD GLU A 60 -4.797 -1.989 -8.279 1.00 0.00 C ATOM 949 OE1 GLU A 60 -5.988 -1.641 -8.121 1.00 0.00 O ATOM 950 OE2 GLU A 60 -3.834 -1.656 -7.555 1.00 0.00 O ATOM 0 H GLU A 60 -4.519 -3.944 -11.849 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.869 -4.893 -10.952 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.156 -4.029 -8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.980 -5.005 -9.532 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.486 -3.310 -9.367 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.515 -2.327 -10.389 1.00 0.00 H new ATOM 957 N ASN A 61 -7.022 -1.661 -11.197 1.00 0.00 N ATOM 958 CA ASN A 61 -7.912 -0.515 -11.150 1.00 0.00 C ATOM 959 C ASN A 61 -8.671 -0.410 -12.474 1.00 0.00 C ATOM 960 O ASN A 61 -9.901 -0.384 -12.488 1.00 0.00 O ATOM 961 CB ASN A 61 -7.129 0.784 -10.950 1.00 0.00 C ATOM 962 CG ASN A 61 -7.644 1.552 -9.732 1.00 0.00 C ATOM 963 OD1 ASN A 61 -7.006 1.622 -8.694 1.00 0.00 O ATOM 964 ND2 ASN A 61 -8.830 2.124 -9.913 1.00 0.00 N ATOM 0 H ASN A 61 -6.119 -1.481 -11.635 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.597 -0.655 -10.314 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -6.070 0.559 -10.821 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.216 1.406 -11.841 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -9.258 2.660 -9.158 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -9.312 2.027 -10.807 1.00 0.00 H new ATOM 971 N PHE A 62 -7.908 -0.351 -13.555 1.00 0.00 N ATOM 972 CA PHE A 62 -8.493 -0.250 -14.881 1.00 0.00 C ATOM 973 C PHE A 62 -9.663 -1.224 -15.040 1.00 0.00 C ATOM 974 O PHE A 62 -10.537 -1.017 -15.880 1.00 0.00 O ATOM 975 CB PHE A 62 -7.398 -0.620 -15.883 1.00 0.00 C ATOM 976 CG PHE A 62 -7.777 -1.762 -16.826 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.672 -3.053 -16.409 1.00 0.00 C ATOM 978 CD2 PHE A 62 -8.220 -1.489 -18.084 1.00 0.00 C ATOM 979 CE1 PHE A 62 -8.024 -4.113 -17.285 1.00 0.00 C ATOM 980 CE2 PHE A 62 -8.572 -2.549 -18.959 1.00 0.00 C ATOM 981 CZ PHE A 62 -8.467 -3.840 -18.541 1.00 0.00 C ATOM 0 H PHE A 62 -6.888 -0.371 -13.540 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.870 0.759 -15.045 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.150 0.260 -16.476 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.498 -0.899 -15.335 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.321 -3.271 -15.411 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.304 -0.465 -18.416 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.940 -5.137 -16.953 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.923 -2.331 -19.957 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.735 -4.647 -19.207 1.00 0.00 H new ATOM 991 N GLU A 63 -9.641 -2.264 -14.219 1.00 0.00 N ATOM 992 CA GLU A 63 -10.689 -3.270 -14.257 1.00 0.00 C ATOM 993 C GLU A 63 -11.950 -2.750 -13.564 1.00 0.00 C ATOM 994 O GLU A 63 -13.049 -2.859 -14.104 1.00 0.00 O ATOM 995 CB GLU A 63 -10.215 -4.580 -13.627 1.00 0.00 C ATOM 996 CG GLU A 63 -9.721 -5.556 -14.695 1.00 0.00 C ATOM 997 CD GLU A 63 -10.606 -6.802 -14.751 1.00 0.00 C ATOM 998 OE1 GLU A 63 -10.624 -7.532 -13.737 1.00 0.00 O ATOM 999 OE2 GLU A 63 -11.246 -6.996 -15.808 1.00 0.00 O ATOM 0 H GLU A 63 -8.914 -2.432 -13.524 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.931 -3.475 -15.300 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.414 -4.377 -12.917 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.031 -5.033 -13.065 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.717 -5.064 -15.668 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.692 -5.846 -14.480 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.747 -2.195 -12.377 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.853 -1.659 -11.602 1.00 0.00 C ATOM 1008 C ASP A 64 -13.532 -0.543 -12.399 1.00 0.00 C ATOM 1009 O ASP A 64 -14.721 -0.280 -12.215 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.363 -1.067 -10.280 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.273 0.006 -9.676 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -13.152 1.167 -10.123 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -14.066 -0.360 -8.783 1.00 0.00 O ATOM 0 H ASP A 64 -10.833 -2.105 -11.934 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.548 -2.473 -11.395 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.249 -1.875 -9.557 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -11.373 -0.637 -10.436 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.750 0.083 -13.265 1.00 0.00 N ATOM 1019 CA VAL A 65 -13.261 1.165 -14.090 1.00 0.00 C ATOM 1020 C VAL A 65 -13.711 0.603 -15.439 1.00 0.00 C ATOM 1021 O VAL A 65 -14.107 1.356 -16.327 1.00 0.00 O ATOM 1022 CB VAL A 65 -12.207 2.265 -14.221 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.824 1.753 -13.806 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -12.178 2.829 -15.642 1.00 0.00 C ATOM 0 H VAL A 65 -11.765 -0.138 -13.414 1.00 0.00 H new ATOM 0 HA VAL A 65 -14.133 1.623 -13.623 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.482 3.074 -13.544 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.093 2.555 -13.909 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.855 1.421 -12.768 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.538 0.918 -14.445 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.420 3.610 -15.708 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.940 2.031 -16.345 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.154 3.249 -15.887 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.634 -0.714 -15.550 1.00 0.00 N ATOM 1035 CA GLY A 66 -14.030 -1.386 -16.778 1.00 0.00 C ATOM 1036 C GLY A 66 -13.786 -0.491 -17.995 1.00 0.00 C ATOM 1037 O GLY A 66 -14.731 0.047 -18.573 1.00 0.00 O ATOM 0 H GLY A 66 -13.304 -1.335 -14.811 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.469 -2.314 -16.886 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.085 -1.655 -16.726 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.516 -0.359 -18.348 1.00 0.00 N ATOM 1042 CA HIS A 67 -12.137 0.461 -19.486 1.00 0.00 C ATOM 1043 C HIS A 67 -12.713 -0.143 -20.768 1.00 0.00 C ATOM 1044 O HIS A 67 -13.244 -1.253 -20.752 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.619 0.640 -19.544 1.00 0.00 C ATOM 1046 CG HIS A 67 -10.127 1.915 -18.902 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -10.889 3.069 -18.843 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -8.942 2.205 -18.291 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -10.186 4.005 -18.225 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.978 3.468 -17.883 1.00 0.00 N ATOM 0 H HIS A 67 -11.736 -0.806 -17.866 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.558 1.460 -19.376 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.144 -0.209 -19.053 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.301 0.624 -20.586 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -11.833 3.180 -19.213 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.115 1.523 -18.161 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -10.511 5.016 -18.026 1.00 0.00 H new ATOM 1059 N SER A 68 -12.588 0.614 -21.848 1.00 0.00 N ATOM 1060 CA SER A 68 -13.090 0.167 -23.138 1.00 0.00 C ATOM 1061 C SER A 68 -11.969 -0.511 -23.928 1.00 0.00 C ATOM 1062 O SER A 68 -10.791 -0.243 -23.697 1.00 0.00 O ATOM 1063 CB SER A 68 -13.672 1.334 -23.936 1.00 0.00 C ATOM 1064 OG SER A 68 -12.670 2.023 -24.680 1.00 0.00 O ATOM 0 H SER A 68 -12.147 1.534 -21.857 1.00 0.00 H new ATOM 0 HA SER A 68 -13.890 -0.553 -22.964 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.438 0.962 -24.617 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.162 2.030 -23.255 1.00 0.00 H new ATOM 0 HG SER A 68 -13.081 2.760 -25.178 1.00 0.00 H new ATOM 1070 N THR A 69 -12.375 -1.376 -24.845 1.00 0.00 N ATOM 1071 CA THR A 69 -11.419 -2.094 -25.672 1.00 0.00 C ATOM 1072 C THR A 69 -10.462 -1.115 -26.354 1.00 0.00 C ATOM 1073 O THR A 69 -9.299 -1.440 -26.589 1.00 0.00 O ATOM 1074 CB THR A 69 -12.204 -2.963 -26.657 1.00 0.00 C ATOM 1075 OG1 THR A 69 -13.282 -2.127 -27.074 1.00 0.00 O ATOM 1076 CG2 THR A 69 -12.893 -4.146 -25.976 1.00 0.00 C ATOM 0 H THR A 69 -13.353 -1.596 -25.034 1.00 0.00 H new ATOM 0 HA THR A 69 -10.789 -2.749 -25.070 1.00 0.00 H new ATOM 0 HB THR A 69 -11.531 -3.332 -27.431 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.842 -2.611 -27.716 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.435 -4.729 -26.720 1.00 0.00 H new ATOM 0 HG22 THR A 69 -12.144 -4.776 -25.497 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.591 -3.777 -25.225 1.00 0.00 H new ATOM 1084 N ASP A 70 -10.986 0.063 -26.653 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.193 1.094 -27.303 1.00 0.00 C ATOM 1086 C ASP A 70 -9.066 1.530 -26.366 1.00 0.00 C ATOM 1087 O ASP A 70 -7.900 1.546 -26.758 1.00 0.00 O ATOM 1088 CB ASP A 70 -11.043 2.323 -27.625 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.302 3.451 -28.346 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -9.887 3.210 -29.500 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -10.167 4.529 -27.727 1.00 0.00 O ATOM 0 H ASP A 70 -11.951 0.328 -26.457 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.795 0.679 -28.229 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.887 2.011 -28.241 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.455 2.715 -26.695 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.452 1.872 -25.146 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.488 2.308 -24.151 1.00 0.00 C ATOM 1098 C ALA A 71 -7.349 1.290 -24.069 1.00 0.00 C ATOM 1099 O ALA A 71 -6.176 1.662 -24.106 1.00 0.00 O ATOM 1100 CB ALA A 71 -9.194 2.501 -22.806 1.00 0.00 C ATOM 0 H ALA A 71 -10.420 1.856 -24.824 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.054 3.267 -24.433 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.471 2.828 -22.059 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.975 3.255 -22.910 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.640 1.558 -22.490 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.733 0.027 -23.963 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.758 -1.048 -23.877 1.00 0.00 C ATOM 1108 C ARG A 72 -5.914 -1.101 -25.152 1.00 0.00 C ATOM 1109 O ARG A 72 -4.733 -1.440 -25.105 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.445 -2.398 -23.670 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.468 -2.325 -22.534 1.00 0.00 C ATOM 1112 CD ARG A 72 -9.151 -3.680 -22.325 1.00 0.00 C ATOM 1113 NE ARG A 72 -10.593 -3.572 -22.638 1.00 0.00 N ATOM 1114 CZ ARG A 72 -11.463 -4.584 -22.524 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -11.043 -5.785 -22.104 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -12.755 -4.396 -22.829 1.00 0.00 N ATOM 0 H ARG A 72 -8.706 -0.277 -23.935 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.115 -0.846 -23.020 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.941 -2.703 -24.592 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.698 -3.159 -23.443 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.973 -2.017 -21.613 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.217 -1.567 -22.762 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.687 -4.433 -22.963 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.018 -4.009 -21.294 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.946 -2.671 -22.961 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.060 -5.929 -21.871 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.706 -6.555 -22.017 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.076 -3.482 -23.148 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.417 -5.167 -22.742 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.554 -0.762 -26.261 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.877 -0.768 -27.548 1.00 0.00 C ATOM 1132 C GLU A 73 -4.850 0.363 -27.611 1.00 0.00 C ATOM 1133 O GLU A 73 -3.695 0.138 -27.970 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.882 -0.661 -28.696 1.00 0.00 C ATOM 1135 CG GLU A 73 -7.447 -2.036 -29.060 1.00 0.00 C ATOM 1136 CD GLU A 73 -8.745 -1.902 -29.857 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -8.849 -0.910 -30.611 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -9.606 -2.794 -29.695 1.00 0.00 O ATOM 0 H GLU A 73 -7.534 -0.481 -26.296 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.351 -1.717 -27.657 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.695 0.007 -28.411 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.398 -0.220 -29.568 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.713 -2.592 -29.644 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.632 -2.609 -28.152 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.307 1.557 -27.258 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.442 2.724 -27.271 1.00 0.00 C ATOM 1147 C LEU A 74 -3.187 2.432 -26.445 1.00 0.00 C ATOM 1148 O LEU A 74 -2.090 2.854 -26.806 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.208 3.963 -26.808 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.911 4.445 -25.386 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.985 5.663 -25.404 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -6.205 4.720 -24.619 1.00 0.00 C ATOM 0 H LEU A 74 -6.266 1.740 -26.961 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.112 2.943 -28.287 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.992 4.778 -27.499 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.275 3.755 -26.884 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.387 3.649 -24.857 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.789 5.986 -24.382 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.045 5.398 -25.887 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.461 6.474 -25.956 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.965 5.061 -23.612 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.778 5.490 -25.136 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.795 3.805 -24.562 1.00 0.00 H new ATOM 1164 N SER A 75 -3.392 1.712 -25.352 1.00 0.00 N ATOM 1165 CA SER A 75 -2.291 1.358 -24.472 1.00 0.00 C ATOM 1166 C SER A 75 -1.334 0.403 -25.187 1.00 0.00 C ATOM 1167 O SER A 75 -0.121 0.474 -24.996 1.00 0.00 O ATOM 1168 CB SER A 75 -2.803 0.726 -23.176 1.00 0.00 C ATOM 1169 OG SER A 75 -4.218 0.836 -23.051 1.00 0.00 O ATOM 0 H SER A 75 -4.304 1.364 -25.056 1.00 0.00 H new ATOM 0 HA SER A 75 -1.755 2.271 -24.212 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.517 -0.326 -23.148 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.325 1.209 -22.324 1.00 0.00 H new ATOM 0 HG SER A 75 -4.524 1.652 -23.500 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.916 -0.468 -25.997 1.00 0.00 N ATOM 1176 CA LYS A 76 -1.130 -1.438 -26.742 1.00 0.00 C ATOM 1177 C LYS A 76 -0.123 -0.699 -27.626 1.00 0.00 C ATOM 1178 O LYS A 76 0.865 -1.284 -28.070 1.00 0.00 O ATOM 1179 CB LYS A 76 -2.046 -2.388 -27.517 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.972 -2.115 -29.021 1.00 0.00 C ATOM 1181 CD LYS A 76 -3.043 -2.907 -29.773 1.00 0.00 C ATOM 1182 CE LYS A 76 -3.723 -2.038 -30.835 1.00 0.00 C ATOM 1183 NZ LYS A 76 -3.863 -2.785 -32.105 1.00 0.00 N ATOM 0 H LYS A 76 -2.922 -0.523 -26.154 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.557 -2.068 -26.062 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.759 -3.420 -27.316 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.073 -2.270 -27.172 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.104 -1.049 -29.208 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.985 -2.385 -29.395 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.591 -3.779 -30.246 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.788 -3.277 -29.069 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -4.705 -1.723 -30.481 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.139 -1.133 -31.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -4.326 -2.181 -32.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.922 -3.064 -32.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.440 -3.636 -31.946 1.00 0.00 H new ATOM 1197 N THR A 77 -0.405 0.575 -27.853 1.00 0.00 N ATOM 1198 CA THR A 77 0.464 1.400 -28.675 1.00 0.00 C ATOM 1199 C THR A 77 1.540 2.063 -27.814 1.00 0.00 C ATOM 1200 O THR A 77 2.564 2.511 -28.328 1.00 0.00 O ATOM 1201 CB THR A 77 -0.411 2.400 -29.432 1.00 0.00 C ATOM 1202 OG1 THR A 77 -0.579 3.479 -28.516 1.00 0.00 O ATOM 1203 CG2 THR A 77 -1.832 1.881 -29.662 1.00 0.00 C ATOM 0 H THR A 77 -1.224 1.057 -27.482 1.00 0.00 H new ATOM 0 HA THR A 77 1.003 0.799 -29.407 1.00 0.00 H new ATOM 0 HB THR A 77 0.050 2.630 -30.392 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.945 3.139 -27.673 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.410 2.630 -30.203 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.793 0.961 -30.246 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.306 1.681 -28.701 1.00 0.00 H new ATOM 1211 N PHE A 78 1.271 2.108 -26.517 1.00 0.00 N ATOM 1212 CA PHE A 78 2.204 2.709 -25.579 1.00 0.00 C ATOM 1213 C PHE A 78 2.983 1.636 -24.817 1.00 0.00 C ATOM 1214 O PHE A 78 3.884 1.952 -24.041 1.00 0.00 O ATOM 1215 CB PHE A 78 1.375 3.522 -24.584 1.00 0.00 C ATOM 1216 CG PHE A 78 0.890 4.867 -25.130 1.00 0.00 C ATOM 1217 CD1 PHE A 78 1.761 5.696 -25.769 1.00 0.00 C ATOM 1218 CD2 PHE A 78 -0.410 5.236 -24.976 1.00 0.00 C ATOM 1219 CE1 PHE A 78 1.311 6.943 -26.276 1.00 0.00 C ATOM 1220 CE2 PHE A 78 -0.859 6.484 -25.483 1.00 0.00 C ATOM 1221 CZ PHE A 78 0.012 7.311 -26.122 1.00 0.00 C ATOM 0 H PHE A 78 0.420 1.738 -26.094 1.00 0.00 H new ATOM 0 HA PHE A 78 2.922 3.330 -26.115 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.510 2.932 -24.280 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.971 3.699 -23.689 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.794 5.405 -25.890 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.101 4.580 -24.468 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.001 7.600 -26.784 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.891 6.777 -25.361 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.329 8.261 -26.507 1.00 0.00 H new ATOM 1231 N ILE A 79 2.610 0.390 -25.066 1.00 0.00 N ATOM 1232 CA ILE A 79 3.265 -0.732 -24.414 1.00 0.00 C ATOM 1233 C ILE A 79 4.770 -0.664 -24.677 1.00 0.00 C ATOM 1234 O ILE A 79 5.197 -0.517 -25.822 1.00 0.00 O ATOM 1235 CB ILE A 79 2.624 -2.053 -24.845 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.424 -2.396 -23.962 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.656 -3.180 -24.874 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.157 -3.901 -23.960 1.00 0.00 C ATOM 0 H ILE A 79 1.863 0.132 -25.710 1.00 0.00 H new ATOM 0 HA ILE A 79 3.128 -0.676 -23.334 1.00 0.00 H new ATOM 0 HB ILE A 79 2.250 -1.934 -25.862 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.608 -2.055 -22.943 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.541 -1.867 -24.321 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.174 -4.107 -25.183 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.448 -2.930 -25.580 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.083 -3.308 -23.879 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.298 -4.117 -23.324 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.949 -4.235 -24.977 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.033 -4.425 -23.578 1.00 0.00 H new ATOM 1250 N ILE A 80 5.533 -0.774 -23.600 1.00 0.00 N ATOM 1251 CA ILE A 80 6.983 -0.725 -23.702 1.00 0.00 C ATOM 1252 C ILE A 80 7.551 -2.130 -23.483 1.00 0.00 C ATOM 1253 O ILE A 80 8.584 -2.479 -24.050 1.00 0.00 O ATOM 1254 CB ILE A 80 7.553 0.324 -22.747 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.777 0.345 -21.428 1.00 0.00 C ATOM 1256 CG2 ILE A 80 7.592 1.704 -23.409 1.00 0.00 C ATOM 1257 CD1 ILE A 80 7.677 0.780 -20.270 1.00 0.00 C ATOM 0 H ILE A 80 5.176 -0.897 -22.653 1.00 0.00 H new ATOM 0 HA ILE A 80 7.285 -0.409 -24.701 1.00 0.00 H new ATOM 0 HB ILE A 80 8.581 0.049 -22.512 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.930 1.026 -21.511 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.371 -0.646 -21.225 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.001 2.432 -22.709 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.220 1.663 -24.299 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.582 2.001 -23.692 1.00 0.00 H new ATOM 0 HD11 ILE A 80 7.101 0.787 -19.344 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.510 0.083 -20.175 1.00 0.00 H new ATOM 0 HD13 ILE A 80 8.062 1.781 -20.465 1.00 0.00 H new ATOM 1269 N GLY A 81 6.851 -2.895 -22.659 1.00 0.00 N ATOM 1270 CA GLY A 81 7.274 -4.252 -22.357 1.00 0.00 C ATOM 1271 C GLY A 81 6.172 -5.017 -21.620 1.00 0.00 C ATOM 1272 O GLY A 81 4.987 -4.781 -21.847 1.00 0.00 O ATOM 0 H GLY A 81 5.994 -2.601 -22.191 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.528 -4.772 -23.281 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.177 -4.228 -21.746 1.00 0.00 H new ATOM 1276 N GLU A 82 6.604 -5.919 -20.750 1.00 0.00 N ATOM 1277 CA GLU A 82 5.670 -6.721 -19.977 1.00 0.00 C ATOM 1278 C GLU A 82 6.305 -7.142 -18.650 1.00 0.00 C ATOM 1279 O GLU A 82 7.528 -7.159 -18.520 1.00 0.00 O ATOM 1280 CB GLU A 82 5.204 -7.940 -20.775 1.00 0.00 C ATOM 1281 CG GLU A 82 5.341 -7.697 -22.279 1.00 0.00 C ATOM 1282 CD GLU A 82 4.906 -8.929 -23.075 1.00 0.00 C ATOM 1283 OE1 GLU A 82 4.411 -9.876 -22.430 1.00 0.00 O ATOM 1284 OE2 GLU A 82 5.080 -8.894 -24.313 1.00 0.00 O ATOM 0 H GLU A 82 7.588 -6.112 -20.563 1.00 0.00 H new ATOM 0 HA GLU A 82 4.791 -6.114 -19.760 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.792 -8.812 -20.489 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.165 -8.162 -20.532 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.734 -6.839 -22.569 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.376 -7.451 -22.519 1.00 0.00 H new ATOM 1291 N LEU A 83 5.445 -7.473 -17.699 1.00 0.00 N ATOM 1292 CA LEU A 83 5.906 -7.894 -16.386 1.00 0.00 C ATOM 1293 C LEU A 83 6.544 -9.279 -16.496 1.00 0.00 C ATOM 1294 O LEU A 83 5.881 -10.244 -16.875 1.00 0.00 O ATOM 1295 CB LEU A 83 4.765 -7.821 -15.368 1.00 0.00 C ATOM 1296 CG LEU A 83 5.167 -7.967 -13.899 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.658 -8.286 -13.768 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.773 -6.726 -13.097 1.00 0.00 C ATOM 0 H LEU A 83 4.431 -7.458 -17.811 1.00 0.00 H new ATOM 0 HA LEU A 83 6.675 -7.216 -16.016 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.255 -6.866 -15.491 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.042 -8.601 -15.606 1.00 0.00 H new ATOM 0 HG LEU A 83 4.619 -8.810 -13.477 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.918 -8.385 -12.714 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.877 -9.220 -14.285 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.243 -7.480 -14.212 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.070 -6.856 -12.056 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.274 -5.851 -13.511 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.693 -6.585 -13.151 1.00 0.00 H new ATOM 1310 N HIS A 84 7.823 -9.335 -16.155 1.00 0.00 N ATOM 1311 CA HIS A 84 8.559 -10.588 -16.211 1.00 0.00 C ATOM 1312 C HIS A 84 7.977 -11.570 -15.193 1.00 0.00 C ATOM 1313 O HIS A 84 6.965 -11.282 -14.555 1.00 0.00 O ATOM 1314 CB HIS A 84 10.057 -10.347 -16.014 1.00 0.00 C ATOM 1315 CG HIS A 84 10.922 -10.912 -17.116 1.00 0.00 C ATOM 1316 ND1 HIS A 84 10.592 -11.375 -18.355 1.00 0.00 N flip ATOM 1317 CD2 HIS A 84 12.293 -11.044 -16.999 1.00 0.00 C flip ATOM 1318 CE1 HIS A 84 11.704 -11.770 -18.964 1.00 0.00 C flip ATOM 1319 NE2 HIS A 84 12.759 -11.566 -18.124 1.00 0.00 N flip ATOM 0 H HIS A 84 8.369 -8.533 -15.839 1.00 0.00 H new ATOM 0 HA HIS A 84 8.449 -11.035 -17.199 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.235 -9.274 -15.941 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.363 -10.787 -15.065 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.883 -10.769 -16.138 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.763 -12.184 -19.960 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.736 -11.778 -18.327 1.00 0.00 H new ATOM 1328 N PRO A 85 8.658 -12.740 -15.069 1.00 0.00 N ATOM 1329 CA PRO A 85 8.219 -13.768 -14.139 1.00 0.00 C ATOM 1330 C PRO A 85 8.553 -13.380 -12.697 1.00 0.00 C ATOM 1331 O PRO A 85 8.383 -14.182 -11.780 1.00 0.00 O ATOM 1332 CB PRO A 85 8.924 -15.035 -14.592 1.00 0.00 C ATOM 1333 CG PRO A 85 10.083 -14.580 -15.465 1.00 0.00 C ATOM 1334 CD PRO A 85 9.859 -13.116 -15.809 1.00 0.00 C ATOM 0 HA PRO A 85 7.138 -13.907 -14.144 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.281 -15.610 -13.737 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.246 -15.681 -15.149 1.00 0.00 H new ATOM 0 HG2 PRO A 85 11.030 -14.709 -14.940 1.00 0.00 H new ATOM 0 HG3 PRO A 85 10.137 -15.182 -16.372 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.713 -12.505 -15.515 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.723 -12.978 -16.882 1.00 0.00 H new ATOM 1342 N ASP A 86 9.023 -12.150 -12.542 1.00 0.00 N ATOM 1343 CA ASP A 86 9.383 -11.648 -11.227 1.00 0.00 C ATOM 1344 C ASP A 86 8.111 -11.260 -10.468 1.00 0.00 C ATOM 1345 O ASP A 86 8.102 -11.230 -9.239 1.00 0.00 O ATOM 1346 CB ASP A 86 10.266 -10.405 -11.337 1.00 0.00 C ATOM 1347 CG ASP A 86 9.920 -9.277 -10.360 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.359 -9.383 -9.195 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.226 -8.337 -10.802 1.00 0.00 O ATOM 0 H ASP A 86 9.162 -11.487 -13.305 1.00 0.00 H new ATOM 0 HA ASP A 86 9.928 -12.433 -10.703 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.303 -10.699 -11.176 1.00 0.00 H new ATOM 0 HB3 ASP A 86 10.198 -10.018 -12.354 1.00 0.00 H new ATOM 1354 N ASP A 87 7.070 -10.973 -11.234 1.00 0.00 N ATOM 1355 CA ASP A 87 5.795 -10.587 -10.650 1.00 0.00 C ATOM 1356 C ASP A 87 4.686 -10.766 -11.689 1.00 0.00 C ATOM 1357 O ASP A 87 3.818 -9.906 -11.829 1.00 0.00 O ATOM 1358 CB ASP A 87 5.807 -9.120 -10.220 1.00 0.00 C ATOM 1359 CG ASP A 87 6.163 -8.879 -8.752 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.270 -9.103 -7.907 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.321 -8.476 -8.506 1.00 0.00 O ATOM 0 H ASP A 87 7.082 -11.000 -12.254 1.00 0.00 H new ATOM 0 HA ASP A 87 5.621 -11.217 -9.778 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.519 -8.580 -10.844 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.824 -8.692 -10.415 1.00 0.00 H new ATOM 1366 N ARG A 88 4.754 -11.887 -12.392 1.00 0.00 N ATOM 1367 CA ARG A 88 3.768 -12.190 -13.415 1.00 0.00 C ATOM 1368 C ARG A 88 2.483 -12.720 -12.774 1.00 0.00 C ATOM 1369 O ARG A 88 1.467 -12.028 -12.748 1.00 0.00 O ATOM 1370 CB ARG A 88 4.301 -13.226 -14.406 1.00 0.00 C ATOM 1371 CG ARG A 88 4.412 -12.635 -15.813 1.00 0.00 C ATOM 1372 CD ARG A 88 5.577 -13.263 -16.581 1.00 0.00 C ATOM 1373 NE ARG A 88 5.080 -13.890 -17.827 1.00 0.00 N ATOM 1374 CZ ARG A 88 5.843 -14.128 -18.903 1.00 0.00 C ATOM 1375 NH1 ARG A 88 7.140 -13.794 -18.892 1.00 0.00 N ATOM 1376 NH2 ARG A 88 5.308 -14.701 -19.990 1.00 0.00 N ATOM 0 H ARG A 88 5.477 -12.597 -12.273 1.00 0.00 H new ATOM 0 HA ARG A 88 3.555 -11.266 -13.953 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.279 -13.578 -14.078 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.639 -14.092 -14.423 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.482 -12.802 -16.356 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.554 -11.556 -15.748 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.320 -12.502 -16.818 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.073 -14.010 -15.960 1.00 0.00 H new ATOM 0 HE ARG A 88 4.097 -14.157 -17.869 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.547 -13.358 -18.065 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.720 -13.975 -19.711 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.320 -14.956 -19.998 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.888 -14.882 -20.809 1.00 0.00 H new ATOM 1390 N SER A 89 2.573 -13.943 -12.272 1.00 0.00 N ATOM 1391 CA SER A 89 1.430 -14.576 -11.634 1.00 0.00 C ATOM 1392 C SER A 89 1.012 -13.773 -10.400 1.00 0.00 C ATOM 1393 O SER A 89 0.000 -14.079 -9.770 1.00 0.00 O ATOM 1394 CB SER A 89 1.746 -16.020 -11.245 1.00 0.00 C ATOM 1395 OG SER A 89 2.626 -16.092 -10.126 1.00 0.00 O ATOM 0 H SER A 89 3.419 -14.512 -12.294 1.00 0.00 H new ATOM 0 HA SER A 89 0.605 -14.594 -12.347 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.819 -16.543 -11.011 1.00 0.00 H new ATOM 0 HB3 SER A 89 2.197 -16.534 -12.094 1.00 0.00 H new ATOM 0 HG SER A 89 2.802 -17.031 -9.908 1.00 0.00 H new ATOM 1401 N LYS A 90 1.811 -12.762 -10.091 1.00 0.00 N ATOM 1402 CA LYS A 90 1.537 -11.916 -8.944 1.00 0.00 C ATOM 1403 C LYS A 90 0.528 -10.835 -9.342 1.00 0.00 C ATOM 1404 O LYS A 90 -0.272 -10.395 -8.519 1.00 0.00 O ATOM 1405 CB LYS A 90 2.838 -11.356 -8.365 1.00 0.00 C ATOM 1406 CG LYS A 90 3.308 -12.184 -7.169 1.00 0.00 C ATOM 1407 CD LYS A 90 2.523 -11.820 -5.907 1.00 0.00 C ATOM 1408 CE LYS A 90 1.848 -13.053 -5.306 1.00 0.00 C ATOM 1409 NZ LYS A 90 1.709 -12.906 -3.840 1.00 0.00 N ATOM 0 H LYS A 90 2.648 -12.510 -10.616 1.00 0.00 H new ATOM 0 HA LYS A 90 1.084 -12.499 -8.143 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.610 -11.352 -9.134 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.688 -10.321 -8.058 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.184 -13.245 -7.385 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.372 -12.015 -7.001 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.194 -11.375 -5.173 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.770 -11.069 -6.147 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.866 -13.194 -5.758 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.434 -13.943 -5.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.249 -13.752 -3.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.650 -12.794 -3.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.130 -12.068 -3.628 1.00 0.00 H new ATOM 1423 N ILE A 91 0.599 -10.441 -10.605 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.299 -9.423 -11.122 1.00 0.00 C ATOM 1425 C ILE A 91 -0.926 -9.917 -12.428 1.00 0.00 C ATOM 1426 O ILE A 91 -2.143 -9.874 -12.592 1.00 0.00 O ATOM 1427 CB ILE A 91 0.431 -8.086 -11.260 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.798 -7.807 -12.719 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.653 -8.032 -10.341 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.427 -6.421 -12.871 1.00 0.00 C ATOM 0 H ILE A 91 1.264 -10.808 -11.285 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.116 -9.245 -10.422 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.247 -7.293 -10.943 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.494 -8.567 -13.074 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.094 -7.876 -13.342 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.154 -7.071 -10.458 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.335 -8.151 -9.305 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.342 -8.835 -10.604 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.678 -6.248 -13.917 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.719 -5.662 -12.538 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.332 -6.364 -12.266 1.00 0.00 H new ATOM 1442 N THR A 92 -0.064 -10.376 -13.325 1.00 0.00 N ATOM 1443 CA THR A 92 -0.518 -10.877 -14.610 1.00 0.00 C ATOM 1444 C THR A 92 -1.914 -11.489 -14.481 1.00 0.00 C ATOM 1445 O THR A 92 -2.230 -12.115 -13.471 1.00 0.00 O ATOM 1446 CB THR A 92 0.532 -11.862 -15.131 1.00 0.00 C ATOM 1447 OG1 THR A 92 0.305 -11.899 -16.537 1.00 0.00 O ATOM 1448 CG2 THR A 92 0.266 -13.298 -14.672 1.00 0.00 C ATOM 0 H THR A 92 0.946 -10.411 -13.186 1.00 0.00 H new ATOM 0 HA THR A 92 -0.617 -10.070 -15.336 1.00 0.00 H new ATOM 0 HB THR A 92 1.521 -11.551 -14.794 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.944 -12.513 -16.955 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.039 -13.956 -15.069 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.278 -13.340 -13.583 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.709 -13.622 -15.037 1.00 0.00 H new ATOM 1456 N LYS A 93 -2.712 -11.288 -15.520 1.00 0.00 N ATOM 1457 CA LYS A 93 -4.067 -11.812 -15.534 1.00 0.00 C ATOM 1458 C LYS A 93 -4.881 -11.141 -14.427 1.00 0.00 C ATOM 1459 O LYS A 93 -4.786 -11.524 -13.263 1.00 0.00 O ATOM 1460 CB LYS A 93 -4.051 -13.340 -15.448 1.00 0.00 C ATOM 1461 CG LYS A 93 -5.413 -13.924 -15.827 1.00 0.00 C ATOM 1462 CD LYS A 93 -5.286 -15.395 -16.230 1.00 0.00 C ATOM 1463 CE LYS A 93 -6.627 -16.120 -16.089 1.00 0.00 C ATOM 1464 NZ LYS A 93 -6.721 -17.228 -17.065 1.00 0.00 N ATOM 0 H LYS A 93 -2.446 -10.770 -16.357 1.00 0.00 H new ATOM 0 HA LYS A 93 -4.558 -11.574 -16.478 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.283 -13.737 -16.112 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -3.788 -13.648 -14.436 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.099 -13.832 -14.985 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.841 -13.353 -16.651 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.937 -15.465 -17.260 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.537 -15.883 -15.606 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -6.732 -16.509 -15.076 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.445 -15.418 -16.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.636 -17.710 -16.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.642 -16.848 -18.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.951 -17.906 -16.896 1.00 0.00 H new ATOM 1478 N PRO A 94 -5.685 -10.124 -14.839 1.00 0.00 N ATOM 1479 CA PRO A 94 -6.515 -9.396 -13.895 1.00 0.00 C ATOM 1480 C PRO A 94 -7.727 -10.229 -13.476 1.00 0.00 C ATOM 1481 O PRO A 94 -8.122 -11.157 -14.180 1.00 0.00 O ATOM 1482 CB PRO A 94 -6.897 -8.113 -14.616 1.00 0.00 C ATOM 1483 CG PRO A 94 -6.656 -8.376 -16.094 1.00 0.00 C ATOM 1484 CD PRO A 94 -5.823 -9.642 -16.211 1.00 0.00 C ATOM 0 HA PRO A 94 -5.997 -9.174 -12.962 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -7.940 -7.857 -14.430 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.295 -7.274 -14.266 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.603 -8.492 -16.621 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -6.137 -7.534 -16.552 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.314 -10.382 -16.843 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -4.850 -9.436 -16.658 1.00 0.00 H new ATOM 1492 N SER A 95 -8.284 -9.869 -12.329 1.00 0.00 N ATOM 1493 CA SER A 95 -9.444 -10.571 -11.807 1.00 0.00 C ATOM 1494 C SER A 95 -10.056 -9.781 -10.648 1.00 0.00 C ATOM 1495 O SER A 95 -9.443 -8.848 -10.135 1.00 0.00 O ATOM 1496 CB SER A 95 -9.072 -11.983 -11.349 1.00 0.00 C ATOM 1497 OG SER A 95 -8.433 -11.980 -10.075 1.00 0.00 O ATOM 0 H SER A 95 -7.953 -9.100 -11.746 1.00 0.00 H new ATOM 0 HA SER A 95 -10.180 -10.659 -12.607 1.00 0.00 H new ATOM 0 HB2 SER A 95 -9.971 -12.598 -11.302 1.00 0.00 H new ATOM 0 HB3 SER A 95 -8.411 -12.441 -12.085 1.00 0.00 H new ATOM 0 HG SER A 95 -8.213 -12.900 -9.817 1.00 0.00 H new ATOM 1503 N GLU A 96 -11.260 -10.186 -10.270 1.00 0.00 N ATOM 1504 CA GLU A 96 -11.963 -9.528 -9.181 1.00 0.00 C ATOM 1505 C GLU A 96 -12.227 -10.517 -8.045 1.00 0.00 C ATOM 1506 O GLU A 96 -12.008 -11.718 -8.199 1.00 0.00 O ATOM 1507 CB GLU A 96 -13.267 -8.896 -9.673 1.00 0.00 C ATOM 1508 CG GLU A 96 -13.180 -7.369 -9.651 1.00 0.00 C ATOM 1509 CD GLU A 96 -14.439 -6.739 -10.251 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -14.911 -7.279 -11.275 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -14.900 -5.732 -9.672 1.00 0.00 O ATOM 0 H GLU A 96 -11.766 -10.961 -10.698 1.00 0.00 H new ATOM 0 HA GLU A 96 -11.331 -8.726 -8.798 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -13.481 -9.237 -10.686 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -14.094 -9.226 -9.045 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -13.050 -7.023 -8.626 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.304 -7.043 -10.211 1.00 0.00 H new ATOM 1518 N SER A 97 -12.694 -9.976 -6.928 1.00 0.00 N ATOM 1519 CA SER A 97 -12.991 -10.797 -5.767 1.00 0.00 C ATOM 1520 C SER A 97 -14.504 -10.889 -5.564 1.00 0.00 C ATOM 1521 O SER A 97 -15.264 -10.169 -6.207 1.00 0.00 O ATOM 1522 CB SER A 97 -12.318 -10.236 -4.511 1.00 0.00 C ATOM 1523 OG SER A 97 -12.951 -9.043 -4.055 1.00 0.00 O ATOM 0 H SER A 97 -12.874 -8.980 -6.803 1.00 0.00 H new ATOM 0 HA SER A 97 -12.595 -11.797 -5.943 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.344 -10.986 -3.720 1.00 0.00 H new ATOM 0 HB3 SER A 97 -11.268 -10.032 -4.722 1.00 0.00 H new ATOM 0 HG SER A 97 -12.494 -8.717 -3.252 1.00 0.00 H new ATOM 1529 N ILE A 98 -14.895 -11.780 -4.664 1.00 0.00 N ATOM 1530 CA ILE A 98 -16.304 -11.976 -4.368 1.00 0.00 C ATOM 1531 C ILE A 98 -16.764 -10.906 -3.376 1.00 0.00 C ATOM 1532 O ILE A 98 -15.959 -10.105 -2.902 1.00 0.00 O ATOM 1533 CB ILE A 98 -16.557 -13.407 -3.890 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -15.763 -13.708 -2.615 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -16.262 -14.417 -5.001 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -16.700 -14.061 -1.458 1.00 0.00 C ATOM 0 H ILE A 98 -14.260 -12.374 -4.130 1.00 0.00 H new ATOM 0 HA ILE A 98 -16.904 -11.856 -5.270 1.00 0.00 H new ATOM 0 HB ILE A 98 -17.614 -13.502 -3.641 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -15.076 -14.534 -2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -15.157 -12.843 -2.346 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -16.450 -15.426 -4.635 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -16.907 -14.216 -5.856 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -15.219 -14.330 -5.304 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -16.112 -14.270 -0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -17.370 -13.223 -1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -17.287 -14.941 -1.721 1.00 0.00 H new ATOM 1548 N ILE A 99 -18.059 -10.925 -3.093 1.00 0.00 N ATOM 1549 CA ILE A 99 -18.636 -9.967 -2.167 1.00 0.00 C ATOM 1550 C ILE A 99 -19.597 -10.691 -1.223 1.00 0.00 C ATOM 1551 O ILE A 99 -20.243 -11.661 -1.613 1.00 0.00 O ATOM 1552 CB ILE A 99 -19.282 -8.807 -2.929 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -19.623 -7.654 -1.985 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -20.505 -9.283 -3.718 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -18.452 -6.675 -1.869 1.00 0.00 C ATOM 0 H ILE A 99 -18.724 -11.589 -3.489 1.00 0.00 H new ATOM 0 HA ILE A 99 -17.858 -9.519 -1.549 1.00 0.00 H new ATOM 0 HB ILE A 99 -18.559 -8.428 -3.652 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -20.506 -7.129 -2.350 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -19.872 -8.048 -0.999 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -20.945 -8.440 -4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -20.201 -10.046 -4.435 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -21.240 -9.703 -3.031 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -18.721 -5.865 -1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -17.578 -7.198 -1.480 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -18.222 -6.265 -2.852 1.00 0.00 H new ATOM 1567 N THR A 100 -19.659 -10.193 0.004 1.00 0.00 N ATOM 1568 CA THR A 100 -20.529 -10.781 1.007 1.00 0.00 C ATOM 1569 C THR A 100 -21.627 -9.792 1.408 1.00 0.00 C ATOM 1570 O THR A 100 -21.490 -8.589 1.194 1.00 0.00 O ATOM 1571 CB THR A 100 -19.659 -11.232 2.182 1.00 0.00 C ATOM 1572 OG1 THR A 100 -20.581 -11.835 3.086 1.00 0.00 O ATOM 1573 CG2 THR A 100 -19.082 -10.054 2.970 1.00 0.00 C ATOM 0 H THR A 100 -19.120 -9.389 0.325 1.00 0.00 H new ATOM 0 HA THR A 100 -21.050 -11.655 0.615 1.00 0.00 H new ATOM 0 HB THR A 100 -18.845 -11.855 1.812 1.00 0.00 H new ATOM 0 HG1 THR A 100 -20.100 -12.157 3.877 1.00 0.00 H new ATOM 0 HG21 THR A 100 -18.473 -10.430 3.792 1.00 0.00 H new ATOM 0 HG22 THR A 100 -18.465 -9.443 2.311 1.00 0.00 H new ATOM 0 HG23 THR A 100 -19.896 -9.449 3.369 1.00 0.00 H new ATOM 1581 N THR A 101 -22.688 -10.337 1.984 1.00 0.00 N ATOM 1582 CA THR A 101 -23.808 -9.518 2.417 1.00 0.00 C ATOM 1583 C THR A 101 -24.429 -10.093 3.691 1.00 0.00 C ATOM 1584 O THR A 101 -24.773 -11.273 3.739 1.00 0.00 O ATOM 1585 CB THR A 101 -24.796 -9.414 1.252 1.00 0.00 C ATOM 1586 OG1 THR A 101 -24.059 -8.745 0.231 1.00 0.00 O ATOM 1587 CG2 THR A 101 -25.959 -8.466 1.555 1.00 0.00 C ATOM 0 H THR A 101 -22.796 -11.336 2.161 1.00 0.00 H new ATOM 0 HA THR A 101 -23.483 -8.511 2.678 1.00 0.00 H new ATOM 0 HB THR A 101 -25.186 -10.404 1.016 1.00 0.00 H new ATOM 0 HG1 THR A 101 -24.624 -8.637 -0.563 1.00 0.00 H new ATOM 0 HG21 THR A 101 -26.630 -8.428 0.697 1.00 0.00 H new ATOM 0 HG22 THR A 101 -26.505 -8.827 2.427 1.00 0.00 H new ATOM 0 HG23 THR A 101 -25.571 -7.467 1.757 1.00 0.00 H new ATOM 1595 N ILE A 102 -24.554 -9.233 4.691 1.00 0.00 N ATOM 1596 CA ILE A 102 -25.128 -9.641 5.962 1.00 0.00 C ATOM 1597 C ILE A 102 -26.553 -9.098 6.070 1.00 0.00 C ATOM 1598 O ILE A 102 -27.419 -9.730 6.677 1.00 0.00 O ATOM 1599 CB ILE A 102 -24.220 -9.221 7.119 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -23.900 -7.726 7.051 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -22.952 -10.076 7.160 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -23.353 -7.221 8.386 1.00 0.00 C ATOM 0 H ILE A 102 -24.268 -8.255 4.647 1.00 0.00 H new ATOM 0 HA ILE A 102 -25.195 -10.727 6.019 1.00 0.00 H new ATOM 0 HB ILE A 102 -24.756 -9.394 8.052 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -23.170 -7.542 6.262 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -24.800 -7.170 6.789 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -22.324 -9.756 7.992 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -23.224 -11.123 7.292 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -22.403 -9.958 6.225 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -23.134 -6.156 8.310 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -24.095 -7.384 9.168 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -22.440 -7.762 8.633 1.00 0.00 H new ATOM 1614 N ASP A 103 -26.756 -7.933 5.473 1.00 0.00 N ATOM 1615 CA ASP A 103 -28.063 -7.297 5.495 1.00 0.00 C ATOM 1616 C ASP A 103 -28.475 -7.039 6.946 1.00 0.00 C ATOM 1617 O ASP A 103 -27.864 -7.569 7.872 1.00 0.00 O ATOM 1618 CB ASP A 103 -29.124 -8.196 4.854 1.00 0.00 C ATOM 1619 CG ASP A 103 -29.941 -7.538 3.742 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -29.436 -7.524 2.598 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -31.054 -7.064 4.059 1.00 0.00 O ATOM 0 H ASP A 103 -26.037 -7.412 4.971 1.00 0.00 H new ATOM 0 HA ASP A 103 -27.994 -6.365 4.935 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -28.633 -9.081 4.449 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -29.806 -8.539 5.632 1.00 0.00 H new ATOM 1626 N SER A 104 -29.510 -6.226 7.097 1.00 0.00 N ATOM 1627 CA SER A 104 -30.011 -5.891 8.420 1.00 0.00 C ATOM 1628 C SER A 104 -31.174 -4.903 8.304 1.00 0.00 C ATOM 1629 O SER A 104 -31.839 -4.839 7.271 1.00 0.00 O ATOM 1630 CB SER A 104 -28.902 -5.308 9.297 1.00 0.00 C ATOM 1631 OG SER A 104 -28.213 -4.244 8.648 1.00 0.00 O ATOM 0 H SER A 104 -30.015 -5.789 6.326 1.00 0.00 H new ATOM 0 HA SER A 104 -30.367 -6.806 8.894 1.00 0.00 H new ATOM 0 HB2 SER A 104 -29.331 -4.946 10.231 1.00 0.00 H new ATOM 0 HB3 SER A 104 -28.193 -6.095 9.556 1.00 0.00 H new ATOM 0 HG SER A 104 -27.514 -3.897 9.241 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -8.130 5.401 -17.488 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.717 7.267 -18.625 1.00 0.00 C HETATM 1640 CHB HEM A 105 -7.076 4.881 -20.721 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.656 3.346 -16.334 1.00 0.00 C HETATM 1642 CHD HEM A 105 -9.032 6.073 -14.260 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.785 5.955 -19.284 1.00 0.00 N HETATM 1644 C1A HEM A 105 -9.921 6.648 -19.581 1.00 0.00 C HETATM 1645 C2A HEM A 105 -10.127 6.694 -21.042 1.00 0.00 C HETATM 1646 C3A HEM A 105 -9.058 6.086 -21.647 1.00 0.00 C HETATM 1647 C4A HEM A 105 -8.220 5.639 -20.558 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.799 5.908 -23.142 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.344 7.272 -21.735 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.573 6.401 -21.521 1.00 0.00 C HETATM 1651 CGA HEM A 105 -12.230 4.933 -21.385 1.00 0.00 C HETATM 1652 O1A HEM A 105 -13.021 4.189 -20.774 1.00 0.00 O HETATM 1653 O2A HEM A 105 -11.154 4.515 -21.848 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.673 4.372 -18.330 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.356 4.276 -19.696 1.00 0.00 C HETATM 1656 C2B HEM A 105 -5.202 3.415 -19.909 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.846 2.932 -18.664 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.737 3.556 -17.712 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.608 3.044 -21.266 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.989 1.864 -18.311 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.707 1.585 -18.726 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.482 4.828 -15.692 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.462 3.931 -15.400 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.320 3.698 -13.945 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.283 4.476 -13.371 1.00 0.00 C HETATM 1666 C4C HEM A 105 -7.975 5.193 -14.450 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.298 2.727 -13.305 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.581 4.603 -12.005 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.584 4.698 -11.049 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.601 6.427 -16.608 1.00 0.00 N HETATM 1671 C1D HEM A 105 -9.805 6.647 -15.241 1.00 0.00 C HETATM 1672 C2D HEM A 105 -10.890 7.565 -15.015 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.323 7.930 -16.235 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.567 7.182 -17.234 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.476 8.001 -13.679 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.333 9.008 -16.539 1.00 0.00 C HETATM 1677 CBD HEM A 105 -13.718 8.417 -16.631 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.448 8.869 -17.873 1.00 0.00 C HETATM 1679 O1D HEM A 105 -13.762 9.208 -18.859 1.00 0.00 O HETATM 1680 O2D HEM A 105 -15.701 8.869 -17.873 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.750 5.841 -23.671 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -8.228 4.994 -23.306 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -8.234 6.761 -23.518 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -5.396 3.039 -22.019 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -4.156 2.054 -21.207 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -3.847 3.774 -21.542 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -5.100 1.903 -13.991 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -5.704 2.334 -12.373 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -4.369 3.260 -13.100 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.367 7.195 -12.953 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.533 8.235 -13.804 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -10.948 8.885 -13.321 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -2.190 0.705 -18.344 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -2.209 2.244 -19.437 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -6.847 4.796 -9.996 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.537 4.675 -11.350 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -13.258 6.534 -22.358 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -13.097 6.732 -20.624 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -11.145 7.367 -22.803 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.537 8.276 -21.356 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.292 8.702 -15.750 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.648 7.329 -16.628 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -12.078 9.501 -17.477 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.307 9.770 -15.761 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.532 7.874 -18.990 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.710 4.747 -21.728 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.895 2.667 -15.979 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.271 6.332 -13.239 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.409 1.152 -17.601 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.624 4.627 -11.689 1.00 0.00 H new