USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 827 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 53 HIS HD1 : A 53 HIS ND1 : A 109 ZNZN :(H bumps) USER MOD Set 1.1: A 20 SER OG : rot 180:sc= 0.555 USER MOD Set 1.2: A 27 SER OG : rot 71:sc= 0.612 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.0391 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 55:sc= 0.522 USER MOD Single : A 7 LYS NZ :NH3+ -169:sc= 3.3 (180deg=3.1) USER MOD Single : A 9 TYR OH : rot -107:sc= 0.177 USER MOD Single : A 13 TYR OH : rot -6:sc= 1.89 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -171:sc= 1.12 (180deg=1.05) USER MOD Single : A 32 SER OG : rot -179:sc= 1.2 USER MOD Single : A 35 MET CE :methyl -143:sc= -0.0375 (180deg=-0.65) USER MOD Single : A 38 MET CE :methyl 157:sc= -0.943 (180deg=-2.25!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 41 SER OG : rot 31:sc= 0.677 USER MOD Single : A 43 MET CE :methyl -157:sc=-0.00282 (180deg=-0.117) USER MOD Single : A 47 LYS NZ :NH3+ 178:sc= 1.6 (180deg=1.59) USER MOD Single : A 50 HIS : no HD1:sc= -0.0649 X(o=-0.065,f=-0.48) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0117 USER MOD Single : A 59 LYS NZ :NH3+ 160:sc= 1.4 (180deg=0.785) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.398 K(o=-0.4,f=-2.7!) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0265 USER MOD Single : A 82 GLN : amide:sc= 1.03 K(o=1,f=-0.41) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -147:sc= 1.24 (180deg=-0.00421) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 86:sc= 1.28 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -165:sc= 1.3 (180deg=1.03) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.541 -1.146 16.248 1.00 0.00 N ATOM 2 CA MET A 1 11.181 -0.545 16.198 1.00 0.00 C ATOM 3 C MET A 1 10.132 -1.537 16.703 1.00 0.00 C ATOM 4 O MET A 1 10.296 -2.748 16.540 1.00 0.00 O ATOM 5 CB MET A 1 10.797 -0.059 14.782 1.00 0.00 C ATOM 6 CG MET A 1 11.653 1.108 14.272 1.00 0.00 C ATOM 7 SD MET A 1 11.637 2.585 15.327 1.00 0.00 S ATOM 8 CE MET A 1 12.654 3.692 14.312 1.00 0.00 C ATOM 0 H1 MET A 1 13.109 -0.660 16.971 1.00 0.00 H new ATOM 0 H2 MET A 1 12.466 -2.155 16.488 1.00 0.00 H new ATOM 0 H3 MET A 1 13.000 -1.044 15.320 1.00 0.00 H new ATOM 0 HA MET A 1 11.205 0.327 16.851 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.885 -0.893 14.086 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.750 0.245 14.784 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.682 0.766 14.167 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.306 1.386 13.277 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.752 4.656 14.811 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.642 3.253 14.174 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.180 3.833 13.341 1.00 0.00 H new ATOM 20 N ALA A 2 9.044 -1.036 17.298 1.00 0.00 N ATOM 21 CA ALA A 2 7.890 -1.828 17.743 1.00 0.00 C ATOM 22 C ALA A 2 6.572 -1.040 17.595 1.00 0.00 C ATOM 23 O ALA A 2 6.530 0.173 17.816 1.00 0.00 O ATOM 24 CB ALA A 2 8.115 -2.269 19.196 1.00 0.00 C ATOM 0 H ALA A 2 8.938 -0.040 17.489 1.00 0.00 H new ATOM 0 HA ALA A 2 7.800 -2.710 17.109 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.262 -2.858 19.534 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.020 -2.873 19.257 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.223 -1.389 19.831 1.00 0.00 H new ATOM 30 N GLU A 3 5.493 -1.734 17.228 1.00 0.00 N ATOM 31 CA GLU A 3 4.138 -1.185 17.046 1.00 0.00 C ATOM 32 C GLU A 3 3.062 -2.280 17.179 1.00 0.00 C ATOM 33 O GLU A 3 3.371 -3.476 17.125 1.00 0.00 O ATOM 34 CB GLU A 3 4.025 -0.485 15.674 1.00 0.00 C ATOM 35 CG GLU A 3 4.231 -1.413 14.465 1.00 0.00 C ATOM 36 CD GLU A 3 4.070 -0.632 13.151 1.00 0.00 C ATOM 37 OE1 GLU A 3 2.927 -0.552 12.638 1.00 0.00 O ATOM 38 OE2 GLU A 3 5.078 -0.098 12.625 1.00 0.00 O ATOM 0 H GLU A 3 5.536 -2.736 17.041 1.00 0.00 H new ATOM 0 HA GLU A 3 3.966 -0.453 17.835 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.041 -0.022 15.597 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.760 0.318 15.629 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.224 -1.861 14.509 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.510 -2.230 14.500 1.00 0.00 H new ATOM 45 N SER A 4 1.787 -1.890 17.298 1.00 0.00 N ATOM 46 CA SER A 4 0.659 -2.822 17.154 1.00 0.00 C ATOM 47 C SER A 4 0.490 -3.224 15.684 1.00 0.00 C ATOM 48 O SER A 4 0.249 -2.373 14.823 1.00 0.00 O ATOM 49 CB SER A 4 -0.634 -2.207 17.698 1.00 0.00 C ATOM 50 OG SER A 4 -1.687 -3.153 17.603 1.00 0.00 O ATOM 0 H SER A 4 1.508 -0.929 17.495 1.00 0.00 H new ATOM 0 HA SER A 4 0.875 -3.716 17.739 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.496 -1.904 18.736 1.00 0.00 H new ATOM 0 HB3 SER A 4 -0.887 -1.309 17.135 1.00 0.00 H new ATOM 0 HG SER A 4 -2.513 -2.759 17.953 1.00 0.00 H new ATOM 56 N SER A 5 0.612 -4.521 15.389 1.00 0.00 N ATOM 57 CA SER A 5 0.573 -5.088 14.028 1.00 0.00 C ATOM 58 C SER A 5 -0.788 -5.669 13.635 1.00 0.00 C ATOM 59 O SER A 5 -0.893 -6.537 12.764 1.00 0.00 O ATOM 60 CB SER A 5 1.763 -6.032 13.795 1.00 0.00 C ATOM 61 OG SER A 5 1.736 -7.168 14.648 1.00 0.00 O ATOM 0 H SER A 5 0.745 -5.231 16.109 1.00 0.00 H new ATOM 0 HA SER A 5 0.693 -4.260 13.329 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.762 -6.362 12.756 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.692 -5.485 13.954 1.00 0.00 H new ATOM 0 HG SER A 5 0.879 -7.632 14.548 1.00 0.00 H new ATOM 67 N ASP A 6 -1.858 -5.156 14.249 1.00 0.00 N ATOM 68 CA ASP A 6 -3.226 -5.660 14.107 1.00 0.00 C ATOM 69 C ASP A 6 -3.992 -5.079 12.894 1.00 0.00 C ATOM 70 O ASP A 6 -5.114 -4.577 13.001 1.00 0.00 O ATOM 71 CB ASP A 6 -3.960 -5.526 15.452 1.00 0.00 C ATOM 72 CG ASP A 6 -5.303 -6.285 15.487 1.00 0.00 C ATOM 73 OD1 ASP A 6 -5.377 -7.419 14.955 1.00 0.00 O ATOM 74 OD2 ASP A 6 -6.275 -5.771 16.091 1.00 0.00 O ATOM 0 H ASP A 6 -1.794 -4.355 14.877 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.176 -6.721 13.860 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.317 -5.900 16.249 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.140 -4.471 15.657 1.00 0.00 H new ATOM 79 N LYS A 7 -3.350 -5.144 11.724 1.00 0.00 N ATOM 80 CA LYS A 7 -3.860 -4.824 10.384 1.00 0.00 C ATOM 81 C LYS A 7 -3.376 -5.891 9.400 1.00 0.00 C ATOM 82 O LYS A 7 -2.610 -6.782 9.775 1.00 0.00 O ATOM 83 CB LYS A 7 -3.461 -3.394 9.981 1.00 0.00 C ATOM 84 CG LYS A 7 -1.958 -3.135 10.120 1.00 0.00 C ATOM 85 CD LYS A 7 -1.645 -2.296 11.357 1.00 0.00 C ATOM 86 CE LYS A 7 -0.134 -2.046 11.420 1.00 0.00 C ATOM 87 NZ LYS A 7 0.205 -0.976 12.384 1.00 0.00 N ATOM 0 H LYS A 7 -2.377 -5.448 11.685 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.950 -4.841 10.376 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.762 -3.215 8.949 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.006 -2.682 10.600 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.428 -4.086 10.181 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.592 -2.623 9.230 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.182 -1.348 11.315 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.979 -2.812 12.257 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.375 -2.967 11.705 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.231 -1.773 10.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.202 -0.706 12.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.400 -0.148 12.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.051 -1.321 13.353 1.00 0.00 H new ATOM 101 N LEU A 8 -3.798 -5.798 8.145 1.00 0.00 N ATOM 102 CA LEU A 8 -3.309 -6.644 7.050 1.00 0.00 C ATOM 103 C LEU A 8 -2.513 -5.839 6.025 1.00 0.00 C ATOM 104 O LEU A 8 -1.733 -6.421 5.272 1.00 0.00 O ATOM 105 CB LEU A 8 -4.491 -7.354 6.366 1.00 0.00 C ATOM 106 CG LEU A 8 -5.399 -8.144 7.324 1.00 0.00 C ATOM 107 CD1 LEU A 8 -6.661 -7.353 7.684 1.00 0.00 C ATOM 108 CD2 LEU A 8 -5.848 -9.462 6.692 1.00 0.00 C ATOM 0 H LEU A 8 -4.502 -5.122 7.849 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.637 -7.388 7.478 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.093 -6.610 5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.101 -8.035 5.610 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.809 -8.332 8.221 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.279 -7.942 8.362 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.379 -6.419 8.169 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.225 -7.135 6.777 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.489 -10.001 7.390 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.402 -9.256 5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.974 -10.070 6.459 1.00 0.00 H new ATOM 120 N TYR A 9 -2.690 -4.516 6.006 1.00 0.00 N ATOM 121 CA TYR A 9 -2.273 -3.651 4.907 1.00 0.00 C ATOM 122 C TYR A 9 -1.709 -2.327 5.438 1.00 0.00 C ATOM 123 O TYR A 9 -2.011 -1.902 6.556 1.00 0.00 O ATOM 124 CB TYR A 9 -3.465 -3.407 3.957 1.00 0.00 C ATOM 125 CG TYR A 9 -4.301 -4.625 3.592 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.697 -5.739 2.983 1.00 0.00 C ATOM 127 CD2 TYR A 9 -5.678 -4.660 3.891 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.449 -6.894 2.699 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.439 -5.813 3.612 1.00 0.00 C ATOM 130 CZ TYR A 9 -5.821 -6.940 3.022 1.00 0.00 C ATOM 131 OH TYR A 9 -6.532 -8.075 2.784 1.00 0.00 O ATOM 0 H TYR A 9 -3.136 -4.009 6.770 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.477 -4.145 4.349 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.121 -2.667 4.416 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.083 -2.967 3.036 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.647 -5.708 2.731 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.153 -3.798 4.336 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.975 -7.746 2.233 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.493 -5.836 3.848 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.130 -7.932 2.021 1.00 0.00 H new ATOM 141 N ARG A 10 -0.896 -1.658 4.623 1.00 0.00 N ATOM 142 CA ARG A 10 -0.218 -0.384 4.912 1.00 0.00 C ATOM 143 C ARG A 10 -0.183 0.473 3.644 1.00 0.00 C ATOM 144 O ARG A 10 -0.086 -0.083 2.555 1.00 0.00 O ATOM 145 CB ARG A 10 1.190 -0.705 5.461 1.00 0.00 C ATOM 146 CG ARG A 10 2.241 0.426 5.487 1.00 0.00 C ATOM 147 CD ARG A 10 1.880 1.538 6.483 1.00 0.00 C ATOM 148 NE ARG A 10 2.861 2.640 6.521 1.00 0.00 N ATOM 149 CZ ARG A 10 2.895 3.623 7.408 1.00 0.00 C ATOM 150 NH1 ARG A 10 2.075 3.712 8.415 1.00 0.00 N ATOM 151 NH2 ARG A 10 3.786 4.562 7.308 1.00 0.00 N ATOM 0 H ARG A 10 -0.677 -2.005 3.689 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.752 0.195 5.666 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.073 -1.074 6.480 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.598 -1.525 4.870 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.213 0.009 5.749 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.336 0.853 4.489 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.902 1.943 6.224 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.792 1.106 7.480 1.00 0.00 H new ATOM 0 HE ARG A 10 3.579 2.645 5.797 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.358 3.000 8.553 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.150 4.493 9.066 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.462 4.544 6.545 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.810 5.318 7.993 1.00 0.00 H new ATOM 165 N VAL A 11 -0.246 1.797 3.771 1.00 0.00 N ATOM 166 CA VAL A 11 -0.052 2.779 2.687 1.00 0.00 C ATOM 167 C VAL A 11 0.686 4.021 3.197 1.00 0.00 C ATOM 168 O VAL A 11 0.537 4.402 4.358 1.00 0.00 O ATOM 169 CB VAL A 11 -1.414 3.139 2.063 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.236 4.109 2.922 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.273 3.777 0.676 1.00 0.00 C ATOM 0 H VAL A 11 -0.442 2.242 4.668 1.00 0.00 H new ATOM 0 HA VAL A 11 0.573 2.336 1.912 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.931 2.182 1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.183 4.321 2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.429 3.659 3.896 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.680 5.037 3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.262 4.011 0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.687 4.693 0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.770 3.081 0.005 1.00 0.00 H new ATOM 181 N GLU A 12 1.486 4.660 2.344 1.00 0.00 N ATOM 182 CA GLU A 12 2.159 5.927 2.637 1.00 0.00 C ATOM 183 C GLU A 12 2.676 6.583 1.359 1.00 0.00 C ATOM 184 O GLU A 12 3.015 5.919 0.374 1.00 0.00 O ATOM 185 CB GLU A 12 3.342 5.727 3.620 1.00 0.00 C ATOM 186 CG GLU A 12 4.462 4.831 3.066 1.00 0.00 C ATOM 187 CD GLU A 12 5.674 4.721 4.003 1.00 0.00 C ATOM 188 OE1 GLU A 12 5.485 4.372 5.191 1.00 0.00 O ATOM 189 OE2 GLU A 12 6.817 4.941 3.534 1.00 0.00 O ATOM 0 H GLU A 12 1.689 4.304 1.410 1.00 0.00 H new ATOM 0 HA GLU A 12 1.419 6.578 3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.760 6.701 3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.964 5.291 4.545 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.062 3.834 2.882 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.790 5.225 2.104 1.00 0.00 H new ATOM 196 N TYR A 13 2.834 7.899 1.429 1.00 0.00 N ATOM 197 CA TYR A 13 3.848 8.585 0.639 1.00 0.00 C ATOM 198 C TYR A 13 5.240 8.274 1.205 1.00 0.00 C ATOM 199 O TYR A 13 5.465 8.372 2.415 1.00 0.00 O ATOM 200 CB TYR A 13 3.567 10.085 0.661 1.00 0.00 C ATOM 201 CG TYR A 13 2.137 10.456 0.321 1.00 0.00 C ATOM 202 CD1 TYR A 13 1.564 10.027 -0.890 1.00 0.00 C ATOM 203 CD2 TYR A 13 1.383 11.226 1.224 1.00 0.00 C ATOM 204 CE1 TYR A 13 0.281 10.477 -1.259 1.00 0.00 C ATOM 205 CE2 TYR A 13 0.103 11.682 0.861 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.442 11.325 -0.392 1.00 0.00 C ATOM 207 OH TYR A 13 -1.674 11.779 -0.738 1.00 0.00 O ATOM 0 H TYR A 13 2.275 8.511 2.023 1.00 0.00 H new ATOM 0 HA TYR A 13 3.818 8.240 -0.394 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.805 10.473 1.651 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.236 10.579 -0.044 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.107 9.353 -1.536 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.787 11.467 2.196 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.148 10.174 -2.203 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.462 12.304 1.539 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.874 11.512 -1.659 1.00 0.00 H new ATOM 217 N ALA A 14 6.178 7.898 0.340 1.00 0.00 N ATOM 218 CA ALA A 14 7.519 7.472 0.720 1.00 0.00 C ATOM 219 C ALA A 14 8.341 8.618 1.337 1.00 0.00 C ATOM 220 O ALA A 14 8.835 9.497 0.623 1.00 0.00 O ATOM 221 CB ALA A 14 8.187 6.900 -0.532 1.00 0.00 C ATOM 0 H ALA A 14 6.022 7.881 -0.668 1.00 0.00 H new ATOM 0 HA ALA A 14 7.461 6.711 1.498 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.196 6.569 -0.287 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.607 6.054 -0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.234 7.669 -1.303 1.00 0.00 H new ATOM 227 N LYS A 15 8.535 8.584 2.662 1.00 0.00 N ATOM 228 CA LYS A 15 9.359 9.556 3.405 1.00 0.00 C ATOM 229 C LYS A 15 10.846 9.439 3.046 1.00 0.00 C ATOM 230 O LYS A 15 11.557 10.444 3.020 1.00 0.00 O ATOM 231 CB LYS A 15 9.105 9.350 4.912 1.00 0.00 C ATOM 232 CG LYS A 15 9.790 10.368 5.842 1.00 0.00 C ATOM 233 CD LYS A 15 9.305 11.810 5.633 1.00 0.00 C ATOM 234 CE LYS A 15 9.928 12.730 6.690 1.00 0.00 C ATOM 235 NZ LYS A 15 9.451 14.131 6.550 1.00 0.00 N ATOM 0 H LYS A 15 8.119 7.870 3.260 1.00 0.00 H new ATOM 0 HA LYS A 15 9.072 10.570 3.125 1.00 0.00 H new ATOM 0 HB2 LYS A 15 8.030 9.386 5.090 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.440 8.350 5.186 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.612 10.079 6.878 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.867 10.328 5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.577 12.153 4.635 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.218 11.850 5.699 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.682 12.360 7.685 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.014 12.705 6.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.894 14.723 7.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.708 14.493 5.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.417 14.159 6.661 1.00 0.00 H new ATOM 249 N SER A 16 11.298 8.229 2.722 1.00 0.00 N ATOM 250 CA SER A 16 12.662 7.892 2.294 1.00 0.00 C ATOM 251 C SER A 16 12.672 6.645 1.397 1.00 0.00 C ATOM 252 O SER A 16 11.737 5.838 1.421 1.00 0.00 O ATOM 253 CB SER A 16 13.545 7.675 3.532 1.00 0.00 C ATOM 254 OG SER A 16 13.057 6.598 4.317 1.00 0.00 O ATOM 0 H SER A 16 10.692 7.409 2.751 1.00 0.00 H new ATOM 0 HA SER A 16 13.059 8.720 1.707 1.00 0.00 H new ATOM 0 HB2 SER A 16 14.570 7.470 3.222 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.569 8.585 4.131 1.00 0.00 H new ATOM 0 HG SER A 16 13.634 6.476 5.099 1.00 0.00 H new ATOM 260 N GLY A 17 13.732 6.456 0.606 1.00 0.00 N ATOM 261 CA GLY A 17 13.910 5.330 -0.329 1.00 0.00 C ATOM 262 C GLY A 17 14.333 4.000 0.319 1.00 0.00 C ATOM 263 O GLY A 17 15.102 3.244 -0.278 1.00 0.00 O ATOM 0 H GLY A 17 14.520 7.103 0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 17 12.974 5.173 -0.865 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.659 5.609 -1.070 1.00 0.00 H new ATOM 267 N ARG A 18 13.897 3.730 1.559 1.00 0.00 N ATOM 268 CA ARG A 18 14.353 2.604 2.405 1.00 0.00 C ATOM 269 C ARG A 18 13.542 1.303 2.259 1.00 0.00 C ATOM 270 O ARG A 18 13.859 0.318 2.928 1.00 0.00 O ATOM 271 CB ARG A 18 14.431 3.071 3.875 1.00 0.00 C ATOM 272 CG ARG A 18 15.455 4.191 4.137 1.00 0.00 C ATOM 273 CD ARG A 18 16.907 3.747 3.900 1.00 0.00 C ATOM 274 NE ARG A 18 17.866 4.813 4.255 1.00 0.00 N ATOM 275 CZ ARG A 18 18.384 5.065 5.447 1.00 0.00 C ATOM 276 NH1 ARG A 18 18.079 4.366 6.504 1.00 0.00 N ATOM 277 NH2 ARG A 18 19.233 6.039 5.600 1.00 0.00 N ATOM 0 H ARG A 18 13.193 4.306 2.021 1.00 0.00 H new ATOM 0 HA ARG A 18 15.344 2.328 2.044 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.445 3.418 4.185 1.00 0.00 H new ATOM 0 HB3 ARG A 18 14.680 2.215 4.502 1.00 0.00 H new ATOM 0 HG2 ARG A 18 15.230 5.039 3.490 1.00 0.00 H new ATOM 0 HG3 ARG A 18 15.350 4.538 5.165 1.00 0.00 H new ATOM 0 HD2 ARG A 18 17.117 2.856 4.492 1.00 0.00 H new ATOM 0 HD3 ARG A 18 17.038 3.473 2.853 1.00 0.00 H new ATOM 0 HE ARG A 18 18.163 5.425 3.495 1.00 0.00 H new ATOM 0 HH11 ARG A 18 17.419 3.592 6.431 1.00 0.00 H new ATOM 0 HH12 ARG A 18 18.501 4.593 7.405 1.00 0.00 H new ATOM 0 HH21 ARG A 18 19.502 6.612 4.800 1.00 0.00 H new ATOM 0 HH22 ARG A 18 19.630 6.230 6.520 1.00 0.00 H new ATOM 291 N ALA A 19 12.528 1.276 1.391 1.00 0.00 N ATOM 292 CA ALA A 19 11.719 0.092 1.077 1.00 0.00 C ATOM 293 C ALA A 19 11.891 -0.353 -0.389 1.00 0.00 C ATOM 294 O ALA A 19 12.107 0.477 -1.277 1.00 0.00 O ATOM 295 CB ALA A 19 10.253 0.379 1.418 1.00 0.00 C ATOM 0 H ALA A 19 12.237 2.103 0.870 1.00 0.00 H new ATOM 0 HA ALA A 19 12.067 -0.742 1.686 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.647 -0.497 1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.165 0.611 2.479 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.902 1.228 0.831 1.00 0.00 H new ATOM 301 N SER A 20 11.741 -1.657 -0.646 1.00 0.00 N ATOM 302 CA SER A 20 11.903 -2.262 -1.976 1.00 0.00 C ATOM 303 C SER A 20 10.772 -3.240 -2.290 1.00 0.00 C ATOM 304 O SER A 20 10.182 -3.833 -1.384 1.00 0.00 O ATOM 305 CB SER A 20 13.266 -2.952 -2.110 1.00 0.00 C ATOM 306 OG SER A 20 14.307 -1.988 -2.085 1.00 0.00 O ATOM 0 H SER A 20 11.499 -2.335 0.076 1.00 0.00 H new ATOM 0 HA SER A 20 11.857 -1.453 -2.705 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.402 -3.666 -1.298 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.306 -3.517 -3.041 1.00 0.00 H new ATOM 0 HG SER A 20 15.173 -2.439 -2.170 1.00 0.00 H new ATOM 312 N CYS A 21 10.462 -3.382 -3.579 1.00 0.00 N ATOM 313 CA CYS A 21 9.269 -4.062 -4.064 1.00 0.00 C ATOM 314 C CYS A 21 9.450 -5.583 -4.071 1.00 0.00 C ATOM 315 O CYS A 21 10.334 -6.128 -4.740 1.00 0.00 O ATOM 316 CB CYS A 21 8.954 -3.493 -5.442 1.00 0.00 C ATOM 317 SG CYS A 21 7.356 -4.103 -6.086 1.00 0.00 S ATOM 0 H CYS A 21 11.049 -3.018 -4.329 1.00 0.00 H new ATOM 0 HA CYS A 21 8.424 -3.886 -3.398 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.931 -2.405 -5.388 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.751 -3.761 -6.136 1.00 0.00 H new ATOM 322 N LYS A 22 8.579 -6.279 -3.338 1.00 0.00 N ATOM 323 CA LYS A 22 8.576 -7.748 -3.241 1.00 0.00 C ATOM 324 C LYS A 22 7.976 -8.429 -4.480 1.00 0.00 C ATOM 325 O LYS A 22 8.095 -9.648 -4.617 1.00 0.00 O ATOM 326 CB LYS A 22 7.809 -8.174 -1.977 1.00 0.00 C ATOM 327 CG LYS A 22 8.247 -7.482 -0.676 1.00 0.00 C ATOM 328 CD LYS A 22 9.651 -7.854 -0.189 1.00 0.00 C ATOM 329 CE LYS A 22 9.754 -9.339 0.186 1.00 0.00 C ATOM 330 NZ LYS A 22 11.098 -9.676 0.726 1.00 0.00 N ATOM 0 H LYS A 22 7.844 -5.836 -2.786 1.00 0.00 H new ATOM 0 HA LYS A 22 9.615 -8.073 -3.181 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.748 -7.979 -2.133 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.920 -9.251 -1.851 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.203 -6.403 -0.823 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.530 -7.726 0.108 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.378 -7.626 -0.969 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.909 -7.243 0.676 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.992 -9.581 0.927 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.550 -9.952 -0.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.131 -10.687 0.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.822 -9.468 0.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.282 -9.109 1.578 1.00 0.00 H new ATOM 344 N LYS A 23 7.315 -7.661 -5.359 1.00 0.00 N ATOM 345 CA LYS A 23 6.523 -8.173 -6.494 1.00 0.00 C ATOM 346 C LYS A 23 7.224 -8.026 -7.850 1.00 0.00 C ATOM 347 O LYS A 23 7.276 -9.010 -8.592 1.00 0.00 O ATOM 348 CB LYS A 23 5.123 -7.531 -6.466 1.00 0.00 C ATOM 349 CG LYS A 23 4.172 -7.996 -7.583 1.00 0.00 C ATOM 350 CD LYS A 23 3.929 -9.515 -7.597 1.00 0.00 C ATOM 351 CE LYS A 23 2.956 -9.868 -8.724 1.00 0.00 C ATOM 352 NZ LYS A 23 2.718 -11.334 -8.819 1.00 0.00 N ATOM 0 H LYS A 23 7.315 -6.643 -5.302 1.00 0.00 H new ATOM 0 HA LYS A 23 6.416 -9.251 -6.372 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.660 -7.746 -5.503 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.235 -6.449 -6.532 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.216 -7.485 -7.470 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.583 -7.694 -8.546 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.872 -10.043 -7.738 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.523 -9.838 -6.638 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.008 -9.357 -8.557 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.352 -9.503 -9.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.053 -11.528 -9.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.618 -11.821 -9.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.316 -11.679 -7.924 1.00 0.00 H new ATOM 366 N CYS A 24 7.779 -6.848 -8.164 1.00 0.00 N ATOM 367 CA CYS A 24 8.544 -6.606 -9.401 1.00 0.00 C ATOM 368 C CYS A 24 10.081 -6.528 -9.202 1.00 0.00 C ATOM 369 O CYS A 24 10.832 -6.381 -10.171 1.00 0.00 O ATOM 370 CB CYS A 24 7.915 -5.460 -10.216 1.00 0.00 C ATOM 371 SG CYS A 24 8.314 -3.783 -9.592 1.00 0.00 S ATOM 0 H CYS A 24 7.711 -6.027 -7.563 1.00 0.00 H new ATOM 0 HA CYS A 24 8.454 -7.498 -10.021 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.250 -5.539 -11.250 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.832 -5.585 -10.221 1.00 0.00 H new ATOM 376 N SER A 25 10.552 -6.718 -7.961 1.00 0.00 N ATOM 377 CA SER A 25 11.971 -6.825 -7.567 1.00 0.00 C ATOM 378 C SER A 25 12.835 -5.577 -7.836 1.00 0.00 C ATOM 379 O SER A 25 14.066 -5.655 -7.855 1.00 0.00 O ATOM 380 CB SER A 25 12.612 -8.114 -8.109 1.00 0.00 C ATOM 381 OG SER A 25 11.857 -9.259 -7.730 1.00 0.00 O ATOM 0 H SER A 25 9.924 -6.806 -7.162 1.00 0.00 H new ATOM 0 HA SER A 25 11.949 -6.885 -6.479 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.679 -8.062 -9.196 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.630 -8.204 -7.731 1.00 0.00 H new ATOM 0 HG SER A 25 12.284 -10.065 -8.088 1.00 0.00 H new ATOM 387 N GLU A 26 12.207 -4.410 -8.008 1.00 0.00 N ATOM 388 CA GLU A 26 12.861 -3.092 -8.020 1.00 0.00 C ATOM 389 C GLU A 26 12.783 -2.434 -6.623 1.00 0.00 C ATOM 390 O GLU A 26 12.362 -3.062 -5.651 1.00 0.00 O ATOM 391 CB GLU A 26 12.235 -2.212 -9.122 1.00 0.00 C ATOM 392 CG GLU A 26 12.391 -2.773 -10.547 1.00 0.00 C ATOM 393 CD GLU A 26 13.860 -3.012 -10.960 1.00 0.00 C ATOM 394 OE1 GLU A 26 14.728 -2.148 -10.690 1.00 0.00 O ATOM 395 OE2 GLU A 26 14.156 -4.055 -11.593 1.00 0.00 O ATOM 0 H GLU A 26 11.198 -4.351 -8.147 1.00 0.00 H new ATOM 0 HA GLU A 26 13.919 -3.210 -8.252 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.174 -2.084 -8.909 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.690 -1.222 -9.082 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.844 -3.713 -10.620 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.932 -2.081 -11.253 1.00 0.00 H new ATOM 402 N SER A 27 13.187 -1.170 -6.494 1.00 0.00 N ATOM 403 CA SER A 27 13.142 -0.396 -5.251 1.00 0.00 C ATOM 404 C SER A 27 12.142 0.756 -5.347 1.00 0.00 C ATOM 405 O SER A 27 11.759 1.175 -6.446 1.00 0.00 O ATOM 406 CB SER A 27 14.543 0.073 -4.880 1.00 0.00 C ATOM 407 OG SER A 27 14.590 0.539 -3.545 1.00 0.00 O ATOM 0 H SER A 27 13.567 -0.638 -7.277 1.00 0.00 H new ATOM 0 HA SER A 27 12.785 -1.039 -4.446 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.249 -0.747 -5.007 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.854 0.869 -5.557 1.00 0.00 H new ATOM 0 HG SER A 27 14.503 -0.219 -2.931 1.00 0.00 H new ATOM 413 N ILE A 28 11.651 1.226 -4.199 1.00 0.00 N ATOM 414 CA ILE A 28 10.510 2.142 -4.122 1.00 0.00 C ATOM 415 C ILE A 28 10.999 3.538 -3.681 1.00 0.00 C ATOM 416 O ILE A 28 11.337 3.711 -2.505 1.00 0.00 O ATOM 417 CB ILE A 28 9.421 1.568 -3.184 1.00 0.00 C ATOM 418 CG1 ILE A 28 9.027 0.100 -3.493 1.00 0.00 C ATOM 419 CG2 ILE A 28 8.170 2.456 -3.291 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.260 -0.575 -2.348 1.00 0.00 C ATOM 0 H ILE A 28 12.037 0.980 -3.288 1.00 0.00 H new ATOM 0 HA ILE A 28 10.051 2.249 -5.105 1.00 0.00 H new ATOM 0 HB ILE A 28 9.840 1.566 -2.178 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.415 0.077 -4.395 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.929 -0.474 -3.705 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.390 2.067 -2.636 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.420 3.474 -2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.812 2.457 -4.320 1.00 0.00 H new ATOM 0 HD11 ILE A 28 8.015 -1.599 -2.629 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.879 -0.583 -1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.341 -0.023 -2.150 1.00 0.00 H new ATOM 432 N PRO A 29 11.043 4.544 -4.576 1.00 0.00 N ATOM 433 CA PRO A 29 11.715 5.821 -4.325 1.00 0.00 C ATOM 434 C PRO A 29 10.958 6.744 -3.360 1.00 0.00 C ATOM 435 O PRO A 29 9.737 6.661 -3.216 1.00 0.00 O ATOM 436 CB PRO A 29 11.883 6.475 -5.703 1.00 0.00 C ATOM 437 CG PRO A 29 10.702 5.922 -6.495 1.00 0.00 C ATOM 438 CD PRO A 29 10.578 4.499 -5.955 1.00 0.00 C ATOM 0 HA PRO A 29 12.668 5.645 -3.826 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.852 7.563 -5.639 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.836 6.210 -6.162 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.794 6.501 -6.326 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.892 5.933 -7.568 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.546 4.152 -6.006 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.177 3.805 -6.545 1.00 0.00 H new ATOM 446 N LYS A 30 11.705 7.671 -2.745 1.00 0.00 N ATOM 447 CA LYS A 30 11.196 8.824 -1.979 1.00 0.00 C ATOM 448 C LYS A 30 10.199 9.652 -2.812 1.00 0.00 C ATOM 449 O LYS A 30 10.350 9.777 -4.028 1.00 0.00 O ATOM 450 CB LYS A 30 12.411 9.669 -1.546 1.00 0.00 C ATOM 451 CG LYS A 30 12.086 10.847 -0.613 1.00 0.00 C ATOM 452 CD LYS A 30 13.355 11.670 -0.335 1.00 0.00 C ATOM 453 CE LYS A 30 13.076 12.903 0.536 1.00 0.00 C ATOM 454 NZ LYS A 30 13.062 12.587 1.988 1.00 0.00 N ATOM 0 H LYS A 30 12.724 7.639 -2.767 1.00 0.00 H new ATOM 0 HA LYS A 30 10.648 8.482 -1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.128 9.017 -1.047 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.901 10.057 -2.439 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.325 11.481 -1.068 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.673 10.475 0.324 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.093 11.039 0.160 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.792 11.989 -1.281 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.835 13.660 0.340 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.116 13.333 0.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.721 13.413 2.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.430 11.779 2.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.025 12.347 2.300 1.00 0.00 H new ATOM 468 N ASP A 31 9.203 10.244 -2.148 1.00 0.00 N ATOM 469 CA ASP A 31 8.149 11.079 -2.749 1.00 0.00 C ATOM 470 C ASP A 31 7.334 10.370 -3.862 1.00 0.00 C ATOM 471 O ASP A 31 6.964 10.964 -4.878 1.00 0.00 O ATOM 472 CB ASP A 31 8.721 12.459 -3.131 1.00 0.00 C ATOM 473 CG ASP A 31 7.635 13.506 -3.446 1.00 0.00 C ATOM 474 OD1 ASP A 31 6.637 13.599 -2.689 1.00 0.00 O ATOM 475 OD2 ASP A 31 7.803 14.283 -4.418 1.00 0.00 O ATOM 0 H ASP A 31 9.101 10.154 -1.137 1.00 0.00 H new ATOM 0 HA ASP A 31 7.386 11.255 -1.991 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.342 12.825 -2.314 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.370 12.347 -3.999 1.00 0.00 H new ATOM 480 N SER A 32 7.047 9.081 -3.654 1.00 0.00 N ATOM 481 CA SER A 32 6.132 8.252 -4.454 1.00 0.00 C ATOM 482 C SER A 32 5.186 7.468 -3.531 1.00 0.00 C ATOM 483 O SER A 32 5.457 7.330 -2.336 1.00 0.00 O ATOM 484 CB SER A 32 6.929 7.315 -5.371 1.00 0.00 C ATOM 485 OG SER A 32 6.066 6.734 -6.330 1.00 0.00 O ATOM 0 H SER A 32 7.466 8.559 -2.885 1.00 0.00 H new ATOM 0 HA SER A 32 5.523 8.897 -5.087 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.723 7.870 -5.871 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.409 6.535 -4.780 1.00 0.00 H new ATOM 0 HG SER A 32 6.578 6.131 -6.908 1.00 0.00 H new ATOM 491 N LEU A 33 4.059 6.976 -4.046 1.00 0.00 N ATOM 492 CA LEU A 33 3.045 6.257 -3.268 1.00 0.00 C ATOM 493 C LEU A 33 3.380 4.757 -3.190 1.00 0.00 C ATOM 494 O LEU A 33 3.644 4.115 -4.213 1.00 0.00 O ATOM 495 CB LEU A 33 1.663 6.535 -3.889 1.00 0.00 C ATOM 496 CG LEU A 33 0.480 5.934 -3.107 1.00 0.00 C ATOM 497 CD1 LEU A 33 0.232 6.621 -1.768 1.00 0.00 C ATOM 498 CD2 LEU A 33 -0.803 6.081 -3.920 1.00 0.00 C ATOM 0 H LEU A 33 3.819 7.067 -5.033 1.00 0.00 H new ATOM 0 HA LEU A 33 3.031 6.612 -2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.522 7.613 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.649 6.140 -4.905 1.00 0.00 H new ATOM 0 HG LEU A 33 0.742 4.891 -2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.614 6.150 -1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.120 6.529 -1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.013 7.676 -1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.637 5.655 -3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.995 7.137 -4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.694 5.556 -4.869 1.00 0.00 H new ATOM 510 N ARG A 34 3.337 4.187 -1.982 1.00 0.00 N ATOM 511 CA ARG A 34 3.667 2.782 -1.700 1.00 0.00 C ATOM 512 C ARG A 34 2.665 2.150 -0.741 1.00 0.00 C ATOM 513 O ARG A 34 1.996 2.844 0.022 1.00 0.00 O ATOM 514 CB ARG A 34 5.127 2.663 -1.218 1.00 0.00 C ATOM 515 CG ARG A 34 5.428 3.260 0.166 1.00 0.00 C ATOM 516 CD ARG A 34 6.743 2.747 0.783 1.00 0.00 C ATOM 517 NE ARG A 34 7.960 3.248 0.110 1.00 0.00 N ATOM 518 CZ ARG A 34 8.980 3.876 0.674 1.00 0.00 C ATOM 519 NH1 ARG A 34 8.963 4.354 1.884 1.00 0.00 N ATOM 520 NH2 ARG A 34 10.090 4.066 0.024 1.00 0.00 N ATOM 0 H ARG A 34 3.064 4.704 -1.146 1.00 0.00 H new ATOM 0 HA ARG A 34 3.587 2.210 -2.625 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.400 1.608 -1.204 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.772 3.149 -1.950 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.474 4.346 0.082 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.604 3.027 0.841 1.00 0.00 H new ATOM 0 HD2 ARG A 34 6.776 3.036 1.833 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.746 1.657 0.752 1.00 0.00 H new ATOM 0 HE ARG A 34 8.020 3.093 -0.896 1.00 0.00 H new ATOM 0 HH11 ARG A 34 8.127 4.255 2.460 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.786 4.828 2.257 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.184 3.729 -0.934 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.867 4.552 0.472 1.00 0.00 H new ATOM 534 N MET A 35 2.586 0.826 -0.779 1.00 0.00 N ATOM 535 CA MET A 35 1.759 -0.010 0.090 1.00 0.00 C ATOM 536 C MET A 35 2.573 -1.168 0.666 1.00 0.00 C ATOM 537 O MET A 35 3.639 -1.499 0.155 1.00 0.00 O ATOM 538 CB MET A 35 0.507 -0.510 -0.657 1.00 0.00 C ATOM 539 CG MET A 35 -0.516 0.610 -0.873 1.00 0.00 C ATOM 540 SD MET A 35 -2.087 0.140 -1.658 1.00 0.00 S ATOM 541 CE MET A 35 -2.903 -0.712 -0.277 1.00 0.00 C ATOM 0 H MET A 35 3.123 0.276 -1.449 1.00 0.00 H new ATOM 0 HA MET A 35 1.418 0.599 0.927 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.801 -0.924 -1.622 1.00 0.00 H new ATOM 0 HB3 MET A 35 0.045 -1.319 -0.091 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.740 1.058 0.095 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.049 1.384 -1.482 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.469 -1.563 -0.657 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.151 -1.063 0.429 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.580 -0.022 0.227 1.00 0.00 H new ATOM 551 N ALA A 36 2.099 -1.765 1.754 1.00 0.00 N ATOM 552 CA ALA A 36 2.721 -2.928 2.385 1.00 0.00 C ATOM 553 C ALA A 36 1.671 -3.936 2.877 1.00 0.00 C ATOM 554 O ALA A 36 0.491 -3.596 3.002 1.00 0.00 O ATOM 555 CB ALA A 36 3.672 -2.468 3.502 1.00 0.00 C ATOM 0 H ALA A 36 1.255 -1.450 2.233 1.00 0.00 H new ATOM 0 HA ALA A 36 3.314 -3.459 1.640 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.133 -3.338 3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.448 -1.830 3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.110 -1.909 4.251 1.00 0.00 H new ATOM 561 N ILE A 37 2.100 -5.163 3.180 1.00 0.00 N ATOM 562 CA ILE A 37 1.251 -6.236 3.715 1.00 0.00 C ATOM 563 C ILE A 37 1.825 -6.790 5.008 1.00 0.00 C ATOM 564 O ILE A 37 3.033 -6.967 5.126 1.00 0.00 O ATOM 565 CB ILE A 37 1.039 -7.325 2.641 1.00 0.00 C ATOM 566 CG1 ILE A 37 -0.296 -7.025 1.944 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.061 -8.764 3.173 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.513 -7.792 0.640 1.00 0.00 C ATOM 0 H ILE A 37 3.072 -5.448 3.058 1.00 0.00 H new ATOM 0 HA ILE A 37 0.271 -5.829 3.965 1.00 0.00 H new ATOM 0 HB ILE A 37 1.881 -7.281 1.951 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.111 -7.260 2.629 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.352 -5.956 1.737 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.904 -9.459 2.348 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.026 -8.965 3.639 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.269 -8.891 3.911 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.479 -7.521 0.215 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.278 -7.540 -0.066 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.493 -8.863 0.840 1.00 0.00 H new ATOM 580 N MET A 38 0.956 -7.100 5.964 1.00 0.00 N ATOM 581 CA MET A 38 1.336 -7.592 7.282 1.00 0.00 C ATOM 582 C MET A 38 1.311 -9.121 7.303 1.00 0.00 C ATOM 583 O MET A 38 0.246 -9.729 7.420 1.00 0.00 O ATOM 584 CB MET A 38 0.399 -6.976 8.337 1.00 0.00 C ATOM 585 CG MET A 38 0.271 -5.445 8.290 1.00 0.00 C ATOM 586 SD MET A 38 1.399 -4.515 9.363 1.00 0.00 S ATOM 587 CE MET A 38 2.968 -5.058 8.658 1.00 0.00 C ATOM 0 H MET A 38 -0.053 -7.014 5.841 1.00 0.00 H new ATOM 0 HA MET A 38 2.356 -7.290 7.519 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.593 -7.411 8.215 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.754 -7.264 9.326 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.429 -5.119 7.262 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.752 -5.178 8.555 1.00 0.00 H new ATOM 0 HE1 MET A 38 3.742 -4.324 8.883 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.246 -6.021 9.087 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.866 -5.158 7.577 1.00 0.00 H new ATOM 597 N VAL A 39 2.489 -9.745 7.231 1.00 0.00 N ATOM 598 CA VAL A 39 2.649 -11.208 7.360 1.00 0.00 C ATOM 599 C VAL A 39 3.215 -11.580 8.729 1.00 0.00 C ATOM 600 O VAL A 39 4.107 -10.915 9.250 1.00 0.00 O ATOM 601 CB VAL A 39 3.449 -11.810 6.189 1.00 0.00 C ATOM 602 CG1 VAL A 39 4.859 -11.235 6.058 1.00 0.00 C ATOM 603 CG2 VAL A 39 3.540 -13.339 6.268 1.00 0.00 C ATOM 0 H VAL A 39 3.369 -9.252 7.081 1.00 0.00 H new ATOM 0 HA VAL A 39 1.659 -11.659 7.298 1.00 0.00 H new ATOM 0 HB VAL A 39 2.883 -11.529 5.301 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.366 -11.703 5.214 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.799 -10.159 5.894 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.419 -11.432 6.972 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.114 -13.714 5.420 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.034 -13.627 7.196 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.537 -13.765 6.244 1.00 0.00 H new ATOM 613 N GLN A 40 2.681 -12.639 9.333 1.00 0.00 N ATOM 614 CA GLN A 40 3.112 -13.152 10.637 1.00 0.00 C ATOM 615 C GLN A 40 4.530 -13.744 10.564 1.00 0.00 C ATOM 616 O GLN A 40 4.812 -14.608 9.730 1.00 0.00 O ATOM 617 CB GLN A 40 2.075 -14.147 11.194 1.00 0.00 C ATOM 618 CG GLN A 40 1.486 -15.114 10.144 1.00 0.00 C ATOM 619 CD GLN A 40 0.592 -16.207 10.742 1.00 0.00 C ATOM 620 OE1 GLN A 40 0.311 -16.268 11.933 1.00 0.00 O ATOM 621 NE2 GLN A 40 0.101 -17.120 9.929 1.00 0.00 N ATOM 0 H GLN A 40 1.919 -13.179 8.922 1.00 0.00 H new ATOM 0 HA GLN A 40 3.167 -12.321 11.340 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.541 -14.732 11.987 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.260 -13.585 11.650 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.908 -14.541 9.420 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.304 -15.585 9.598 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.322 -17.088 8.934 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.500 -17.858 10.295 1.00 0.00 H new ATOM 630 N SER A 41 5.429 -13.267 11.429 1.00 0.00 N ATOM 631 CA SER A 41 6.853 -13.616 11.401 1.00 0.00 C ATOM 632 C SER A 41 7.208 -14.784 12.326 1.00 0.00 C ATOM 633 O SER A 41 6.802 -14.787 13.492 1.00 0.00 O ATOM 634 CB SER A 41 7.697 -12.395 11.755 1.00 0.00 C ATOM 635 OG SER A 41 9.076 -12.735 11.733 1.00 0.00 O ATOM 0 H SER A 41 5.186 -12.619 12.178 1.00 0.00 H new ATOM 0 HA SER A 41 7.074 -13.943 10.385 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.501 -11.590 11.047 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.421 -12.026 12.743 1.00 0.00 H new ATOM 0 HG SER A 41 9.229 -13.439 11.069 1.00 0.00 H new ATOM 641 N PRO A 42 8.038 -15.738 11.859 1.00 0.00 N ATOM 642 CA PRO A 42 8.661 -16.730 12.725 1.00 0.00 C ATOM 643 C PRO A 42 9.741 -16.162 13.667 1.00 0.00 C ATOM 644 O PRO A 42 10.135 -16.840 14.620 1.00 0.00 O ATOM 645 CB PRO A 42 9.253 -17.794 11.789 1.00 0.00 C ATOM 646 CG PRO A 42 8.501 -17.600 10.474 1.00 0.00 C ATOM 647 CD PRO A 42 8.232 -16.100 10.462 1.00 0.00 C ATOM 0 HA PRO A 42 7.910 -17.137 13.402 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.326 -17.656 11.658 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.107 -18.799 12.186 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.097 -17.912 9.616 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.577 -18.178 10.447 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.068 -15.553 10.026 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.350 -15.862 9.867 1.00 0.00 H new ATOM 655 N MET A 43 10.245 -14.946 13.402 1.00 0.00 N ATOM 656 CA MET A 43 11.398 -14.335 14.093 1.00 0.00 C ATOM 657 C MET A 43 11.046 -13.091 14.933 1.00 0.00 C ATOM 658 O MET A 43 11.776 -12.764 15.871 1.00 0.00 O ATOM 659 CB MET A 43 12.476 -13.981 13.058 1.00 0.00 C ATOM 660 CG MET A 43 13.138 -15.232 12.462 1.00 0.00 C ATOM 661 SD MET A 43 13.608 -15.075 10.720 1.00 0.00 S ATOM 662 CE MET A 43 11.948 -15.172 9.998 1.00 0.00 C ATOM 0 H MET A 43 9.852 -14.341 12.681 1.00 0.00 H new ATOM 0 HA MET A 43 11.763 -15.077 14.803 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.029 -13.391 12.257 1.00 0.00 H new ATOM 0 HB3 MET A 43 13.237 -13.357 13.527 1.00 0.00 H new ATOM 0 HG2 MET A 43 14.028 -15.470 13.045 1.00 0.00 H new ATOM 0 HG3 MET A 43 12.454 -16.074 12.566 1.00 0.00 H new ATOM 0 HE1 MET A 43 12.021 -15.501 8.961 1.00 0.00 H new ATOM 0 HE2 MET A 43 11.347 -15.884 10.563 1.00 0.00 H new ATOM 0 HE3 MET A 43 11.477 -14.190 10.035 1.00 0.00 H new ATOM 672 N PHE A 44 9.942 -12.404 14.619 1.00 0.00 N ATOM 673 CA PHE A 44 9.452 -11.204 15.309 1.00 0.00 C ATOM 674 C PHE A 44 8.154 -11.486 16.089 1.00 0.00 C ATOM 675 O PHE A 44 7.387 -12.391 15.757 1.00 0.00 O ATOM 676 CB PHE A 44 9.311 -10.057 14.292 1.00 0.00 C ATOM 677 CG PHE A 44 8.721 -8.774 14.848 1.00 0.00 C ATOM 678 CD1 PHE A 44 9.499 -7.929 15.663 1.00 0.00 C ATOM 679 CD2 PHE A 44 7.383 -8.434 14.569 1.00 0.00 C ATOM 680 CE1 PHE A 44 8.940 -6.754 16.198 1.00 0.00 C ATOM 681 CE2 PHE A 44 6.824 -7.259 15.102 1.00 0.00 C ATOM 682 CZ PHE A 44 7.602 -6.420 15.919 1.00 0.00 C ATOM 0 H PHE A 44 9.339 -12.680 13.844 1.00 0.00 H new ATOM 0 HA PHE A 44 10.177 -10.896 16.062 1.00 0.00 H new ATOM 0 HB2 PHE A 44 10.295 -9.837 13.877 1.00 0.00 H new ATOM 0 HB3 PHE A 44 8.686 -10.398 13.467 1.00 0.00 H new ATOM 0 HD1 PHE A 44 10.526 -8.183 15.878 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.784 -9.079 13.943 1.00 0.00 H new ATOM 0 HE1 PHE A 44 9.538 -6.108 16.823 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.798 -7.001 14.884 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.173 -5.519 16.332 1.00 0.00 H new ATOM 692 N ASP A 45 7.895 -10.696 17.133 1.00 0.00 N ATOM 693 CA ASP A 45 6.786 -10.871 18.089 1.00 0.00 C ATOM 694 C ASP A 45 5.454 -10.265 17.583 1.00 0.00 C ATOM 695 O ASP A 45 4.773 -9.508 18.282 1.00 0.00 O ATOM 696 CB ASP A 45 7.233 -10.349 19.466 1.00 0.00 C ATOM 697 CG ASP A 45 6.249 -10.701 20.600 1.00 0.00 C ATOM 698 OD1 ASP A 45 5.730 -11.845 20.631 1.00 0.00 O ATOM 699 OD2 ASP A 45 6.033 -9.854 21.501 1.00 0.00 O ATOM 0 H ASP A 45 8.472 -9.883 17.349 1.00 0.00 H new ATOM 0 HA ASP A 45 6.558 -11.932 18.189 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.213 -10.763 19.703 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.348 -9.266 19.417 1.00 0.00 H new ATOM 704 N GLY A 46 5.104 -10.561 16.329 1.00 0.00 N ATOM 705 CA GLY A 46 3.946 -10.019 15.616 1.00 0.00 C ATOM 706 C GLY A 46 4.099 -10.140 14.100 1.00 0.00 C ATOM 707 O GLY A 46 4.728 -11.079 13.597 1.00 0.00 O ATOM 0 H GLY A 46 5.643 -11.213 15.759 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.046 -10.546 15.933 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.813 -8.971 15.884 1.00 0.00 H new ATOM 711 N LYS A 47 3.522 -9.183 13.366 1.00 0.00 N ATOM 712 CA LYS A 47 3.507 -9.168 11.897 1.00 0.00 C ATOM 713 C LYS A 47 4.397 -8.070 11.318 1.00 0.00 C ATOM 714 O LYS A 47 4.556 -7.003 11.910 1.00 0.00 O ATOM 715 CB LYS A 47 2.067 -9.120 11.358 1.00 0.00 C ATOM 716 CG LYS A 47 1.145 -10.122 12.078 1.00 0.00 C ATOM 717 CD LYS A 47 0.089 -10.741 11.160 1.00 0.00 C ATOM 718 CE LYS A 47 -0.819 -9.746 10.428 1.00 0.00 C ATOM 719 NZ LYS A 47 -1.633 -8.909 11.347 1.00 0.00 N ATOM 0 H LYS A 47 3.044 -8.383 13.781 1.00 0.00 H new ATOM 0 HA LYS A 47 3.942 -10.107 11.554 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.669 -8.112 11.477 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.073 -9.336 10.290 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.752 -10.918 12.510 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.646 -9.617 12.905 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.596 -11.357 10.417 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.537 -11.407 11.754 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.206 -9.097 9.803 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.485 -10.294 9.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.199 -8.235 10.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.266 -9.519 11.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.004 -8.386 11.990 1.00 0.00 H new ATOM 733 N VAL A 48 4.979 -8.354 10.155 1.00 0.00 N ATOM 734 CA VAL A 48 6.052 -7.569 9.516 1.00 0.00 C ATOM 735 C VAL A 48 5.668 -7.142 8.087 1.00 0.00 C ATOM 736 O VAL A 48 4.937 -7.882 7.421 1.00 0.00 O ATOM 737 CB VAL A 48 7.389 -8.340 9.541 1.00 0.00 C ATOM 738 CG1 VAL A 48 7.844 -8.593 10.986 1.00 0.00 C ATOM 739 CG2 VAL A 48 7.329 -9.692 8.814 1.00 0.00 C ATOM 0 H VAL A 48 4.711 -9.169 9.603 1.00 0.00 H new ATOM 0 HA VAL A 48 6.186 -6.656 10.095 1.00 0.00 H new ATOM 0 HB VAL A 48 8.100 -7.703 9.014 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.788 -9.138 10.980 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.978 -7.640 11.497 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.089 -9.181 11.507 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.302 -10.179 8.871 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.578 -10.326 9.286 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.064 -9.532 7.769 1.00 0.00 H new ATOM 749 N PRO A 49 6.102 -5.958 7.606 1.00 0.00 N ATOM 750 CA PRO A 49 5.618 -5.386 6.349 1.00 0.00 C ATOM 751 C PRO A 49 6.347 -5.915 5.103 1.00 0.00 C ATOM 752 O PRO A 49 7.577 -5.874 5.019 1.00 0.00 O ATOM 753 CB PRO A 49 5.786 -3.871 6.498 1.00 0.00 C ATOM 754 CG PRO A 49 7.007 -3.748 7.410 1.00 0.00 C ATOM 755 CD PRO A 49 6.876 -4.957 8.337 1.00 0.00 C ATOM 0 HA PRO A 49 4.580 -5.675 6.183 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.951 -3.387 5.536 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.904 -3.409 6.940 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.937 -3.775 6.843 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.000 -2.811 7.967 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.857 -5.347 8.607 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.376 -4.682 9.265 1.00 0.00 H new ATOM 763 N HIS A 50 5.586 -6.352 4.094 1.00 0.00 N ATOM 764 CA HIS A 50 6.065 -6.624 2.733 1.00 0.00 C ATOM 765 C HIS A 50 5.674 -5.463 1.835 1.00 0.00 C ATOM 766 O HIS A 50 4.500 -5.332 1.518 1.00 0.00 O ATOM 767 CB HIS A 50 5.489 -7.960 2.230 1.00 0.00 C ATOM 768 CG HIS A 50 6.247 -9.165 2.729 1.00 0.00 C ATOM 769 ND1 HIS A 50 6.500 -10.331 2.003 1.00 0.00 N ATOM 770 CD2 HIS A 50 6.805 -9.287 3.966 1.00 0.00 C ATOM 771 CE1 HIS A 50 7.196 -11.132 2.827 1.00 0.00 C ATOM 772 NE2 HIS A 50 7.416 -10.520 4.003 1.00 0.00 N ATOM 0 H HIS A 50 4.588 -6.532 4.205 1.00 0.00 H new ATOM 0 HA HIS A 50 7.151 -6.717 2.723 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.448 -8.039 2.544 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.495 -7.962 1.140 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.774 -8.558 4.762 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.532 -12.128 2.579 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.944 -10.903 4.787 1.00 0.00 H new ATOM 780 N TRP A 51 6.628 -4.601 1.478 1.00 0.00 N ATOM 781 CA TRP A 51 6.383 -3.370 0.724 1.00 0.00 C ATOM 782 C TRP A 51 6.292 -3.628 -0.782 1.00 0.00 C ATOM 783 O TRP A 51 7.016 -4.448 -1.343 1.00 0.00 O ATOM 784 CB TRP A 51 7.488 -2.350 1.006 1.00 0.00 C ATOM 785 CG TRP A 51 7.606 -1.910 2.430 1.00 0.00 C ATOM 786 CD1 TRP A 51 8.465 -2.424 3.340 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.857 -0.863 3.125 1.00 0.00 C ATOM 788 NE1 TRP A 51 8.303 -1.774 4.547 1.00 0.00 N ATOM 789 CE2 TRP A 51 7.320 -0.812 4.475 1.00 0.00 C ATOM 790 CE3 TRP A 51 5.826 0.035 2.761 1.00 0.00 C ATOM 791 CZ2 TRP A 51 6.796 0.082 5.415 1.00 0.00 C ATOM 792 CZ3 TRP A 51 5.283 0.933 3.707 1.00 0.00 C ATOM 793 CH2 TRP A 51 5.777 0.964 5.025 1.00 0.00 C ATOM 0 H TRP A 51 7.611 -4.742 1.709 1.00 0.00 H new ATOM 0 HA TRP A 51 5.423 -2.974 1.053 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.441 -2.777 0.695 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.315 -1.471 0.385 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.169 -3.221 3.151 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.844 -1.980 5.387 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.450 0.034 1.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.171 0.093 6.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 4.484 1.600 3.417 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.371 1.668 5.737 1.00 0.00 H new ATOM 804 N TYR A 52 5.444 -2.870 -1.461 1.00 0.00 N ATOM 805 CA TYR A 52 5.341 -2.862 -2.911 1.00 0.00 C ATOM 806 C TYR A 52 4.929 -1.463 -3.407 1.00 0.00 C ATOM 807 O TYR A 52 4.416 -0.634 -2.646 1.00 0.00 O ATOM 808 CB TYR A 52 4.394 -3.974 -3.416 1.00 0.00 C ATOM 809 CG TYR A 52 4.019 -5.141 -2.504 1.00 0.00 C ATOM 810 CD1 TYR A 52 3.068 -4.988 -1.472 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.568 -6.413 -2.756 1.00 0.00 C ATOM 812 CE1 TYR A 52 2.671 -6.105 -0.704 1.00 0.00 C ATOM 813 CE2 TYR A 52 4.168 -7.529 -1.997 1.00 0.00 C ATOM 814 CZ TYR A 52 3.226 -7.377 -0.963 1.00 0.00 C ATOM 815 OH TYR A 52 2.854 -8.458 -0.223 1.00 0.00 O ATOM 0 H TYR A 52 4.793 -2.229 -1.007 1.00 0.00 H new ATOM 0 HA TYR A 52 6.321 -3.084 -3.333 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.465 -3.492 -3.722 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.844 -4.398 -4.314 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.644 -4.016 -1.269 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.302 -6.533 -3.539 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.941 -5.986 0.083 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.585 -8.503 -2.209 1.00 0.00 H new ATOM 0 HH TYR A 52 3.334 -9.252 -0.539 1.00 0.00 H new ATOM 825 N HIS A 53 5.135 -1.191 -4.698 1.00 0.00 N ATOM 826 CA HIS A 53 4.553 -0.013 -5.366 1.00 0.00 C ATOM 827 C HIS A 53 3.016 -0.010 -5.219 1.00 0.00 C ATOM 828 O HIS A 53 2.406 -1.072 -5.059 1.00 0.00 O ATOM 829 CB HIS A 53 4.965 0.020 -6.851 1.00 0.00 C ATOM 830 CG HIS A 53 6.461 0.056 -7.099 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.286 -0.980 -7.562 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.241 1.159 -6.894 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.530 -0.478 -7.604 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.534 0.801 -7.205 1.00 0.00 N ATOM 0 H HIS A 53 5.705 -1.774 -5.311 1.00 0.00 H new ATOM 0 HA HIS A 53 4.939 0.886 -4.885 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.550 -0.857 -7.347 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.513 0.894 -7.319 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.907 2.128 -6.553 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.405 -1.028 -7.916 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.353 1.405 -7.142 1.00 0.00 H new ATOM 842 N PHE A 54 2.371 1.163 -5.294 1.00 0.00 N ATOM 843 CA PHE A 54 0.910 1.287 -5.136 1.00 0.00 C ATOM 844 C PHE A 54 0.119 0.328 -6.050 1.00 0.00 C ATOM 845 O PHE A 54 -0.847 -0.285 -5.604 1.00 0.00 O ATOM 846 CB PHE A 54 0.481 2.741 -5.398 1.00 0.00 C ATOM 847 CG PHE A 54 -1.012 2.926 -5.652 1.00 0.00 C ATOM 848 CD1 PHE A 54 -1.959 2.709 -4.628 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.459 3.261 -6.947 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.335 2.791 -4.910 1.00 0.00 C ATOM 851 CE2 PHE A 54 -2.836 3.353 -7.221 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.772 3.095 -6.207 1.00 0.00 C ATOM 0 H PHE A 54 2.843 2.051 -5.465 1.00 0.00 H new ATOM 0 HA PHE A 54 0.675 1.004 -4.110 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.769 3.351 -4.542 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.032 3.119 -6.259 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.627 2.480 -3.626 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.741 3.448 -7.732 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.057 2.619 -4.125 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.173 3.622 -8.211 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.829 3.131 -6.426 1.00 0.00 H new ATOM 862 N SER A 55 0.542 0.159 -7.309 1.00 0.00 N ATOM 863 CA SER A 55 -0.083 -0.748 -8.279 1.00 0.00 C ATOM 864 C SER A 55 0.315 -2.212 -8.051 1.00 0.00 C ATOM 865 O SER A 55 -0.532 -3.105 -8.159 1.00 0.00 O ATOM 866 CB SER A 55 0.282 -0.305 -9.697 1.00 0.00 C ATOM 867 OG SER A 55 1.687 -0.156 -9.829 1.00 0.00 O ATOM 0 H SER A 55 1.345 0.660 -7.689 1.00 0.00 H new ATOM 0 HA SER A 55 -1.163 -0.693 -8.142 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.080 -1.039 -10.417 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.212 0.639 -9.927 1.00 0.00 H new ATOM 0 HG SER A 55 1.902 0.126 -10.743 1.00 0.00 H new ATOM 873 N CYS A 56 1.576 -2.464 -7.678 1.00 0.00 N ATOM 874 CA CYS A 56 2.104 -3.795 -7.406 1.00 0.00 C ATOM 875 C CYS A 56 1.342 -4.530 -6.285 1.00 0.00 C ATOM 876 O CYS A 56 1.140 -5.735 -6.397 1.00 0.00 O ATOM 877 CB CYS A 56 3.596 -3.707 -7.079 1.00 0.00 C ATOM 878 SG CYS A 56 4.601 -3.298 -8.556 1.00 0.00 S ATOM 0 H CYS A 56 2.269 -1.726 -7.556 1.00 0.00 H new ATOM 0 HA CYS A 56 1.962 -4.387 -8.310 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.755 -2.949 -6.312 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.932 -4.657 -6.663 1.00 0.00 H new ATOM 883 N PHE A 57 0.870 -3.825 -5.251 1.00 0.00 N ATOM 884 CA PHE A 57 0.012 -4.369 -4.185 1.00 0.00 C ATOM 885 C PHE A 57 -1.183 -5.161 -4.753 1.00 0.00 C ATOM 886 O PHE A 57 -1.416 -6.314 -4.384 1.00 0.00 O ATOM 887 CB PHE A 57 -0.474 -3.213 -3.304 1.00 0.00 C ATOM 888 CG PHE A 57 -1.424 -3.644 -2.201 1.00 0.00 C ATOM 889 CD1 PHE A 57 -2.781 -3.875 -2.499 1.00 0.00 C ATOM 890 CD2 PHE A 57 -0.963 -3.832 -0.885 1.00 0.00 C ATOM 891 CE1 PHE A 57 -3.663 -4.329 -1.510 1.00 0.00 C ATOM 892 CE2 PHE A 57 -1.863 -4.220 0.123 1.00 0.00 C ATOM 893 CZ PHE A 57 -3.205 -4.493 -0.194 1.00 0.00 C ATOM 0 H PHE A 57 1.078 -2.834 -5.126 1.00 0.00 H new ATOM 0 HA PHE A 57 0.597 -5.070 -3.590 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.390 -2.721 -2.856 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.972 -2.474 -3.932 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.145 -3.700 -3.501 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.080 -3.679 -0.650 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.690 -4.552 -1.759 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.522 -4.309 1.144 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.884 -4.829 0.576 1.00 0.00 H new ATOM 903 N TRP A 58 -1.921 -4.561 -5.690 1.00 0.00 N ATOM 904 CA TRP A 58 -3.103 -5.171 -6.308 1.00 0.00 C ATOM 905 C TRP A 58 -2.712 -6.262 -7.315 1.00 0.00 C ATOM 906 O TRP A 58 -3.426 -7.253 -7.473 1.00 0.00 O ATOM 907 CB TRP A 58 -3.957 -4.074 -6.954 1.00 0.00 C ATOM 908 CG TRP A 58 -4.213 -2.887 -6.072 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.516 -1.730 -6.109 1.00 0.00 C ATOM 910 CD2 TRP A 58 -5.166 -2.735 -4.973 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.921 -0.901 -5.083 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.943 -1.465 -4.352 1.00 0.00 C ATOM 913 CE3 TRP A 58 -6.182 -3.548 -4.424 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.690 -1.025 -3.250 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -6.933 -3.117 -3.316 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.690 -1.861 -2.732 1.00 0.00 C ATOM 0 H TRP A 58 -1.713 -3.628 -6.045 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.694 -5.665 -5.537 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.463 -3.735 -7.864 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.914 -4.503 -7.251 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.754 -1.489 -6.835 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.515 0.014 -4.890 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.385 -4.514 -4.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.499 -0.059 -2.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -7.703 -3.756 -2.910 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -7.275 -1.539 -1.883 1.00 0.00 H new ATOM 927 N LYS A 59 -1.528 -6.132 -7.926 1.00 0.00 N ATOM 928 CA LYS A 59 -0.886 -7.130 -8.792 1.00 0.00 C ATOM 929 C LYS A 59 -0.441 -8.394 -8.032 1.00 0.00 C ATOM 930 O LYS A 59 -0.306 -9.446 -8.655 1.00 0.00 O ATOM 931 CB LYS A 59 0.275 -6.419 -9.504 1.00 0.00 C ATOM 932 CG LYS A 59 0.854 -7.148 -10.723 1.00 0.00 C ATOM 933 CD LYS A 59 1.807 -6.231 -11.515 1.00 0.00 C ATOM 934 CE LYS A 59 3.016 -5.773 -10.682 1.00 0.00 C ATOM 935 NZ LYS A 59 3.601 -4.506 -11.189 1.00 0.00 N ATOM 0 H LYS A 59 -0.964 -5.288 -7.825 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.602 -7.509 -9.522 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.066 -5.434 -9.821 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.077 -6.261 -8.783 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.389 -8.040 -10.397 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.043 -7.482 -11.371 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.160 -6.759 -12.401 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.258 -5.356 -11.863 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.710 -5.640 -9.644 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.778 -6.552 -10.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.167 -4.061 -10.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.209 -4.708 -12.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.837 -3.861 -11.475 1.00 0.00 H new ATOM 949 N VAL A 60 -0.281 -8.344 -6.699 1.00 0.00 N ATOM 950 CA VAL A 60 -0.152 -9.564 -5.858 1.00 0.00 C ATOM 951 C VAL A 60 -1.466 -10.377 -5.818 1.00 0.00 C ATOM 952 O VAL A 60 -1.450 -11.573 -5.530 1.00 0.00 O ATOM 953 CB VAL A 60 0.318 -9.256 -4.410 1.00 0.00 C ATOM 954 CG1 VAL A 60 0.842 -10.508 -3.688 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.461 -8.241 -4.337 1.00 0.00 C ATOM 0 H VAL A 60 -0.237 -7.472 -6.171 1.00 0.00 H new ATOM 0 HA VAL A 60 0.621 -10.165 -6.337 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.579 -8.857 -3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.158 -10.241 -2.680 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.050 -11.255 -3.634 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.690 -10.917 -4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.735 -8.076 -3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.323 -8.624 -4.883 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.140 -7.299 -4.781 1.00 0.00 H new ATOM 965 N GLY A 61 -2.609 -9.754 -6.136 1.00 0.00 N ATOM 966 CA GLY A 61 -3.943 -10.370 -6.114 1.00 0.00 C ATOM 967 C GLY A 61 -4.722 -10.167 -4.805 1.00 0.00 C ATOM 968 O GLY A 61 -5.779 -10.777 -4.623 1.00 0.00 O ATOM 0 H GLY A 61 -2.631 -8.776 -6.425 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.530 -9.963 -6.937 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.838 -11.439 -6.296 1.00 0.00 H new ATOM 972 N HIS A 62 -4.227 -9.321 -3.893 1.00 0.00 N ATOM 973 CA HIS A 62 -4.926 -8.944 -2.655 1.00 0.00 C ATOM 974 C HIS A 62 -6.054 -7.930 -2.907 1.00 0.00 C ATOM 975 O HIS A 62 -6.001 -7.135 -3.849 1.00 0.00 O ATOM 976 CB HIS A 62 -3.925 -8.436 -1.604 1.00 0.00 C ATOM 977 CG HIS A 62 -3.205 -9.562 -0.900 1.00 0.00 C ATOM 978 ND1 HIS A 62 -3.512 -10.043 0.376 1.00 0.00 N ATOM 979 CD2 HIS A 62 -2.189 -10.311 -1.419 1.00 0.00 C ATOM 980 CE1 HIS A 62 -2.663 -11.061 0.602 1.00 0.00 C ATOM 981 NE2 HIS A 62 -1.859 -11.244 -0.460 1.00 0.00 N ATOM 0 H HIS A 62 -3.317 -8.872 -3.994 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.406 -9.840 -2.261 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.194 -7.787 -2.087 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.452 -7.830 -0.868 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.733 -10.195 -2.391 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.631 -11.648 1.508 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -1.130 -11.952 -0.542 1.00 0.00 H new ATOM 989 N SER A 63 -7.073 -7.963 -2.046 1.00 0.00 N ATOM 990 CA SER A 63 -8.252 -7.088 -2.078 1.00 0.00 C ATOM 991 C SER A 63 -8.650 -6.657 -0.659 1.00 0.00 C ATOM 992 O SER A 63 -8.342 -7.344 0.318 1.00 0.00 O ATOM 993 CB SER A 63 -9.411 -7.800 -2.783 1.00 0.00 C ATOM 994 OG SER A 63 -10.478 -6.892 -3.001 1.00 0.00 O ATOM 0 H SER A 63 -7.103 -8.628 -1.273 1.00 0.00 H new ATOM 0 HA SER A 63 -8.006 -6.187 -2.639 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.072 -8.210 -3.734 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.755 -8.639 -2.178 1.00 0.00 H new ATOM 0 HG SER A 63 -11.214 -7.355 -3.454 1.00 0.00 H new ATOM 1000 N ILE A 64 -9.311 -5.503 -0.538 1.00 0.00 N ATOM 1001 CA ILE A 64 -9.526 -4.779 0.723 1.00 0.00 C ATOM 1002 C ILE A 64 -11.007 -4.389 0.818 1.00 0.00 C ATOM 1003 O ILE A 64 -11.535 -3.697 -0.054 1.00 0.00 O ATOM 1004 CB ILE A 64 -8.586 -3.548 0.816 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.127 -3.870 0.411 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -8.633 -2.955 2.234 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -6.172 -2.681 0.561 1.00 0.00 C ATOM 0 H ILE A 64 -9.726 -5.029 -1.340 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.280 -5.418 1.571 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.951 -2.813 0.099 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.763 -4.697 1.021 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.113 -4.208 -0.625 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.970 -2.092 2.289 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.652 -2.645 2.465 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.310 -3.707 2.954 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.168 -2.980 0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.511 -1.860 -0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.156 -2.356 1.601 1.00 0.00 H new ATOM 1019 N ARG A 65 -11.688 -4.841 1.876 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.144 -4.658 2.067 1.00 0.00 C ATOM 1021 C ARG A 65 -13.514 -3.340 2.760 1.00 0.00 C ATOM 1022 O ARG A 65 -14.616 -2.827 2.567 1.00 0.00 O ATOM 1023 CB ARG A 65 -13.778 -5.888 2.752 1.00 0.00 C ATOM 1024 CG ARG A 65 -13.057 -6.398 4.012 1.00 0.00 C ATOM 1025 CD ARG A 65 -11.994 -7.461 3.694 1.00 0.00 C ATOM 1026 NE ARG A 65 -11.175 -7.735 4.888 1.00 0.00 N ATOM 1027 CZ ARG A 65 -11.028 -8.869 5.547 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -11.505 -10.006 5.119 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -10.391 -8.864 6.677 1.00 0.00 N ATOM 0 H ARG A 65 -11.244 -5.352 2.639 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.576 -4.578 1.070 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.806 -5.642 3.019 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -13.823 -6.701 2.027 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.585 -5.558 4.521 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.790 -6.817 4.701 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.476 -8.378 3.357 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.358 -7.117 2.879 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.651 -6.941 5.255 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.018 -10.045 4.238 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.365 -10.856 5.665 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.012 -7.991 7.045 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.269 -9.733 7.198 1.00 0.00 H new ATOM 1043 N HIS A 66 -12.583 -2.781 3.534 1.00 0.00 N ATOM 1044 CA HIS A 66 -12.685 -1.483 4.218 1.00 0.00 C ATOM 1045 C HIS A 66 -11.285 -0.894 4.475 1.00 0.00 C ATOM 1046 O HIS A 66 -10.716 -1.094 5.551 1.00 0.00 O ATOM 1047 CB HIS A 66 -13.537 -1.601 5.505 1.00 0.00 C ATOM 1048 CG HIS A 66 -13.348 -2.811 6.401 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -14.295 -3.266 7.327 1.00 0.00 N ATOM 1050 CD2 HIS A 66 -12.263 -3.637 6.461 1.00 0.00 C ATOM 1051 CE1 HIS A 66 -13.758 -4.347 7.918 1.00 0.00 C ATOM 1052 NE2 HIS A 66 -12.538 -4.594 7.412 1.00 0.00 N ATOM 0 H HIS A 66 -11.691 -3.241 3.712 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.206 -0.780 3.568 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.349 -0.712 6.107 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -14.586 -1.570 5.210 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -11.360 -3.555 5.874 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -14.238 -4.933 8.688 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -11.921 -5.359 7.685 1.00 0.00 H new ATOM 1060 N PRO A 67 -10.680 -0.179 3.505 1.00 0.00 N ATOM 1061 CA PRO A 67 -9.303 0.294 3.643 1.00 0.00 C ATOM 1062 C PRO A 67 -9.121 1.334 4.752 1.00 0.00 C ATOM 1063 O PRO A 67 -8.054 1.391 5.353 1.00 0.00 O ATOM 1064 CB PRO A 67 -8.902 0.846 2.270 1.00 0.00 C ATOM 1065 CG PRO A 67 -10.239 1.214 1.637 1.00 0.00 C ATOM 1066 CD PRO A 67 -11.196 0.158 2.185 1.00 0.00 C ATOM 0 HA PRO A 67 -8.657 -0.529 3.949 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.247 1.713 2.360 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.367 0.103 1.678 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.551 2.221 1.915 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.189 1.184 0.549 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.214 0.543 2.247 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.226 -0.719 1.539 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.165 2.083 5.117 1.00 0.00 N ATOM 1075 CA ASP A 68 -10.109 3.016 6.248 1.00 0.00 C ATOM 1076 C ASP A 68 -9.946 2.291 7.604 1.00 0.00 C ATOM 1077 O ASP A 68 -9.547 2.900 8.599 1.00 0.00 O ATOM 1078 CB ASP A 68 -11.374 3.887 6.212 1.00 0.00 C ATOM 1079 CG ASP A 68 -11.428 4.929 7.344 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -10.622 5.889 7.329 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -12.314 4.814 8.227 1.00 0.00 O ATOM 0 H ASP A 68 -11.067 2.061 4.641 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.224 3.645 6.151 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.426 4.401 5.252 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.252 3.244 6.277 1.00 0.00 H new ATOM 1086 N VAL A 69 -10.216 0.978 7.635 1.00 0.00 N ATOM 1087 CA VAL A 69 -10.085 0.103 8.807 1.00 0.00 C ATOM 1088 C VAL A 69 -8.793 -0.723 8.754 1.00 0.00 C ATOM 1089 O VAL A 69 -8.147 -0.919 9.785 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.319 -0.817 8.928 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -11.276 -1.701 10.180 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -12.625 -0.009 8.976 1.00 0.00 C ATOM 0 H VAL A 69 -10.545 0.477 6.810 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.030 0.735 9.693 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.293 -1.447 8.039 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.168 -2.327 10.214 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.389 -2.334 10.148 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.240 -1.071 11.069 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.471 -0.690 9.061 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.608 0.659 9.837 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.723 0.579 8.063 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.402 -1.206 7.568 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.352 -2.238 7.417 1.00 0.00 C ATOM 1104 C GLU A 70 -6.066 -1.784 6.711 1.00 0.00 C ATOM 1105 O GLU A 70 -5.045 -2.462 6.838 1.00 0.00 O ATOM 1106 CB GLU A 70 -7.935 -3.476 6.716 1.00 0.00 C ATOM 1107 CG GLU A 70 -8.951 -4.211 7.599 1.00 0.00 C ATOM 1108 CD GLU A 70 -9.573 -5.441 6.916 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -9.554 -5.568 5.670 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -10.171 -6.282 7.628 1.00 0.00 O ATOM 0 H GLU A 70 -8.801 -0.896 6.682 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.038 -2.473 8.434 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.415 -3.173 5.786 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.126 -4.157 6.450 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.461 -4.525 8.521 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.745 -3.519 7.880 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.081 -0.648 6.007 1.00 0.00 N ATOM 1118 CA VAL A 71 -4.883 0.030 5.487 1.00 0.00 C ATOM 1119 C VAL A 71 -4.370 1.009 6.539 1.00 0.00 C ATOM 1120 O VAL A 71 -4.879 2.117 6.716 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.143 0.684 4.125 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -3.845 1.266 3.589 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -5.592 -0.360 3.101 1.00 0.00 C ATOM 0 H VAL A 71 -6.946 -0.160 5.776 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.100 -0.705 5.300 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.909 1.446 4.265 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.028 1.732 2.620 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.467 2.014 4.286 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.109 0.470 3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.771 0.125 2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.814 -1.115 2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.511 -0.835 3.445 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.327 0.590 7.246 1.00 0.00 N ATOM 1134 CA ASP A 72 -2.551 1.441 8.143 1.00 0.00 C ATOM 1135 C ASP A 72 -1.894 2.596 7.362 1.00 0.00 C ATOM 1136 O ASP A 72 -1.467 2.418 6.222 1.00 0.00 O ATOM 1137 CB ASP A 72 -1.537 0.538 8.847 1.00 0.00 C ATOM 1138 CG ASP A 72 -0.695 1.283 9.883 1.00 0.00 C ATOM 1139 OD1 ASP A 72 0.294 1.930 9.477 1.00 0.00 O ATOM 1140 OD2 ASP A 72 -1.001 1.195 11.095 1.00 0.00 O ATOM 0 H ASP A 72 -2.989 -0.372 7.211 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.182 1.921 8.891 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.065 -0.280 9.336 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.877 0.092 8.103 1.00 0.00 H new ATOM 1145 N GLY A 73 -1.843 3.798 7.938 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.298 4.999 7.286 1.00 0.00 C ATOM 1147 C GLY A 73 -2.232 5.670 6.266 1.00 0.00 C ATOM 1148 O GLY A 73 -1.891 6.725 5.732 1.00 0.00 O ATOM 0 H GLY A 73 -2.183 3.971 8.884 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.044 5.727 8.056 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.369 4.730 6.783 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.440 5.135 6.034 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.462 5.741 5.162 1.00 0.00 C ATOM 1154 C PHE A 74 -4.874 7.156 5.619 1.00 0.00 C ATOM 1155 O PHE A 74 -5.200 8.012 4.795 1.00 0.00 O ATOM 1156 CB PHE A 74 -5.665 4.786 5.120 1.00 0.00 C ATOM 1157 CG PHE A 74 -6.840 5.242 4.277 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -6.838 5.021 2.887 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -7.950 5.859 4.887 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -7.941 5.422 2.112 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -9.052 6.257 4.110 1.00 0.00 C ATOM 1162 CZ PHE A 74 -9.040 6.045 2.722 1.00 0.00 C ATOM 0 H PHE A 74 -3.741 4.255 6.453 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.048 5.875 4.163 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.326 3.821 4.745 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.014 4.626 6.140 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.991 4.544 2.416 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.954 6.027 5.954 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.942 5.250 1.046 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.905 6.724 4.579 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.880 6.363 2.122 1.00 0.00 H new ATOM 1172 N SER A 75 -4.782 7.434 6.921 1.00 0.00 N ATOM 1173 CA SER A 75 -4.980 8.754 7.536 1.00 0.00 C ATOM 1174 C SER A 75 -3.934 9.810 7.136 1.00 0.00 C ATOM 1175 O SER A 75 -4.214 11.006 7.231 1.00 0.00 O ATOM 1176 CB SER A 75 -4.967 8.599 9.061 1.00 0.00 C ATOM 1177 OG SER A 75 -3.862 7.808 9.483 1.00 0.00 O ATOM 0 H SER A 75 -4.558 6.715 7.609 1.00 0.00 H new ATOM 0 HA SER A 75 -5.939 9.119 7.167 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.916 9.582 9.530 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.897 8.137 9.391 1.00 0.00 H new ATOM 0 HG SER A 75 -3.873 7.724 10.459 1.00 0.00 H new ATOM 1183 N GLU A 76 -2.751 9.402 6.666 1.00 0.00 N ATOM 1184 CA GLU A 76 -1.672 10.313 6.247 1.00 0.00 C ATOM 1185 C GLU A 76 -1.802 10.765 4.778 1.00 0.00 C ATOM 1186 O GLU A 76 -1.154 11.731 4.365 1.00 0.00 O ATOM 1187 CB GLU A 76 -0.299 9.655 6.479 1.00 0.00 C ATOM 1188 CG GLU A 76 -0.009 9.277 7.940 1.00 0.00 C ATOM 1189 CD GLU A 76 0.112 10.521 8.844 1.00 0.00 C ATOM 1190 OE1 GLU A 76 1.183 11.178 8.836 1.00 0.00 O ATOM 1191 OE2 GLU A 76 -0.853 10.851 9.576 1.00 0.00 O ATOM 0 H GLU A 76 -2.509 8.416 6.563 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.761 11.208 6.862 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.233 8.757 5.865 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.479 10.336 6.132 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.806 8.633 8.313 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.915 8.701 7.989 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.641 10.088 3.984 1.00 0.00 N ATOM 1199 CA LEU A 77 -2.919 10.431 2.587 1.00 0.00 C ATOM 1200 C LEU A 77 -3.806 11.681 2.458 1.00 0.00 C ATOM 1201 O LEU A 77 -4.646 11.960 3.319 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.584 9.239 1.879 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.731 7.966 1.756 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -3.590 6.899 1.076 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -1.464 8.172 0.929 1.00 0.00 C ATOM 0 H LEU A 77 -3.156 9.268 4.304 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.966 10.660 2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.500 8.988 2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.877 9.554 0.878 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.414 7.673 2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.014 5.980 0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.476 6.706 1.680 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.893 7.250 0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.906 7.237 0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.735 8.487 -0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.846 8.940 1.395 1.00 0.00 H new ATOM 1217 N ARG A 78 -3.669 12.405 1.340 1.00 0.00 N ATOM 1218 CA ARG A 78 -4.621 13.450 0.925 1.00 0.00 C ATOM 1219 C ARG A 78 -5.931 12.852 0.427 1.00 0.00 C ATOM 1220 O ARG A 78 -5.994 11.690 0.020 1.00 0.00 O ATOM 1221 CB ARG A 78 -3.998 14.378 -0.138 1.00 0.00 C ATOM 1222 CG ARG A 78 -3.018 15.400 0.456 1.00 0.00 C ATOM 1223 CD ARG A 78 -3.749 16.416 1.351 1.00 0.00 C ATOM 1224 NE ARG A 78 -2.852 17.508 1.780 1.00 0.00 N ATOM 1225 CZ ARG A 78 -2.008 17.504 2.800 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -1.859 16.469 3.579 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -1.286 18.557 3.058 1.00 0.00 N ATOM 0 H ARG A 78 -2.891 12.284 0.692 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.849 14.050 1.806 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.477 13.773 -0.880 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.794 14.908 -0.661 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.256 14.881 1.037 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.503 15.925 -0.349 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.598 16.833 0.810 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.149 15.907 2.228 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.887 18.364 1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.404 15.623 3.412 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.198 16.506 4.355 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.370 19.389 2.473 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.637 18.550 3.845 1.00 0.00 H new ATOM 1241 N TRP A 79 -6.977 13.677 0.431 1.00 0.00 N ATOM 1242 CA TRP A 79 -8.340 13.267 0.097 1.00 0.00 C ATOM 1243 C TRP A 79 -8.431 12.587 -1.284 1.00 0.00 C ATOM 1244 O TRP A 79 -9.039 11.528 -1.400 1.00 0.00 O ATOM 1245 CB TRP A 79 -9.292 14.468 0.268 1.00 0.00 C ATOM 1246 CG TRP A 79 -10.348 14.660 -0.775 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -11.613 14.181 -0.743 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -10.233 15.398 -2.028 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -12.286 14.581 -1.883 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -11.479 15.329 -2.717 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -9.188 16.114 -2.648 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -11.678 15.940 -3.965 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -9.372 16.724 -3.904 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -10.614 16.639 -4.562 1.00 0.00 C ATOM 0 H TRP A 79 -6.900 14.665 0.670 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.661 12.492 0.794 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -9.786 14.372 1.235 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.688 15.374 0.307 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -12.032 13.579 0.050 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -13.259 14.352 -2.083 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -8.232 16.196 -2.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -12.636 15.874 -4.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.556 17.260 -4.365 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.749 17.110 -5.524 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.745 13.104 -2.307 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.757 12.537 -3.665 1.00 0.00 C ATOM 1267 C ASP A 80 -7.135 11.126 -3.756 1.00 0.00 C ATOM 1268 O ASP A 80 -7.553 10.309 -4.575 1.00 0.00 O ATOM 1269 CB ASP A 80 -7.046 13.511 -4.614 1.00 0.00 C ATOM 1270 CG ASP A 80 -7.187 13.085 -6.087 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -8.330 13.069 -6.605 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -6.153 12.802 -6.738 1.00 0.00 O ATOM 0 H ASP A 80 -7.160 13.935 -2.219 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.799 12.410 -3.958 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.460 14.511 -4.484 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.989 13.567 -4.352 1.00 0.00 H new ATOM 1277 N ASP A 81 -6.164 10.816 -2.892 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.533 9.497 -2.795 1.00 0.00 C ATOM 1279 C ASP A 81 -6.361 8.564 -1.912 1.00 0.00 C ATOM 1280 O ASP A 81 -6.477 7.389 -2.237 1.00 0.00 O ATOM 1281 CB ASP A 81 -4.091 9.608 -2.279 1.00 0.00 C ATOM 1282 CG ASP A 81 -3.114 10.050 -3.377 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -2.919 9.283 -4.351 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.512 11.140 -3.241 1.00 0.00 O ATOM 0 H ASP A 81 -5.787 11.490 -2.226 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.494 9.069 -3.797 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.056 10.321 -1.455 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.775 8.644 -1.880 1.00 0.00 H new ATOM 1289 N GLN A 82 -7.024 9.072 -0.866 1.00 0.00 N ATOM 1290 CA GLN A 82 -8.026 8.314 -0.112 1.00 0.00 C ATOM 1291 C GLN A 82 -9.182 7.865 -1.017 1.00 0.00 C ATOM 1292 O GLN A 82 -9.502 6.677 -1.038 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.541 9.138 1.078 1.00 0.00 C ATOM 1294 CG GLN A 82 -7.487 9.240 2.189 1.00 0.00 C ATOM 1295 CD GLN A 82 -7.944 10.076 3.386 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -8.871 10.874 3.328 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -7.300 9.934 4.522 1.00 0.00 N ATOM 0 H GLN A 82 -6.880 10.020 -0.520 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.548 7.415 0.277 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.812 10.138 0.739 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.447 8.679 1.475 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.233 8.237 2.532 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.577 9.676 1.777 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.525 9.274 4.590 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.575 10.483 5.336 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.752 8.759 -1.836 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.810 8.408 -2.796 1.00 0.00 C ATOM 1308 C GLN A 83 -10.363 7.334 -3.798 1.00 0.00 C ATOM 1309 O GLN A 83 -11.150 6.457 -4.150 1.00 0.00 O ATOM 1310 CB GLN A 83 -11.267 9.642 -3.596 1.00 0.00 C ATOM 1311 CG GLN A 83 -11.983 10.715 -2.763 1.00 0.00 C ATOM 1312 CD GLN A 83 -12.682 11.749 -3.646 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -13.886 11.959 -3.570 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -11.972 12.437 -4.517 1.00 0.00 N ATOM 0 H GLN A 83 -9.494 9.746 -1.853 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.632 8.016 -2.197 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -10.396 10.092 -4.073 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.934 9.315 -4.394 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -12.716 10.240 -2.111 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.261 11.216 -2.119 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.968 12.277 -4.596 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -12.427 13.129 -5.112 1.00 0.00 H new ATOM 1323 N LYS A 84 -9.102 7.372 -4.247 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.549 6.493 -5.273 1.00 0.00 C ATOM 1325 C LYS A 84 -8.079 5.171 -4.678 1.00 0.00 C ATOM 1326 O LYS A 84 -8.286 4.145 -5.310 1.00 0.00 O ATOM 1327 CB LYS A 84 -7.469 7.287 -6.017 1.00 0.00 C ATOM 1328 CG LYS A 84 -6.748 6.510 -7.131 1.00 0.00 C ATOM 1329 CD LYS A 84 -5.337 6.114 -6.685 1.00 0.00 C ATOM 1330 CE LYS A 84 -4.440 7.358 -6.594 1.00 0.00 C ATOM 1331 NZ LYS A 84 -3.129 7.054 -5.978 1.00 0.00 N ATOM 0 H LYS A 84 -8.419 8.040 -3.891 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.305 6.192 -5.998 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.926 8.176 -6.451 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.728 7.630 -5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.318 5.617 -7.387 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.692 7.122 -8.031 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.380 5.616 -5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.911 5.401 -7.391 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.285 7.767 -7.593 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.945 8.127 -6.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.800 7.879 -5.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.226 6.238 -5.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.439 6.831 -6.723 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.558 5.142 -3.449 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.300 3.886 -2.710 1.00 0.00 C ATOM 1347 C VAL A 85 -8.625 3.175 -2.409 1.00 0.00 C ATOM 1348 O VAL A 85 -8.737 1.979 -2.672 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.482 4.141 -1.422 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -6.456 2.948 -0.451 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -5.022 4.468 -1.757 1.00 0.00 C ATOM 0 H VAL A 85 -7.301 5.983 -2.932 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.695 3.233 -3.339 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.988 4.977 -0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.863 3.206 0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.474 2.707 -0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.013 2.084 -0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.468 4.643 -0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.576 3.632 -2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.983 5.362 -2.379 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.664 3.901 -1.964 1.00 0.00 N ATOM 1362 CA LYS A 86 -11.023 3.353 -1.783 1.00 0.00 C ATOM 1363 C LYS A 86 -11.612 2.839 -3.104 1.00 0.00 C ATOM 1364 O LYS A 86 -12.092 1.707 -3.154 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.950 4.396 -1.130 1.00 0.00 C ATOM 1366 CG LYS A 86 -11.608 4.666 0.348 1.00 0.00 C ATOM 1367 CD LYS A 86 -12.500 5.753 0.967 1.00 0.00 C ATOM 1368 CE LYS A 86 -13.899 5.212 1.282 1.00 0.00 C ATOM 1369 NZ LYS A 86 -14.792 6.271 1.824 1.00 0.00 N ATOM 0 H LYS A 86 -9.587 4.888 -1.718 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.945 2.497 -1.112 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.886 5.330 -1.688 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.982 4.052 -1.201 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.717 3.743 0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.564 4.968 0.427 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.039 6.128 1.880 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.580 6.596 0.280 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.339 4.794 0.377 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.820 4.399 2.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.729 5.866 2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.385 6.653 2.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.888 7.035 1.125 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.499 3.605 -4.196 1.00 0.00 N ATOM 1384 CA LYS A 87 -11.960 3.181 -5.533 1.00 0.00 C ATOM 1385 C LYS A 87 -11.191 1.963 -6.044 1.00 0.00 C ATOM 1386 O LYS A 87 -11.805 1.030 -6.548 1.00 0.00 O ATOM 1387 CB LYS A 87 -11.902 4.359 -6.511 1.00 0.00 C ATOM 1388 CG LYS A 87 -12.513 3.981 -7.868 1.00 0.00 C ATOM 1389 CD LYS A 87 -12.779 5.240 -8.693 1.00 0.00 C ATOM 1390 CE LYS A 87 -13.357 4.869 -10.064 1.00 0.00 C ATOM 1391 NZ LYS A 87 -13.652 6.078 -10.879 1.00 0.00 N ATOM 0 H LYS A 87 -11.086 4.537 -4.182 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.000 2.865 -5.451 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.438 5.210 -6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.867 4.671 -6.649 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.837 3.319 -8.408 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.443 3.433 -7.717 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.474 5.890 -8.162 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.853 5.801 -8.821 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.650 4.233 -10.598 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.270 4.288 -9.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.041 5.790 -11.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.345 6.672 -10.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.776 6.619 -11.028 1.00 0.00 H new ATOM 1405 N THR A 88 -9.874 1.917 -5.850 1.00 0.00 N ATOM 1406 CA THR A 88 -9.021 0.783 -6.236 1.00 0.00 C ATOM 1407 C THR A 88 -9.318 -0.474 -5.413 1.00 0.00 C ATOM 1408 O THR A 88 -9.265 -1.579 -5.953 1.00 0.00 O ATOM 1409 CB THR A 88 -7.530 1.149 -6.170 1.00 0.00 C ATOM 1410 OG1 THR A 88 -7.291 2.317 -6.917 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.673 0.091 -6.847 1.00 0.00 C ATOM 0 H THR A 88 -9.356 2.679 -5.412 1.00 0.00 H new ATOM 0 HA THR A 88 -9.263 0.551 -7.273 1.00 0.00 H new ATOM 0 HB THR A 88 -7.285 1.257 -5.113 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.459 3.104 -6.357 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.623 0.378 -6.784 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.818 -0.868 -6.349 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.963 0.003 -7.894 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.728 -0.324 -4.150 1.00 0.00 N ATOM 1420 CA ALA A 89 -10.163 -1.417 -3.290 1.00 0.00 C ATOM 1421 C ALA A 89 -11.512 -1.995 -3.753 1.00 0.00 C ATOM 1422 O ALA A 89 -11.709 -3.210 -3.717 1.00 0.00 O ATOM 1423 CB ALA A 89 -10.216 -0.896 -1.852 1.00 0.00 C ATOM 0 H ALA A 89 -9.766 0.586 -3.690 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.455 -2.244 -3.346 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.540 -1.696 -1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.226 -0.553 -1.552 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.921 -0.067 -1.791 1.00 0.00 H new ATOM 1429 N GLU A 90 -12.414 -1.148 -4.264 1.00 0.00 N ATOM 1430 CA GLU A 90 -13.658 -1.598 -4.900 1.00 0.00 C ATOM 1431 C GLU A 90 -13.430 -2.207 -6.299 1.00 0.00 C ATOM 1432 O GLU A 90 -14.099 -3.171 -6.681 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.678 -0.449 -4.985 1.00 0.00 C ATOM 1434 CG GLU A 90 -15.186 0.006 -3.612 1.00 0.00 C ATOM 1435 CD GLU A 90 -16.324 1.036 -3.762 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -16.040 2.250 -3.907 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -17.515 0.638 -3.732 1.00 0.00 O ATOM 0 H GLU A 90 -12.302 -0.134 -4.248 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.057 -2.389 -4.265 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.220 0.398 -5.496 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.525 -0.767 -5.592 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.542 -0.856 -3.047 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.366 0.444 -3.043 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.472 -1.665 -7.056 1.00 0.00 N ATOM 1445 CA ALA A 91 -12.130 -2.066 -8.423 1.00 0.00 C ATOM 1446 C ALA A 91 -11.245 -3.332 -8.504 1.00 0.00 C ATOM 1447 O ALA A 91 -11.208 -3.996 -9.543 1.00 0.00 O ATOM 1448 CB ALA A 91 -11.444 -0.861 -9.084 1.00 0.00 C ATOM 0 H ALA A 91 -11.888 -0.901 -6.717 1.00 0.00 H new ATOM 0 HA ALA A 91 -13.044 -2.345 -8.947 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -11.170 -1.115 -10.108 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -12.127 -0.012 -9.091 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.547 -0.600 -8.523 1.00 0.00 H new ATOM 1454 N GLY A 92 -10.529 -3.668 -7.425 1.00 0.00 N ATOM 1455 CA GLY A 92 -9.587 -4.792 -7.351 1.00 0.00 C ATOM 1456 C GLY A 92 -8.213 -4.536 -7.993 1.00 0.00 C ATOM 1457 O GLY A 92 -7.442 -5.483 -8.164 1.00 0.00 O ATOM 0 H GLY A 92 -10.591 -3.148 -6.550 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -9.438 -5.052 -6.303 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.040 -5.658 -7.833 1.00 0.00 H new ATOM 1461 N GLY A 93 -7.897 -3.288 -8.362 1.00 0.00 N ATOM 1462 CA GLY A 93 -6.614 -2.886 -8.946 1.00 0.00 C ATOM 1463 C GLY A 93 -6.713 -1.763 -9.984 1.00 0.00 C ATOM 1464 O GLY A 93 -7.679 -1.671 -10.746 1.00 0.00 O ATOM 0 H GLY A 93 -8.547 -2.509 -8.259 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.949 -2.565 -8.144 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.153 -3.756 -9.413 1.00 0.00 H new ATOM 1468 N VAL A 94 -5.688 -0.908 -10.006 1.00 0.00 N ATOM 1469 CA VAL A 94 -5.462 0.170 -10.988 1.00 0.00 C ATOM 1470 C VAL A 94 -3.953 0.426 -11.147 1.00 0.00 C ATOM 1471 O VAL A 94 -3.156 0.013 -10.298 1.00 0.00 O ATOM 1472 CB VAL A 94 -6.238 1.450 -10.593 1.00 0.00 C ATOM 1473 CG1 VAL A 94 -5.486 2.364 -9.617 1.00 0.00 C ATOM 1474 CG2 VAL A 94 -6.631 2.280 -11.821 1.00 0.00 C ATOM 0 H VAL A 94 -4.950 -0.946 -9.303 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.849 -0.142 -11.958 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.127 1.075 -10.086 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -6.098 3.237 -9.391 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.277 1.820 -8.696 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.548 2.685 -10.069 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.174 3.169 -11.501 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.733 2.578 -12.361 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.267 1.683 -12.475 1.00 0.00 H new ATOM 1484 N THR A 95 -3.551 1.103 -12.223 1.00 0.00 N ATOM 1485 CA THR A 95 -2.142 1.394 -12.553 1.00 0.00 C ATOM 1486 C THR A 95 -1.884 2.891 -12.775 1.00 0.00 C ATOM 1487 O THR A 95 -2.768 3.638 -13.202 1.00 0.00 O ATOM 1488 CB THR A 95 -1.669 0.565 -13.759 1.00 0.00 C ATOM 1489 OG1 THR A 95 -2.503 0.780 -14.881 1.00 0.00 O ATOM 1490 CG2 THR A 95 -1.696 -0.933 -13.440 1.00 0.00 C ATOM 0 H THR A 95 -4.206 1.476 -12.910 1.00 0.00 H new ATOM 0 HA THR A 95 -1.552 1.100 -11.685 1.00 0.00 H new ATOM 0 HB THR A 95 -0.651 0.884 -13.981 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.181 0.244 -15.635 1.00 0.00 H new ATOM 0 HG21 THR A 95 -1.357 -1.496 -14.309 1.00 0.00 H new ATOM 0 HG22 THR A 95 -1.037 -1.137 -12.596 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.713 -1.233 -13.187 1.00 0.00 H new ATOM 1498 N GLY A 96 -0.668 3.339 -12.442 1.00 0.00 N ATOM 1499 CA GLY A 96 -0.243 4.743 -12.524 1.00 0.00 C ATOM 1500 C GLY A 96 0.266 5.183 -13.906 1.00 0.00 C ATOM 1501 O GLY A 96 0.323 4.394 -14.855 1.00 0.00 O ATOM 0 H GLY A 96 0.067 2.720 -12.099 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.082 5.379 -12.242 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.546 4.913 -11.791 1.00 0.00 H new ATOM 1505 N LYS A 97 0.665 6.459 -13.997 1.00 0.00 N ATOM 1506 CA LYS A 97 1.274 7.106 -15.178 1.00 0.00 C ATOM 1507 C LYS A 97 2.546 7.882 -14.797 1.00 0.00 C ATOM 1508 O LYS A 97 2.741 8.236 -13.631 1.00 0.00 O ATOM 1509 CB LYS A 97 0.248 8.028 -15.869 1.00 0.00 C ATOM 1510 CG LYS A 97 -0.939 7.256 -16.469 1.00 0.00 C ATOM 1511 CD LYS A 97 -1.881 8.196 -17.234 1.00 0.00 C ATOM 1512 CE LYS A 97 -3.050 7.402 -17.827 1.00 0.00 C ATOM 1513 NZ LYS A 97 -3.978 8.280 -18.586 1.00 0.00 N ATOM 0 H LYS A 97 0.569 7.104 -13.213 1.00 0.00 H new ATOM 0 HA LYS A 97 1.567 6.326 -15.881 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.125 8.754 -15.147 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.746 8.590 -16.659 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.570 6.481 -17.140 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.489 6.753 -15.673 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.259 8.969 -16.565 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.335 8.703 -18.030 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.665 6.623 -18.485 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.595 6.902 -17.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.757 7.710 -18.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.364 9.008 -17.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.463 8.738 -19.365 1.00 0.00 H new ATOM 1527 N GLY A 98 3.402 8.157 -15.783 1.00 0.00 N ATOM 1528 CA GLY A 98 4.714 8.793 -15.586 1.00 0.00 C ATOM 1529 C GLY A 98 5.776 7.852 -14.995 1.00 0.00 C ATOM 1530 O GLY A 98 5.569 6.639 -14.891 1.00 0.00 O ATOM 0 H GLY A 98 3.203 7.942 -16.760 1.00 0.00 H new ATOM 0 HA2 GLY A 98 5.071 9.173 -16.543 1.00 0.00 H new ATOM 0 HA3 GLY A 98 4.596 9.652 -14.926 1.00 0.00 H new ATOM 1534 N GLN A 99 6.932 8.409 -14.626 1.00 0.00 N ATOM 1535 CA GLN A 99 8.072 7.652 -14.085 1.00 0.00 C ATOM 1536 C GLN A 99 7.882 7.291 -12.599 1.00 0.00 C ATOM 1537 O GLN A 99 7.473 8.127 -11.788 1.00 0.00 O ATOM 1538 CB GLN A 99 9.381 8.433 -14.291 1.00 0.00 C ATOM 1539 CG GLN A 99 9.741 8.611 -15.779 1.00 0.00 C ATOM 1540 CD GLN A 99 11.068 9.340 -16.009 1.00 0.00 C ATOM 1541 OE1 GLN A 99 11.773 9.761 -15.099 1.00 0.00 O ATOM 1542 NE2 GLN A 99 11.467 9.525 -17.251 1.00 0.00 N ATOM 0 H GLN A 99 7.109 9.411 -14.694 1.00 0.00 H new ATOM 0 HA GLN A 99 8.128 6.713 -14.636 1.00 0.00 H new ATOM 0 HB2 GLN A 99 9.291 9.414 -13.824 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.194 7.912 -13.785 1.00 0.00 H new ATOM 0 HG2 GLN A 99 9.789 7.630 -16.252 1.00 0.00 H new ATOM 0 HG3 GLN A 99 8.942 9.164 -16.273 1.00 0.00 H new ATOM 0 HE21 GLN A 99 10.898 9.184 -18.026 1.00 0.00 H new ATOM 0 HE22 GLN A 99 12.345 10.009 -17.438 1.00 0.00 H new ATOM 1551 N ASP A 100 8.218 6.051 -12.237 1.00 0.00 N ATOM 1552 CA ASP A 100 8.227 5.520 -10.865 1.00 0.00 C ATOM 1553 C ASP A 100 9.237 4.356 -10.735 1.00 0.00 C ATOM 1554 O ASP A 100 9.649 3.764 -11.739 1.00 0.00 O ATOM 1555 CB ASP A 100 6.804 5.074 -10.478 1.00 0.00 C ATOM 1556 CG ASP A 100 6.668 4.645 -9.005 1.00 0.00 C ATOM 1557 OD1 ASP A 100 7.390 5.198 -8.138 1.00 0.00 O ATOM 1558 OD2 ASP A 100 5.837 3.752 -8.721 1.00 0.00 O ATOM 0 H ASP A 100 8.506 5.353 -12.923 1.00 0.00 H new ATOM 0 HA ASP A 100 8.545 6.304 -10.178 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.111 5.892 -10.674 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.507 4.243 -11.118 1.00 0.00 H new ATOM 1563 N GLY A 101 9.632 4.020 -9.505 1.00 0.00 N ATOM 1564 CA GLY A 101 10.642 3.001 -9.197 1.00 0.00 C ATOM 1565 C GLY A 101 12.094 3.498 -9.294 1.00 0.00 C ATOM 1566 O GLY A 101 12.397 4.477 -9.981 1.00 0.00 O ATOM 0 H GLY A 101 9.247 4.462 -8.670 1.00 0.00 H new ATOM 0 HA2 GLY A 101 10.466 2.625 -8.189 1.00 0.00 H new ATOM 0 HA3 GLY A 101 10.512 2.160 -9.878 1.00 0.00 H new ATOM 1570 N ILE A 102 12.998 2.816 -8.584 1.00 0.00 N ATOM 1571 CA ILE A 102 14.453 3.059 -8.594 1.00 0.00 C ATOM 1572 C ILE A 102 15.232 1.736 -8.480 1.00 0.00 C ATOM 1573 O ILE A 102 14.699 0.735 -8.000 1.00 0.00 O ATOM 1574 CB ILE A 102 14.822 4.122 -7.523 1.00 0.00 C ATOM 1575 CG1 ILE A 102 16.279 4.631 -7.580 1.00 0.00 C ATOM 1576 CG2 ILE A 102 14.545 3.665 -6.083 1.00 0.00 C ATOM 1577 CD1 ILE A 102 16.682 5.223 -8.934 1.00 0.00 C ATOM 0 H ILE A 102 12.733 2.052 -7.963 1.00 0.00 H new ATOM 0 HA ILE A 102 14.755 3.482 -9.552 1.00 0.00 H new ATOM 0 HB ILE A 102 14.159 4.945 -7.789 1.00 0.00 H new ATOM 0 HG12 ILE A 102 16.418 5.388 -6.808 1.00 0.00 H new ATOM 0 HG13 ILE A 102 16.950 3.806 -7.342 1.00 0.00 H new ATOM 0 HG21 ILE A 102 14.827 4.457 -5.389 1.00 0.00 H new ATOM 0 HG22 ILE A 102 13.484 3.443 -5.969 1.00 0.00 H new ATOM 0 HG23 ILE A 102 15.128 2.770 -5.867 1.00 0.00 H new ATOM 0 HD11 ILE A 102 17.719 5.557 -8.891 1.00 0.00 H new ATOM 0 HD12 ILE A 102 16.577 4.464 -9.709 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.037 6.070 -9.167 1.00 0.00 H new ATOM 1589 N GLY A 103 16.478 1.700 -8.960 1.00 0.00 N ATOM 1590 CA GLY A 103 17.338 0.509 -8.918 1.00 0.00 C ATOM 1591 C GLY A 103 17.981 0.260 -7.545 1.00 0.00 C ATOM 1592 O GLY A 103 18.304 1.199 -6.814 1.00 0.00 O ATOM 0 H GLY A 103 16.926 2.507 -9.395 1.00 0.00 H new ATOM 0 HA2 GLY A 103 16.748 -0.364 -9.197 1.00 0.00 H new ATOM 0 HA3 GLY A 103 18.125 0.614 -9.665 1.00 0.00 H new ATOM 1596 N SER A 104 18.193 -1.017 -7.208 1.00 0.00 N ATOM 1597 CA SER A 104 18.954 -1.480 -6.034 1.00 0.00 C ATOM 1598 C SER A 104 19.515 -2.894 -6.267 1.00 0.00 C ATOM 1599 O SER A 104 19.038 -3.616 -7.149 1.00 0.00 O ATOM 1600 CB SER A 104 18.063 -1.457 -4.785 1.00 0.00 C ATOM 1601 OG SER A 104 18.844 -1.677 -3.622 1.00 0.00 O ATOM 0 H SER A 104 17.826 -1.789 -7.765 1.00 0.00 H new ATOM 0 HA SER A 104 19.795 -0.803 -5.880 1.00 0.00 H new ATOM 0 HB2 SER A 104 17.551 -0.497 -4.712 1.00 0.00 H new ATOM 0 HB3 SER A 104 17.292 -2.224 -4.865 1.00 0.00 H new ATOM 0 HG SER A 104 18.266 -1.659 -2.831 1.00 0.00 H new ATOM 1607 N LYS A 105 20.531 -3.300 -5.491 1.00 0.00 N ATOM 1608 CA LYS A 105 21.190 -4.618 -5.578 1.00 0.00 C ATOM 1609 C LYS A 105 21.648 -5.116 -4.200 1.00 0.00 C ATOM 1610 O LYS A 105 22.135 -4.336 -3.380 1.00 0.00 O ATOM 1611 CB LYS A 105 22.373 -4.524 -6.570 1.00 0.00 C ATOM 1612 CG LYS A 105 22.903 -5.874 -7.090 1.00 0.00 C ATOM 1613 CD LYS A 105 21.933 -6.552 -8.074 1.00 0.00 C ATOM 1614 CE LYS A 105 22.427 -7.916 -8.579 1.00 0.00 C ATOM 1615 NZ LYS A 105 23.667 -7.816 -9.392 1.00 0.00 N ATOM 0 H LYS A 105 20.930 -2.706 -4.764 1.00 0.00 H new ATOM 0 HA LYS A 105 20.472 -5.351 -5.945 1.00 0.00 H new ATOM 0 HB2 LYS A 105 22.063 -3.921 -7.423 1.00 0.00 H new ATOM 0 HB3 LYS A 105 23.192 -3.993 -6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 105 23.863 -5.718 -7.582 1.00 0.00 H new ATOM 0 HG3 LYS A 105 23.082 -6.539 -6.245 1.00 0.00 H new ATOM 0 HD2 LYS A 105 20.966 -6.682 -7.588 1.00 0.00 H new ATOM 0 HD3 LYS A 105 21.774 -5.893 -8.928 1.00 0.00 H new ATOM 0 HE2 LYS A 105 22.609 -8.570 -7.726 1.00 0.00 H new ATOM 0 HE3 LYS A 105 21.643 -8.382 -9.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 23.814 -8.705 -9.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 23.577 -7.031 -10.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 24.479 -7.642 -8.766 1.00 0.00 H new ATOM 1629 N ALA A 106 21.555 -6.429 -3.970 1.00 0.00 N ATOM 1630 CA ALA A 106 21.938 -7.092 -2.715 1.00 0.00 C ATOM 1631 C ALA A 106 23.459 -7.239 -2.492 1.00 0.00 C ATOM 1632 O ALA A 106 23.888 -7.766 -1.464 1.00 0.00 O ATOM 1633 CB ALA A 106 21.205 -8.440 -2.652 1.00 0.00 C ATOM 0 H ALA A 106 21.201 -7.081 -4.670 1.00 0.00 H new ATOM 0 HA ALA A 106 21.633 -6.448 -1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 106 21.471 -8.956 -1.729 1.00 0.00 H new ATOM 0 HB2 ALA A 106 20.129 -8.270 -2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 106 21.495 -9.052 -3.506 1.00 0.00 H new ATOM 1639 N GLU A 107 24.286 -6.763 -3.428 1.00 0.00 N ATOM 1640 CA GLU A 107 25.753 -6.799 -3.331 1.00 0.00 C ATOM 1641 C GLU A 107 26.354 -5.626 -2.522 1.00 0.00 C ATOM 1642 O GLU A 107 27.555 -5.629 -2.234 1.00 0.00 O ATOM 1643 CB GLU A 107 26.360 -6.858 -4.744 1.00 0.00 C ATOM 1644 CG GLU A 107 25.998 -8.148 -5.494 1.00 0.00 C ATOM 1645 CD GLU A 107 26.624 -8.157 -6.900 1.00 0.00 C ATOM 1646 OE1 GLU A 107 27.770 -8.645 -7.062 1.00 0.00 O ATOM 1647 OE2 GLU A 107 25.962 -7.684 -7.855 1.00 0.00 O ATOM 0 H GLU A 107 23.951 -6.334 -4.291 1.00 0.00 H new ATOM 0 HA GLU A 107 26.012 -7.699 -2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 107 26.014 -5.999 -5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 107 27.445 -6.777 -4.672 1.00 0.00 H new ATOM 0 HG2 GLU A 107 26.348 -9.012 -4.930 1.00 0.00 H new ATOM 0 HG3 GLU A 107 24.914 -8.236 -5.573 1.00 0.00 H new ATOM 1654 N LYS A 108 25.535 -4.630 -2.149 1.00 0.00 N ATOM 1655 CA LYS A 108 25.925 -3.456 -1.346 1.00 0.00 C ATOM 1656 C LYS A 108 26.173 -3.815 0.130 1.00 0.00 C ATOM 1657 O LYS A 108 27.267 -3.489 0.645 1.00 0.00 O ATOM 1658 CB LYS A 108 24.864 -2.355 -1.524 1.00 0.00 C ATOM 1659 CG LYS A 108 25.286 -1.028 -0.868 1.00 0.00 C ATOM 1660 CD LYS A 108 24.233 0.081 -1.014 1.00 0.00 C ATOM 1661 CE LYS A 108 24.034 0.509 -2.475 1.00 0.00 C ATOM 1662 NZ LYS A 108 23.070 1.635 -2.587 1.00 0.00 N ATOM 1663 OXT LYS A 108 25.276 -4.412 0.771 1.00 0.00 O ATOM 0 H LYS A 108 24.548 -4.618 -2.406 1.00 0.00 H new ATOM 0 HA LYS A 108 26.881 -3.077 -1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 108 24.687 -2.192 -2.587 1.00 0.00 H new ATOM 0 HB3 LYS A 108 23.921 -2.688 -1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 108 25.480 -1.199 0.191 1.00 0.00 H new ATOM 0 HG3 LYS A 108 26.222 -0.692 -1.313 1.00 0.00 H new ATOM 0 HD2 LYS A 108 23.283 -0.267 -0.608 1.00 0.00 H new ATOM 0 HD3 LYS A 108 24.535 0.945 -0.423 1.00 0.00 H new ATOM 0 HE2 LYS A 108 24.992 0.805 -2.902 1.00 0.00 H new ATOM 0 HE3 LYS A 108 23.674 -0.339 -3.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 22.959 1.899 -3.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 22.149 1.343 -2.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 23.426 2.452 -2.051 1.00 0.00 H new TER 1677 LYS A 108 HETATM 1678 ZN ZN A 109 6.842 -2.884 -8.010 1.00 0.00 ZN