USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 SER OG : rot -64:sc= 0.189 USER MOD Set 1.2: A 75 HIS :FLIP no HE2:sc= -0.358 F(o=-1.3,f=-0.17) USER MOD Set 2.1: A 40 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 15 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 31 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0494) USER MOD Set 4.1: A 10 SER OG : rot 180:sc= 0.941 USER MOD Set 4.2: A 99 SER OG : rot 48:sc= 1.19 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 160:sc= 0.00214 (180deg=-0.124) USER MOD Single : A 13 LYS NZ :NH3+ -165:sc=-0.00678 (180deg=-0.156) USER MOD Single : A 18 LYS NZ :NH3+ -153:sc= -0.15 (180deg=-0.566) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.0351 K(o=0.035,f=-2.6!) USER MOD Single : A 32 CYS SG : rot 12:sc= -1.45 USER MOD Single : A 33 SER OG : rot -23:sc= 0.46 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.22) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -1.5 F(o=-5.4!,f=-1.5) USER MOD Single : A 57 THR OG1 : rot -33:sc= 0.841 USER MOD Single : A 58 CYS SG : rot 85:sc= -1.22 USER MOD Single : A 59 GLN : amide:sc= -0.0539 K(o=-0.054,f=-1.9!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -3.94! C(o=-3.9!,f=-8.6!) USER MOD Single : A 67 LYS NZ :NH3+ -101:sc= -0.357 (180deg=-0.576) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 36:sc= 0.612 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.945 USER MOD Single : A 80 HIS : no HE2:sc= 1.04 K(o=1,f=-3.8!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= -0.065 K(o=-0.065,f=-1.5!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 82:sc= 0.348 USER MOD Single : A 97 THR OG1 : rot 107:sc= 1.24 USER MOD Single : A 98 ASN : amide:sc= -3.06! C(o=-3.1!,f=-4.2!) USER MOD Single : A 100 LYS NZ :NH3+ 167:sc= -0.254 (180deg=-0.384) USER MOD Single : A 105 THR OG1 : rot -42:sc= 0.00943 USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -13.579 -3.044 2.962 1.00 0.00 N ATOM 67 CA TYR A 8 -12.948 -4.167 3.645 1.00 0.00 C ATOM 68 C TYR A 8 -12.070 -3.680 4.794 1.00 0.00 C ATOM 69 O TYR A 8 -12.066 -4.262 5.878 1.00 0.00 O ATOM 70 CB TYR A 8 -12.111 -4.986 2.661 1.00 0.00 C ATOM 71 CG TYR A 8 -12.924 -5.963 1.842 1.00 0.00 C ATOM 72 CD1 TYR A 8 -13.935 -5.520 0.998 1.00 0.00 C ATOM 73 CD2 TYR A 8 -12.681 -7.329 1.913 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.680 -6.409 0.248 1.00 0.00 C ATOM 75 CE2 TYR A 8 -13.421 -8.225 1.166 1.00 0.00 C ATOM 76 CZ TYR A 8 -14.420 -7.761 0.336 1.00 0.00 C ATOM 77 OH TYR A 8 -15.159 -8.650 -0.410 1.00 0.00 O ATOM 0 HA TYR A 8 -13.736 -4.799 4.055 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -11.589 -4.306 1.987 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -11.349 -5.535 3.214 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.142 -4.462 0.927 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.901 -7.697 2.563 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -15.462 -6.048 -0.404 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.218 -9.284 1.232 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.849 -9.563 -0.233 1.00 0.00 H new ATOM 87 N GLY A 9 -11.326 -2.606 4.548 1.00 0.00 N ATOM 88 CA GLY A 9 -10.454 -2.057 5.570 1.00 0.00 C ATOM 89 C GLY A 9 -9.064 -1.755 5.046 1.00 0.00 C ATOM 90 O GLY A 9 -8.590 -2.406 4.114 1.00 0.00 O ATOM 0 H GLY A 9 -11.312 -2.106 3.659 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.896 -1.143 5.967 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.381 -2.762 6.398 1.00 0.00 H new ATOM 94 N SER A 10 -8.410 -0.765 5.644 1.00 0.00 N ATOM 95 CA SER A 10 -7.068 -0.374 5.228 1.00 0.00 C ATOM 96 C SER A 10 -6.010 -1.077 6.073 1.00 0.00 C ATOM 97 O SER A 10 -4.857 -1.205 5.663 1.00 0.00 O ATOM 98 CB SER A 10 -6.899 1.142 5.336 1.00 0.00 C ATOM 99 OG SER A 10 -5.547 1.488 5.583 1.00 0.00 O ATOM 0 H SER A 10 -8.787 -0.219 6.418 1.00 0.00 H new ATOM 0 HA SER A 10 -6.935 -0.674 4.189 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.236 1.615 4.414 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.528 1.525 6.139 1.00 0.00 H new ATOM 0 HG SER A 10 -5.465 2.463 5.646 1.00 0.00 H new ATOM 105 N GLU A 11 -6.413 -1.531 7.257 1.00 0.00 N ATOM 106 CA GLU A 11 -5.500 -2.220 8.161 1.00 0.00 C ATOM 107 C GLU A 11 -5.885 -3.689 8.306 1.00 0.00 C ATOM 108 O GLU A 11 -7.052 -4.020 8.517 1.00 0.00 O ATOM 109 CB GLU A 11 -5.500 -1.543 9.533 1.00 0.00 C ATOM 110 CG GLU A 11 -5.139 -0.068 9.485 1.00 0.00 C ATOM 111 CD GLU A 11 -5.516 0.667 10.757 1.00 0.00 C ATOM 112 OE1 GLU A 11 -4.878 0.412 11.800 1.00 0.00 O ATOM 113 OE2 GLU A 11 -6.449 1.496 10.710 1.00 0.00 O ATOM 0 H GLU A 11 -7.365 -1.434 7.611 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.497 -2.165 7.737 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.487 -1.652 9.982 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.795 -2.060 10.184 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.067 0.034 9.315 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.642 0.398 8.638 1.00 0.00 H new ATOM 120 N LYS A 12 -4.895 -4.568 8.191 1.00 0.00 N ATOM 121 CA LYS A 12 -5.126 -6.002 8.310 1.00 0.00 C ATOM 122 C LYS A 12 -3.834 -6.736 8.655 1.00 0.00 C ATOM 123 O LYS A 12 -2.819 -6.580 7.975 1.00 0.00 O ATOM 124 CB LYS A 12 -5.707 -6.556 7.006 1.00 0.00 C ATOM 125 CG LYS A 12 -5.647 -8.070 6.909 1.00 0.00 C ATOM 126 CD LYS A 12 -6.779 -8.619 6.057 1.00 0.00 C ATOM 127 CE LYS A 12 -6.406 -9.952 5.426 1.00 0.00 C ATOM 128 NZ LYS A 12 -7.608 -10.777 5.122 1.00 0.00 N ATOM 0 H LYS A 12 -3.924 -4.311 8.015 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.841 -6.163 9.117 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.745 -6.235 6.915 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.165 -6.125 6.164 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.690 -8.371 6.482 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.700 -8.502 7.908 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.671 -8.743 6.671 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.028 -7.902 5.275 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.845 -9.775 4.508 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.749 -10.502 6.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.365 -11.495 4.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.935 -11.247 5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.364 -10.166 4.753 1.00 0.00 H new ATOM 142 N LYS A 13 -3.878 -7.536 9.715 1.00 0.00 N ATOM 143 CA LYS A 13 -2.712 -8.296 10.149 1.00 0.00 C ATOM 144 C LYS A 13 -2.982 -9.795 10.077 1.00 0.00 C ATOM 145 O LYS A 13 -4.005 -10.276 10.564 1.00 0.00 O ATOM 146 CB LYS A 13 -2.325 -7.905 11.577 1.00 0.00 C ATOM 147 CG LYS A 13 -1.910 -6.450 11.718 1.00 0.00 C ATOM 148 CD LYS A 13 -1.747 -6.056 13.176 1.00 0.00 C ATOM 149 CE LYS A 13 -1.100 -4.686 13.314 1.00 0.00 C ATOM 150 NZ LYS A 13 0.336 -4.709 12.922 1.00 0.00 N ATOM 0 H LYS A 13 -4.709 -7.675 10.290 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.886 -8.061 9.478 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.169 -8.099 12.239 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.505 -8.542 11.910 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.972 -6.285 11.189 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.657 -5.810 11.249 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.722 -6.050 13.664 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.138 -6.800 13.689 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.635 -3.968 12.693 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.190 -4.344 14.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.803 -3.844 13.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.798 -5.540 13.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.412 -4.758 11.886 1.00 0.00 H new ATOM 164 N GLY A 14 -2.057 -10.531 9.468 1.00 0.00 N ATOM 165 CA GLY A 14 -2.214 -11.968 9.345 1.00 0.00 C ATOM 166 C GLY A 14 -0.989 -12.637 8.754 1.00 0.00 C ATOM 167 O GLY A 14 0.143 -12.268 9.072 1.00 0.00 O ATOM 0 H GLY A 14 -1.201 -10.157 9.058 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.418 -12.393 10.328 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.080 -12.183 8.719 1.00 0.00 H new ATOM 171 N TYR A 15 -1.212 -13.623 7.893 1.00 0.00 N ATOM 172 CA TYR A 15 -0.117 -14.348 7.259 1.00 0.00 C ATOM 173 C TYR A 15 -0.359 -14.499 5.760 1.00 0.00 C ATOM 174 O TYR A 15 -1.499 -14.448 5.295 1.00 0.00 O ATOM 175 CB TYR A 15 0.050 -15.726 7.901 1.00 0.00 C ATOM 176 CG TYR A 15 0.907 -15.713 9.147 1.00 0.00 C ATOM 177 CD1 TYR A 15 0.521 -14.994 10.272 1.00 0.00 C ATOM 178 CD2 TYR A 15 2.103 -16.418 9.198 1.00 0.00 C ATOM 179 CE1 TYR A 15 1.301 -14.979 11.412 1.00 0.00 C ATOM 180 CE2 TYR A 15 2.888 -16.410 10.335 1.00 0.00 C ATOM 181 CZ TYR A 15 2.484 -15.689 11.439 1.00 0.00 C ATOM 182 OH TYR A 15 3.264 -15.677 12.572 1.00 0.00 O ATOM 0 H TYR A 15 -2.142 -13.939 7.618 1.00 0.00 H new ATOM 0 HA TYR A 15 0.798 -13.773 7.405 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.934 -16.123 8.151 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.492 -16.406 7.173 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.404 -14.438 10.255 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.424 -16.982 8.335 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.987 -14.415 12.278 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.814 -16.966 10.359 1.00 0.00 H new ATOM 0 HH TYR A 15 4.061 -16.228 12.426 1.00 0.00 H new ATOM 192 N LEU A 16 0.720 -14.685 5.009 1.00 0.00 N ATOM 193 CA LEU A 16 0.627 -14.845 3.562 1.00 0.00 C ATOM 194 C LEU A 16 1.801 -15.660 3.028 1.00 0.00 C ATOM 195 O LEU A 16 2.859 -15.729 3.655 1.00 0.00 O ATOM 196 CB LEU A 16 0.589 -13.477 2.879 1.00 0.00 C ATOM 197 CG LEU A 16 -0.799 -12.872 2.667 1.00 0.00 C ATOM 198 CD1 LEU A 16 -0.686 -11.431 2.193 1.00 0.00 C ATOM 199 CD2 LEU A 16 -1.596 -13.702 1.671 1.00 0.00 C ATOM 0 H LEU A 16 1.670 -14.729 5.378 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.295 -15.381 3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.181 -12.780 3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.078 -13.564 1.909 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.327 -12.879 3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.684 -11.017 2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.154 -10.843 2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.139 -11.400 1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.581 -13.257 1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.071 -13.727 0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.707 -14.718 2.050 1.00 0.00 H new ATOM 211 N LEU A 17 1.608 -16.274 1.866 1.00 0.00 N ATOM 212 CA LEU A 17 2.651 -17.083 1.245 1.00 0.00 C ATOM 213 C LEU A 17 3.650 -16.204 0.498 1.00 0.00 C ATOM 214 O LEU A 17 3.279 -15.192 -0.098 1.00 0.00 O ATOM 215 CB LEU A 17 2.032 -18.100 0.285 1.00 0.00 C ATOM 216 CG LEU A 17 1.231 -19.231 0.931 1.00 0.00 C ATOM 217 CD1 LEU A 17 0.384 -19.947 -0.110 1.00 0.00 C ATOM 218 CD2 LEU A 17 2.161 -20.211 1.630 1.00 0.00 C ATOM 0 H LEU A 17 0.739 -16.227 1.335 1.00 0.00 H new ATOM 0 HA LEU A 17 3.182 -17.615 2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.378 -17.567 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.832 -18.542 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 17 0.564 -18.798 1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.179 -20.749 0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.308 -19.239 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.032 -20.367 -0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.574 -21.009 2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.853 -20.638 0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.724 -19.689 2.404 1.00 0.00 H new ATOM 230 N LYS A 18 4.918 -16.597 0.533 1.00 0.00 N ATOM 231 CA LYS A 18 5.971 -15.849 -0.143 1.00 0.00 C ATOM 232 C LYS A 18 6.960 -16.791 -0.822 1.00 0.00 C ATOM 233 O LYS A 18 7.426 -17.758 -0.219 1.00 0.00 O ATOM 234 CB LYS A 18 6.708 -14.952 0.854 1.00 0.00 C ATOM 235 CG LYS A 18 7.416 -13.774 0.205 1.00 0.00 C ATOM 236 CD LYS A 18 7.891 -12.770 1.242 1.00 0.00 C ATOM 237 CE LYS A 18 9.103 -11.994 0.750 1.00 0.00 C ATOM 238 NZ LYS A 18 10.288 -12.876 0.560 1.00 0.00 N ATOM 0 H LYS A 18 5.242 -17.431 1.023 1.00 0.00 H new ATOM 0 HA LYS A 18 5.506 -15.227 -0.908 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.995 -14.577 1.588 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.440 -15.551 1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.268 -14.133 -0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.741 -13.283 -0.496 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.083 -12.076 1.475 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.141 -13.290 2.166 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.861 -11.503 -0.193 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.346 -11.209 1.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.158 -12.318 0.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.269 -13.640 1.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.266 -13.286 -0.395 1.00 0.00 H new ATOM 252 N LYS A 19 7.276 -16.504 -2.080 1.00 0.00 N ATOM 253 CA LYS A 19 8.212 -17.324 -2.841 1.00 0.00 C ATOM 254 C LYS A 19 9.559 -17.413 -2.131 1.00 0.00 C ATOM 255 O LYS A 19 9.983 -16.470 -1.463 1.00 0.00 O ATOM 256 CB LYS A 19 8.401 -16.748 -4.246 1.00 0.00 C ATOM 257 CG LYS A 19 8.979 -17.742 -5.238 1.00 0.00 C ATOM 258 CD LYS A 19 7.885 -18.542 -5.927 1.00 0.00 C ATOM 259 CE LYS A 19 7.180 -17.718 -6.993 1.00 0.00 C ATOM 260 NZ LYS A 19 6.633 -18.573 -8.083 1.00 0.00 N ATOM 0 H LYS A 19 6.897 -15.709 -2.595 1.00 0.00 H new ATOM 0 HA LYS A 19 7.796 -18.328 -2.920 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.439 -16.395 -4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.059 -15.881 -4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.568 -17.211 -5.985 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.657 -18.421 -4.721 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.316 -19.434 -6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.159 -18.880 -5.187 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.370 -17.150 -6.536 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.879 -16.995 -7.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.160 -17.974 -8.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.409 -19.097 -8.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.947 -19.246 -7.685 1.00 0.00 H new ATOM 385 N TRP A 27 6.860 -21.951 -2.764 1.00 0.00 N ATOM 386 CA TRP A 27 6.047 -21.080 -1.923 1.00 0.00 C ATOM 387 C TRP A 27 6.161 -21.480 -0.456 1.00 0.00 C ATOM 388 O TRP A 27 6.053 -22.657 -0.115 1.00 0.00 O ATOM 389 CB TRP A 27 4.584 -21.130 -2.366 1.00 0.00 C ATOM 390 CG TRP A 27 4.329 -20.409 -3.655 1.00 0.00 C ATOM 391 CD1 TRP A 27 4.300 -20.955 -4.907 1.00 0.00 C ATOM 392 CD2 TRP A 27 4.069 -19.011 -3.818 1.00 0.00 C ATOM 393 NE1 TRP A 27 4.038 -19.980 -5.838 1.00 0.00 N ATOM 394 CE2 TRP A 27 3.891 -18.778 -5.196 1.00 0.00 C ATOM 395 CE3 TRP A 27 3.968 -17.933 -2.935 1.00 0.00 C ATOM 396 CZ2 TRP A 27 3.619 -17.513 -5.708 1.00 0.00 C ATOM 397 CZ3 TRP A 27 3.698 -16.677 -3.445 1.00 0.00 C ATOM 398 CH2 TRP A 27 3.525 -16.475 -4.821 1.00 0.00 C ATOM 0 HA TRP A 27 6.418 -20.061 -2.032 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.280 -22.171 -2.474 1.00 0.00 H new ATOM 0 HB3 TRP A 27 3.960 -20.695 -1.585 1.00 0.00 H new ATOM 0 HD1 TRP A 27 4.460 -21.999 -5.131 1.00 0.00 H new ATOM 0 HE1 TRP A 27 3.965 -20.127 -6.845 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.099 -18.078 -1.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 3.487 -17.356 -6.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.619 -15.837 -2.771 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.314 -15.482 -5.188 1.00 0.00 H new ATOM 409 N GLN A 28 6.379 -20.493 0.407 1.00 0.00 N ATOM 410 CA GLN A 28 6.508 -20.744 1.838 1.00 0.00 C ATOM 411 C GLN A 28 5.708 -19.725 2.643 1.00 0.00 C ATOM 412 O GLN A 28 5.717 -18.533 2.338 1.00 0.00 O ATOM 413 CB GLN A 28 7.979 -20.699 2.254 1.00 0.00 C ATOM 414 CG GLN A 28 8.716 -19.467 1.754 1.00 0.00 C ATOM 415 CD GLN A 28 9.891 -19.092 2.634 1.00 0.00 C ATOM 416 OE1 GLN A 28 9.721 -18.757 3.807 1.00 0.00 O ATOM 417 NE2 GLN A 28 11.093 -19.145 2.073 1.00 0.00 N ATOM 0 H GLN A 28 6.470 -19.513 0.141 1.00 0.00 H new ATOM 0 HA GLN A 28 6.110 -21.737 2.045 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.041 -20.733 3.342 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.482 -21.590 1.878 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.070 -19.647 0.739 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.022 -18.628 1.705 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.189 -19.428 1.098 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.921 -18.903 2.617 1.00 0.00 H new ATOM 426 N ARG A 29 5.016 -20.204 3.672 1.00 0.00 N ATOM 427 CA ARG A 29 4.209 -19.335 4.520 1.00 0.00 C ATOM 428 C ARG A 29 5.078 -18.286 5.207 1.00 0.00 C ATOM 429 O ARG A 29 6.184 -18.581 5.659 1.00 0.00 O ATOM 430 CB ARG A 29 3.463 -20.161 5.570 1.00 0.00 C ATOM 431 CG ARG A 29 2.547 -19.335 6.457 1.00 0.00 C ATOM 432 CD ARG A 29 1.704 -20.218 7.364 1.00 0.00 C ATOM 433 NE ARG A 29 0.687 -19.453 8.081 1.00 0.00 N ATOM 434 CZ ARG A 29 -0.034 -19.947 9.082 1.00 0.00 C ATOM 435 NH1 ARG A 29 0.150 -21.198 9.482 1.00 0.00 N ATOM 436 NH2 ARG A 29 -0.941 -19.189 9.684 1.00 0.00 N ATOM 0 H ARG A 29 4.998 -21.188 3.938 1.00 0.00 H new ATOM 0 HA ARG A 29 3.484 -18.824 3.887 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.873 -20.926 5.066 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.190 -20.679 6.196 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.144 -18.653 7.063 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.894 -18.721 5.836 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.222 -20.993 6.769 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.351 -20.723 8.082 1.00 0.00 H new ATOM 0 HE ARG A 29 0.521 -18.487 7.798 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.846 -21.784 9.021 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.405 -21.575 10.251 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.085 -18.227 9.379 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.494 -19.569 10.452 1.00 0.00 H new ATOM 450 N ARG A 30 4.570 -17.060 5.281 1.00 0.00 N ATOM 451 CA ARG A 30 5.300 -15.967 5.911 1.00 0.00 C ATOM 452 C ARG A 30 4.339 -14.955 6.528 1.00 0.00 C ATOM 453 O ARG A 30 3.344 -14.572 5.912 1.00 0.00 O ATOM 454 CB ARG A 30 6.202 -15.273 4.890 1.00 0.00 C ATOM 455 CG ARG A 30 7.140 -14.246 5.503 1.00 0.00 C ATOM 456 CD ARG A 30 8.234 -14.911 6.323 1.00 0.00 C ATOM 457 NE ARG A 30 9.186 -15.633 5.483 1.00 0.00 N ATOM 458 CZ ARG A 30 10.397 -15.996 5.889 1.00 0.00 C ATOM 459 NH1 ARG A 30 10.803 -15.705 7.117 1.00 0.00 N ATOM 460 NH2 ARG A 30 11.206 -16.651 5.066 1.00 0.00 N ATOM 0 H ARG A 30 3.655 -16.799 4.912 1.00 0.00 H new ATOM 0 HA ARG A 30 5.917 -16.386 6.705 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.793 -16.026 4.369 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.579 -14.783 4.142 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.590 -13.645 4.713 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.572 -13.565 6.137 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.763 -14.154 6.903 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.784 -15.601 7.036 1.00 0.00 H new ATOM 0 HE ARG A 30 8.905 -15.872 4.532 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.185 -15.201 7.753 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.734 -15.985 7.426 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.898 -16.876 4.120 1.00 0.00 H new ATOM 0 HH22 ARG A 30 12.136 -16.929 5.379 1.00 0.00 H new ATOM 474 N LYS A 31 4.642 -14.526 7.748 1.00 0.00 N ATOM 475 CA LYS A 31 3.807 -13.558 8.449 1.00 0.00 C ATOM 476 C LYS A 31 3.782 -12.224 7.709 1.00 0.00 C ATOM 477 O LYS A 31 4.825 -11.704 7.313 1.00 0.00 O ATOM 478 CB LYS A 31 4.318 -13.351 9.877 1.00 0.00 C ATOM 479 CG LYS A 31 3.457 -12.410 10.701 1.00 0.00 C ATOM 480 CD LYS A 31 4.149 -12.009 11.993 1.00 0.00 C ATOM 481 CE LYS A 31 3.229 -11.192 12.887 1.00 0.00 C ATOM 482 NZ LYS A 31 2.163 -12.031 13.501 1.00 0.00 N ATOM 0 H LYS A 31 5.461 -14.834 8.273 1.00 0.00 H new ATOM 0 HA LYS A 31 2.792 -13.952 8.487 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.369 -14.317 10.379 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.334 -12.959 9.837 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.229 -11.518 10.117 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.507 -12.892 10.931 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.475 -12.903 12.525 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.044 -11.430 11.763 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.815 -10.717 13.674 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.771 -10.393 12.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.664 -11.481 14.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.488 -12.327 12.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.591 -12.873 13.936 1.00 0.00 H new ATOM 496 N CYS A 32 2.585 -11.677 7.528 1.00 0.00 N ATOM 497 CA CYS A 32 2.424 -10.403 6.836 1.00 0.00 C ATOM 498 C CYS A 32 1.488 -9.479 7.607 1.00 0.00 C ATOM 499 O CYS A 32 0.681 -9.933 8.419 1.00 0.00 O ATOM 500 CB CYS A 32 1.886 -10.630 5.422 1.00 0.00 C ATOM 501 SG CYS A 32 3.115 -11.263 4.257 1.00 0.00 S ATOM 0 H CYS A 32 1.712 -12.095 7.850 1.00 0.00 H new ATOM 0 HA CYS A 32 3.403 -9.927 6.772 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.052 -11.331 5.470 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.490 -9.689 5.040 1.00 0.00 H new ATOM 0 HG CYS A 32 4.172 -11.649 4.908 1.00 0.00 H new ATOM 507 N SER A 33 1.601 -8.180 7.350 1.00 0.00 N ATOM 508 CA SER A 33 0.768 -7.191 8.024 1.00 0.00 C ATOM 509 C SER A 33 0.684 -5.904 7.209 1.00 0.00 C ATOM 510 O SER A 33 1.579 -5.595 6.422 1.00 0.00 O ATOM 511 CB SER A 33 1.324 -6.890 9.417 1.00 0.00 C ATOM 512 OG SER A 33 1.498 -8.081 10.165 1.00 0.00 O ATOM 0 H SER A 33 2.262 -7.788 6.679 1.00 0.00 H new ATOM 0 HA SER A 33 -0.236 -7.604 8.122 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.278 -6.371 9.327 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.646 -6.221 9.946 1.00 0.00 H new ATOM 0 HG SER A 33 0.914 -8.781 9.806 1.00 0.00 H new ATOM 518 N VAL A 34 -0.399 -5.158 7.403 1.00 0.00 N ATOM 519 CA VAL A 34 -0.601 -3.904 6.687 1.00 0.00 C ATOM 520 C VAL A 34 -1.236 -2.852 7.590 1.00 0.00 C ATOM 521 O VAL A 34 -2.308 -3.070 8.156 1.00 0.00 O ATOM 522 CB VAL A 34 -1.489 -4.103 5.445 1.00 0.00 C ATOM 523 CG1 VAL A 34 -2.202 -2.809 5.085 1.00 0.00 C ATOM 524 CG2 VAL A 34 -0.661 -4.609 4.273 1.00 0.00 C ATOM 0 H VAL A 34 -1.150 -5.400 8.050 1.00 0.00 H new ATOM 0 HA VAL A 34 0.383 -3.559 6.369 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.245 -4.854 5.677 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.825 -2.969 4.205 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.828 -2.494 5.920 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.465 -2.035 4.872 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.305 -4.744 3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.118 -3.884 4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.202 -5.562 4.536 1.00 0.00 H new ATOM 534 N LYS A 35 -0.569 -1.711 7.719 1.00 0.00 N ATOM 535 CA LYS A 35 -1.069 -0.623 8.552 1.00 0.00 C ATOM 536 C LYS A 35 -0.389 0.695 8.190 1.00 0.00 C ATOM 537 O LYS A 35 0.781 0.717 7.812 1.00 0.00 O ATOM 538 CB LYS A 35 -0.839 -0.938 10.031 1.00 0.00 C ATOM 539 CG LYS A 35 -1.000 0.267 10.942 1.00 0.00 C ATOM 540 CD LYS A 35 -0.683 -0.081 12.387 1.00 0.00 C ATOM 541 CE LYS A 35 0.811 -0.008 12.663 1.00 0.00 C ATOM 542 NZ LYS A 35 1.115 -0.155 14.113 1.00 0.00 N ATOM 0 H LYS A 35 0.319 -1.515 7.258 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.139 -0.522 8.371 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.539 -1.714 10.342 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.164 -1.345 10.155 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.342 1.068 10.607 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.021 0.643 10.873 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.211 0.603 13.051 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.046 -1.084 12.609 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.322 -0.791 12.104 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.200 0.945 12.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.143 -0.100 14.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.648 0.607 14.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.766 -1.075 14.449 1.00 0.00 H new ATOM 556 N ASN A 36 -1.132 1.791 8.311 1.00 0.00 N ATOM 557 CA ASN A 36 -0.600 3.112 7.998 1.00 0.00 C ATOM 558 C ASN A 36 -0.021 3.145 6.587 1.00 0.00 C ATOM 559 O ASN A 36 0.851 3.957 6.281 1.00 0.00 O ATOM 560 CB ASN A 36 0.477 3.505 9.012 1.00 0.00 C ATOM 561 CG ASN A 36 -0.111 4.091 10.281 1.00 0.00 C ATOM 562 OD1 ASN A 36 -0.923 5.016 10.233 1.00 0.00 O ATOM 563 ND2 ASN A 36 0.298 3.555 11.426 1.00 0.00 N ATOM 0 H ASN A 36 -2.103 1.790 8.623 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.420 3.828 8.052 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.074 2.628 9.262 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.152 4.231 8.558 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.062 3.909 12.312 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.972 2.790 11.419 1.00 0.00 H new ATOM 570 N GLY A 37 -0.514 2.256 5.730 1.00 0.00 N ATOM 571 CA GLY A 37 -0.035 2.201 4.361 1.00 0.00 C ATOM 572 C GLY A 37 1.331 1.553 4.251 1.00 0.00 C ATOM 573 O GLY A 37 2.109 1.879 3.353 1.00 0.00 O ATOM 0 H GLY A 37 -1.236 1.573 5.959 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.748 1.645 3.752 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.012 3.211 3.955 1.00 0.00 H new ATOM 577 N ILE A 38 1.625 0.636 5.167 1.00 0.00 N ATOM 578 CA ILE A 38 2.907 -0.057 5.168 1.00 0.00 C ATOM 579 C ILE A 38 2.717 -1.564 5.303 1.00 0.00 C ATOM 580 O ILE A 38 1.934 -2.030 6.132 1.00 0.00 O ATOM 581 CB ILE A 38 3.814 0.439 6.310 1.00 0.00 C ATOM 582 CG1 ILE A 38 3.888 1.967 6.305 1.00 0.00 C ATOM 583 CG2 ILE A 38 5.205 -0.164 6.181 1.00 0.00 C ATOM 584 CD1 ILE A 38 4.544 2.537 5.067 1.00 0.00 C ATOM 0 H ILE A 38 0.993 0.356 5.917 1.00 0.00 H new ATOM 0 HA ILE A 38 3.385 0.163 4.213 1.00 0.00 H new ATOM 0 HB ILE A 38 3.386 0.118 7.260 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.880 2.372 6.391 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.440 2.299 7.184 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.834 0.196 6.995 1.00 0.00 H new ATOM 0 HG22 ILE A 38 5.136 -1.251 6.229 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.642 0.130 5.227 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.561 3.625 5.133 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.564 2.162 4.990 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.979 2.236 4.185 1.00 0.00 H new ATOM 596 N LEU A 39 3.439 -2.322 4.485 1.00 0.00 N ATOM 597 CA LEU A 39 3.352 -3.777 4.514 1.00 0.00 C ATOM 598 C LEU A 39 4.587 -4.384 5.173 1.00 0.00 C ATOM 599 O LEU A 39 5.640 -4.509 4.547 1.00 0.00 O ATOM 600 CB LEU A 39 3.195 -4.327 3.095 1.00 0.00 C ATOM 601 CG LEU A 39 3.439 -5.827 2.925 1.00 0.00 C ATOM 602 CD1 LEU A 39 2.368 -6.627 3.649 1.00 0.00 C ATOM 603 CD2 LEU A 39 3.479 -6.197 1.449 1.00 0.00 C ATOM 0 H LEU A 39 4.091 -1.952 3.793 1.00 0.00 H new ATOM 0 HA LEU A 39 2.477 -4.052 5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.186 -4.102 2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.883 -3.791 2.441 1.00 0.00 H new ATOM 0 HG LEU A 39 4.405 -6.071 3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.558 -7.692 3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.388 -6.384 4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.389 -6.379 3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.654 -7.268 1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.528 -5.938 0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.284 -5.650 0.958 1.00 0.00 H new ATOM 615 N THR A 40 4.450 -4.762 6.440 1.00 0.00 N ATOM 616 CA THR A 40 5.554 -5.356 7.183 1.00 0.00 C ATOM 617 C THR A 40 5.642 -6.857 6.931 1.00 0.00 C ATOM 618 O THR A 40 4.632 -7.561 6.960 1.00 0.00 O ATOM 619 CB THR A 40 5.409 -5.110 8.697 1.00 0.00 C ATOM 620 OG1 THR A 40 5.230 -3.712 8.951 1.00 0.00 O ATOM 621 CG2 THR A 40 6.632 -5.615 9.447 1.00 0.00 C ATOM 0 H THR A 40 3.585 -4.667 6.973 1.00 0.00 H new ATOM 0 HA THR A 40 6.467 -4.876 6.829 1.00 0.00 H new ATOM 0 HB THR A 40 4.535 -5.658 9.050 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.137 -3.564 9.915 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.506 -5.430 10.514 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.748 -6.685 9.275 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.519 -5.092 9.090 1.00 0.00 H new ATOM 629 N ILE A 41 6.854 -7.340 6.683 1.00 0.00 N ATOM 630 CA ILE A 41 7.073 -8.759 6.427 1.00 0.00 C ATOM 631 C ILE A 41 8.242 -9.292 7.249 1.00 0.00 C ATOM 632 O ILE A 41 9.361 -8.789 7.153 1.00 0.00 O ATOM 633 CB ILE A 41 7.345 -9.026 4.935 1.00 0.00 C ATOM 634 CG1 ILE A 41 6.155 -8.570 4.088 1.00 0.00 C ATOM 635 CG2 ILE A 41 7.632 -10.502 4.705 1.00 0.00 C ATOM 636 CD1 ILE A 41 6.532 -8.187 2.674 1.00 0.00 C ATOM 0 H ILE A 41 7.700 -6.770 6.654 1.00 0.00 H new ATOM 0 HA ILE A 41 6.160 -9.277 6.720 1.00 0.00 H new ATOM 0 HB ILE A 41 8.222 -8.454 4.632 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.415 -9.370 4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.680 -7.717 4.573 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.822 -10.675 3.646 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.507 -10.797 5.284 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.772 -11.093 5.020 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.640 -7.874 2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.248 -7.366 2.698 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.980 -9.045 2.172 1.00 0.00 H new ATOM 648 N SER A 42 7.974 -10.314 8.055 1.00 0.00 N ATOM 649 CA SER A 42 9.003 -10.915 8.896 1.00 0.00 C ATOM 650 C SER A 42 10.230 -11.286 8.069 1.00 0.00 C ATOM 651 O SER A 42 10.122 -11.958 7.042 1.00 0.00 O ATOM 652 CB SER A 42 8.454 -12.156 9.601 1.00 0.00 C ATOM 653 OG SER A 42 9.499 -12.917 10.182 1.00 0.00 O ATOM 0 H SER A 42 7.053 -10.743 8.144 1.00 0.00 H new ATOM 0 HA SER A 42 9.300 -10.182 9.646 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.746 -11.856 10.373 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.906 -12.771 8.887 1.00 0.00 H new ATOM 0 HG SER A 42 9.122 -13.704 10.628 1.00 0.00 H new ATOM 767 N PRO A 50 12.010 -6.433 10.656 1.00 0.00 N ATOM 768 CA PRO A 50 11.315 -7.009 9.501 1.00 0.00 C ATOM 769 C PRO A 50 11.529 -6.194 8.231 1.00 0.00 C ATOM 770 O PRO A 50 12.433 -5.363 8.160 1.00 0.00 O ATOM 771 CB PRO A 50 9.843 -6.972 9.919 1.00 0.00 C ATOM 772 CG PRO A 50 9.759 -5.867 10.914 1.00 0.00 C ATOM 773 CD PRO A 50 11.075 -5.863 11.641 1.00 0.00 C ATOM 0 HA PRO A 50 11.679 -8.008 9.262 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.193 -6.785 9.064 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.531 -7.921 10.355 1.00 0.00 H new ATOM 0 HG2 PRO A 50 9.583 -4.911 10.421 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.932 -6.027 11.606 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.368 -4.856 11.937 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.034 -6.463 12.550 1.00 0.00 H new ATOM 781 N ALA A 51 10.691 -6.439 7.228 1.00 0.00 N ATOM 782 CA ALA A 51 10.787 -5.725 5.961 1.00 0.00 C ATOM 783 C ALA A 51 9.623 -4.756 5.786 1.00 0.00 C ATOM 784 O ALA A 51 8.464 -5.167 5.717 1.00 0.00 O ATOM 785 CB ALA A 51 10.834 -6.711 4.803 1.00 0.00 C ATOM 0 H ALA A 51 9.939 -7.126 7.269 1.00 0.00 H new ATOM 0 HA ALA A 51 11.710 -5.145 5.969 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.906 -6.165 3.863 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.703 -7.360 4.913 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.927 -7.316 4.803 1.00 0.00 H new ATOM 791 N LYS A 52 9.937 -3.467 5.717 1.00 0.00 N ATOM 792 CA LYS A 52 8.918 -2.438 5.550 1.00 0.00 C ATOM 793 C LYS A 52 8.767 -2.055 4.082 1.00 0.00 C ATOM 794 O LYS A 52 9.746 -1.721 3.412 1.00 0.00 O ATOM 795 CB LYS A 52 9.273 -1.201 6.377 1.00 0.00 C ATOM 796 CG LYS A 52 9.288 -1.454 7.875 1.00 0.00 C ATOM 797 CD LYS A 52 7.919 -1.223 8.493 1.00 0.00 C ATOM 798 CE LYS A 52 8.014 -1.021 9.998 1.00 0.00 C ATOM 799 NZ LYS A 52 8.325 -2.291 10.710 1.00 0.00 N ATOM 0 H LYS A 52 10.891 -3.110 5.774 1.00 0.00 H new ATOM 0 HA LYS A 52 7.968 -2.842 5.901 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.253 -0.837 6.069 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.556 -0.410 6.158 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.608 -2.478 8.069 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.018 -0.797 8.349 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.455 -0.349 8.036 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.274 -2.075 8.279 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.786 -0.283 10.217 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.072 -0.617 10.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.381 -2.111 11.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.576 -2.987 10.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.236 -2.664 10.374 1.00 0.00 H new ATOM 813 N LEU A 53 7.535 -2.104 3.586 1.00 0.00 N ATOM 814 CA LEU A 53 7.256 -1.760 2.196 1.00 0.00 C ATOM 815 C LEU A 53 6.177 -0.685 2.107 1.00 0.00 C ATOM 816 O LEU A 53 5.027 -0.913 2.480 1.00 0.00 O ATOM 817 CB LEU A 53 6.817 -3.003 1.421 1.00 0.00 C ATOM 818 CG LEU A 53 7.937 -3.935 0.956 1.00 0.00 C ATOM 819 CD1 LEU A 53 7.440 -5.370 0.879 1.00 0.00 C ATOM 820 CD2 LEU A 53 8.481 -3.484 -0.391 1.00 0.00 C ATOM 0 H LEU A 53 6.714 -2.378 4.126 1.00 0.00 H new ATOM 0 HA LEU A 53 8.172 -1.368 1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.133 -3.575 2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.253 -2.680 0.546 1.00 0.00 H new ATOM 0 HG LEU A 53 8.746 -3.891 1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.251 -6.018 0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.100 -5.690 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.613 -5.431 0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.277 -4.159 -0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.680 -3.498 -1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.877 -2.472 -0.303 1.00 0.00 H new ATOM 832 N ASN A 54 6.557 0.488 1.609 1.00 0.00 N ATOM 833 CA ASN A 54 5.622 1.598 1.470 1.00 0.00 C ATOM 834 C ASN A 54 4.577 1.298 0.400 1.00 0.00 C ATOM 835 O ASN A 54 4.902 1.154 -0.779 1.00 0.00 O ATOM 836 CB ASN A 54 6.374 2.883 1.117 1.00 0.00 C ATOM 837 CG ASN A 54 5.632 4.128 1.565 1.00 0.00 C ATOM 838 OD1 ASN A 54 5.112 4.884 0.605 1.00 0.00 O flip ATOM 839 ND2 ASN A 54 5.528 4.406 2.760 1.00 0.00 N flip ATOM 0 H ASN A 54 7.506 0.694 1.295 1.00 0.00 H new ATOM 0 HA ASN A 54 5.112 1.733 2.424 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.360 2.864 1.582 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.531 2.925 0.039 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.944 3.796 3.464 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.026 5.247 3.046 1.00 0.00 H new ATOM 846 N LEU A 55 3.320 1.204 0.820 1.00 0.00 N ATOM 847 CA LEU A 55 2.225 0.921 -0.102 1.00 0.00 C ATOM 848 C LEU A 55 2.020 2.077 -1.075 1.00 0.00 C ATOM 849 O LEU A 55 1.634 1.872 -2.227 1.00 0.00 O ATOM 850 CB LEU A 55 0.933 0.659 0.675 1.00 0.00 C ATOM 851 CG LEU A 55 0.728 -0.773 1.171 1.00 0.00 C ATOM 852 CD1 LEU A 55 1.949 -1.252 1.940 1.00 0.00 C ATOM 853 CD2 LEU A 55 -0.520 -0.863 2.039 1.00 0.00 C ATOM 0 H LEU A 55 3.034 1.319 1.792 1.00 0.00 H new ATOM 0 HA LEU A 55 2.485 0.030 -0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.908 1.328 1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.089 0.926 0.039 1.00 0.00 H new ATOM 0 HG LEU A 55 0.592 -1.421 0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.784 -2.273 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.823 -1.225 1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.117 -0.602 2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.651 -1.889 2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.413 -0.202 2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.391 -0.562 1.456 1.00 0.00 H new ATOM 865 N LEU A 56 2.282 3.292 -0.606 1.00 0.00 N ATOM 866 CA LEU A 56 2.129 4.482 -1.436 1.00 0.00 C ATOM 867 C LEU A 56 3.005 4.394 -2.682 1.00 0.00 C ATOM 868 O LEU A 56 2.791 5.114 -3.658 1.00 0.00 O ATOM 869 CB LEU A 56 2.487 5.736 -0.636 1.00 0.00 C ATOM 870 CG LEU A 56 2.131 5.707 0.851 1.00 0.00 C ATOM 871 CD1 LEU A 56 2.340 7.077 1.477 1.00 0.00 C ATOM 872 CD2 LEU A 56 0.696 5.242 1.047 1.00 0.00 C ATOM 0 H LEU A 56 2.601 3.479 0.344 1.00 0.00 H new ATOM 0 HA LEU A 56 1.087 4.543 -1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.559 5.909 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.986 6.590 -1.093 1.00 0.00 H new ATOM 0 HG LEU A 56 2.792 4.998 1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.082 7.037 2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.384 7.371 1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.704 7.807 0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.460 5.228 2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.019 5.925 0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.579 4.239 0.636 1.00 0.00 H new ATOM 884 N THR A 57 3.991 3.503 -2.644 1.00 0.00 N ATOM 885 CA THR A 57 4.899 3.319 -3.769 1.00 0.00 C ATOM 886 C THR A 57 4.738 1.933 -4.384 1.00 0.00 C ATOM 887 O THR A 57 4.833 1.769 -5.601 1.00 0.00 O ATOM 888 CB THR A 57 6.367 3.512 -3.345 1.00 0.00 C ATOM 889 OG1 THR A 57 6.764 2.459 -2.460 1.00 0.00 O ATOM 890 CG2 THR A 57 6.559 4.857 -2.660 1.00 0.00 C ATOM 0 H THR A 57 4.181 2.897 -1.846 1.00 0.00 H new ATOM 0 HA THR A 57 4.641 4.075 -4.510 1.00 0.00 H new ATOM 0 HB THR A 57 6.988 3.486 -4.241 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.997 2.181 -1.918 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.603 4.971 -2.369 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.284 5.658 -3.347 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.928 4.907 -1.773 1.00 0.00 H new ATOM 898 N CYS A 58 4.493 0.940 -3.537 1.00 0.00 N ATOM 899 CA CYS A 58 4.319 -0.433 -3.998 1.00 0.00 C ATOM 900 C CYS A 58 3.070 -0.561 -4.865 1.00 0.00 C ATOM 901 O CYS A 58 2.027 0.014 -4.555 1.00 0.00 O ATOM 902 CB CYS A 58 4.226 -1.386 -2.805 1.00 0.00 C ATOM 903 SG CYS A 58 5.828 -1.942 -2.178 1.00 0.00 S ATOM 0 H CYS A 58 4.410 1.060 -2.527 1.00 0.00 H new ATOM 0 HA CYS A 58 5.187 -0.701 -4.601 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.685 -0.890 -1.999 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.639 -2.257 -3.095 1.00 0.00 H new ATOM 0 HG CYS A 58 6.294 -1.065 -1.339 1.00 0.00 H new ATOM 909 N GLN A 59 3.186 -1.317 -5.952 1.00 0.00 N ATOM 910 CA GLN A 59 2.067 -1.518 -6.864 1.00 0.00 C ATOM 911 C GLN A 59 1.474 -2.914 -6.699 1.00 0.00 C ATOM 912 O GLN A 59 2.184 -3.916 -6.785 1.00 0.00 O ATOM 913 CB GLN A 59 2.518 -1.311 -8.311 1.00 0.00 C ATOM 914 CG GLN A 59 1.393 -0.895 -9.245 1.00 0.00 C ATOM 915 CD GLN A 59 1.900 -0.242 -10.516 1.00 0.00 C ATOM 916 OE1 GLN A 59 3.092 0.038 -10.650 1.00 0.00 O ATOM 917 NE2 GLN A 59 0.997 0.004 -11.457 1.00 0.00 N ATOM 0 H GLN A 59 4.043 -1.800 -6.222 1.00 0.00 H new ATOM 0 HA GLN A 59 1.297 -0.785 -6.622 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.298 -0.550 -8.334 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.963 -2.235 -8.680 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.798 -1.771 -9.504 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.731 -0.203 -8.725 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.020 -0.245 -11.304 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.280 0.442 -12.334 1.00 0.00 H new ATOM 926 N VAL A 60 0.167 -2.972 -6.462 1.00 0.00 N ATOM 927 CA VAL A 60 -0.522 -4.245 -6.286 1.00 0.00 C ATOM 928 C VAL A 60 -1.073 -4.759 -7.611 1.00 0.00 C ATOM 929 O VAL A 60 -2.155 -4.361 -8.043 1.00 0.00 O ATOM 930 CB VAL A 60 -1.677 -4.122 -5.275 1.00 0.00 C ATOM 931 CG1 VAL A 60 -2.473 -5.417 -5.214 1.00 0.00 C ATOM 932 CG2 VAL A 60 -1.144 -3.749 -3.900 1.00 0.00 C ATOM 0 H VAL A 60 -0.436 -2.152 -6.388 1.00 0.00 H new ATOM 0 HA VAL A 60 0.213 -4.953 -5.903 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.345 -3.328 -5.608 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.285 -5.311 -4.494 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.887 -5.637 -6.198 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.819 -6.232 -4.905 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.974 -3.666 -3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.453 -4.519 -3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.622 -2.794 -3.959 1.00 0.00 H new ATOM 942 N LYS A 61 -0.322 -5.648 -8.252 1.00 0.00 N ATOM 943 CA LYS A 61 -0.735 -6.221 -9.528 1.00 0.00 C ATOM 944 C LYS A 61 -1.245 -7.646 -9.345 1.00 0.00 C ATOM 945 O LYS A 61 -0.479 -8.610 -9.342 1.00 0.00 O ATOM 946 CB LYS A 61 0.433 -6.209 -10.518 1.00 0.00 C ATOM 947 CG LYS A 61 0.775 -4.823 -11.037 1.00 0.00 C ATOM 948 CD LYS A 61 -0.048 -4.468 -12.264 1.00 0.00 C ATOM 949 CE LYS A 61 -1.504 -4.216 -11.904 1.00 0.00 C ATOM 950 NZ LYS A 61 -2.177 -3.339 -12.901 1.00 0.00 N ATOM 0 H LYS A 61 0.576 -5.988 -7.909 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.547 -5.612 -9.925 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.313 -6.634 -10.035 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.190 -6.854 -11.362 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.598 -4.086 -10.253 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.836 -4.777 -11.284 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.369 -3.580 -12.739 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.013 -5.277 -12.991 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.033 -5.167 -11.841 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.560 -3.755 -10.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.167 -3.191 -12.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.688 -2.422 -12.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.146 -3.791 -13.837 1.00 0.00 H new ATOM 964 N PRO A 62 -2.570 -7.786 -9.191 1.00 0.00 N ATOM 965 CA PRO A 62 -3.213 -9.091 -9.007 1.00 0.00 C ATOM 966 C PRO A 62 -3.171 -9.941 -10.273 1.00 0.00 C ATOM 967 O PRO A 62 -3.210 -9.417 -11.385 1.00 0.00 O ATOM 968 CB PRO A 62 -4.657 -8.729 -8.654 1.00 0.00 C ATOM 969 CG PRO A 62 -4.870 -7.385 -9.261 1.00 0.00 C ATOM 970 CD PRO A 62 -3.544 -6.681 -9.186 1.00 0.00 C ATOM 0 HA PRO A 62 -2.711 -9.689 -8.246 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.358 -9.460 -9.056 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.806 -8.704 -7.575 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.207 -7.472 -10.294 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.637 -6.830 -8.721 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.396 -6.011 -10.033 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.461 -6.076 -8.283 1.00 0.00 H new ATOM 978 N ASN A 63 -3.093 -11.256 -10.095 1.00 0.00 N ATOM 979 CA ASN A 63 -3.046 -12.179 -11.223 1.00 0.00 C ATOM 980 C ASN A 63 -4.222 -11.945 -12.166 1.00 0.00 C ATOM 981 O ASN A 63 -5.085 -11.108 -11.903 1.00 0.00 O ATOM 982 CB ASN A 63 -3.055 -13.626 -10.726 1.00 0.00 C ATOM 983 CG ASN A 63 -4.461 -14.166 -10.546 1.00 0.00 C ATOM 984 OD1 ASN A 63 -4.969 -14.899 -11.394 1.00 0.00 O ATOM 985 ND2 ASN A 63 -5.096 -13.804 -9.437 1.00 0.00 N ATOM 0 H ASN A 63 -3.061 -11.706 -9.180 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.122 -11.997 -11.772 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.515 -14.254 -11.435 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.522 -13.685 -9.777 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.044 -14.136 -9.261 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.635 -13.194 -8.761 1.00 0.00 H new ATOM 992 N ALA A 64 -4.250 -12.692 -13.264 1.00 0.00 N ATOM 993 CA ALA A 64 -5.322 -12.569 -14.245 1.00 0.00 C ATOM 994 C ALA A 64 -6.082 -13.882 -14.395 1.00 0.00 C ATOM 995 O ALA A 64 -7.309 -13.892 -14.495 1.00 0.00 O ATOM 996 CB ALA A 64 -4.760 -12.125 -15.587 1.00 0.00 C ATOM 0 H ALA A 64 -3.543 -13.389 -13.497 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.022 -11.813 -13.889 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.571 -12.037 -16.310 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.269 -11.159 -15.474 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.037 -12.861 -15.940 1.00 0.00 H new ATOM 1002 N GLU A 65 -5.346 -14.989 -14.412 1.00 0.00 N ATOM 1003 CA GLU A 65 -5.952 -16.308 -14.553 1.00 0.00 C ATOM 1004 C GLU A 65 -5.801 -17.115 -13.267 1.00 0.00 C ATOM 1005 O GLU A 65 -6.789 -17.546 -12.672 1.00 0.00 O ATOM 1006 CB GLU A 65 -5.317 -17.064 -15.721 1.00 0.00 C ATOM 1007 CG GLU A 65 -5.464 -16.355 -17.057 1.00 0.00 C ATOM 1008 CD GLU A 65 -4.683 -17.032 -18.166 1.00 0.00 C ATOM 1009 OE1 GLU A 65 -3.437 -16.946 -18.153 1.00 0.00 O ATOM 1010 OE2 GLU A 65 -5.318 -17.649 -19.047 1.00 0.00 O ATOM 0 H GLU A 65 -4.329 -14.999 -14.330 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.015 -16.172 -14.754 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.257 -17.213 -15.513 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.770 -18.053 -15.792 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.518 -16.318 -17.330 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.125 -15.324 -16.956 1.00 0.00 H new ATOM 1017 N ASP A 66 -4.557 -17.318 -12.845 1.00 0.00 N ATOM 1018 CA ASP A 66 -4.275 -18.073 -11.630 1.00 0.00 C ATOM 1019 C ASP A 66 -4.924 -17.414 -10.417 1.00 0.00 C ATOM 1020 O ASP A 66 -4.306 -16.594 -9.738 1.00 0.00 O ATOM 1021 CB ASP A 66 -2.765 -18.191 -11.416 1.00 0.00 C ATOM 1022 CG ASP A 66 -2.019 -16.949 -11.863 1.00 0.00 C ATOM 1023 OD1 ASP A 66 -1.945 -16.709 -13.086 1.00 0.00 O ATOM 1024 OD2 ASP A 66 -1.508 -16.216 -10.989 1.00 0.00 O ATOM 0 H ASP A 66 -3.728 -16.970 -13.327 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.696 -19.071 -11.746 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.564 -18.372 -10.360 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.389 -19.054 -11.965 1.00 0.00 H new ATOM 1029 N LYS A 67 -6.174 -17.777 -10.151 1.00 0.00 N ATOM 1030 CA LYS A 67 -6.908 -17.222 -9.020 1.00 0.00 C ATOM 1031 C LYS A 67 -6.126 -17.401 -7.723 1.00 0.00 C ATOM 1032 O LYS A 67 -5.245 -18.257 -7.630 1.00 0.00 O ATOM 1033 CB LYS A 67 -8.279 -17.890 -8.898 1.00 0.00 C ATOM 1034 CG LYS A 67 -9.343 -16.990 -8.294 1.00 0.00 C ATOM 1035 CD LYS A 67 -9.796 -15.924 -9.277 1.00 0.00 C ATOM 1036 CE LYS A 67 -10.660 -14.871 -8.599 1.00 0.00 C ATOM 1037 NZ LYS A 67 -9.839 -13.806 -7.961 1.00 0.00 N ATOM 0 H LYS A 67 -6.700 -18.454 -10.704 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.045 -16.155 -9.196 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.606 -18.212 -9.887 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.184 -18.787 -8.286 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.199 -17.592 -7.989 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.951 -16.514 -7.395 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.924 -15.447 -9.725 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.357 -16.390 -10.087 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.329 -14.423 -9.333 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.287 -15.347 -7.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.780 -13.979 -6.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.882 -13.814 -8.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.280 -12.879 -8.131 1.00 0.00 H new ATOM 1051 N LYS A 68 -6.454 -16.591 -6.722 1.00 0.00 N ATOM 1052 CA LYS A 68 -5.785 -16.662 -5.429 1.00 0.00 C ATOM 1053 C LYS A 68 -4.291 -16.393 -5.574 1.00 0.00 C ATOM 1054 O LYS A 68 -3.462 -17.172 -5.102 1.00 0.00 O ATOM 1055 CB LYS A 68 -6.008 -18.035 -4.791 1.00 0.00 C ATOM 1056 CG LYS A 68 -7.255 -18.110 -3.927 1.00 0.00 C ATOM 1057 CD LYS A 68 -7.312 -19.409 -3.141 1.00 0.00 C ATOM 1058 CE LYS A 68 -7.646 -20.589 -4.041 1.00 0.00 C ATOM 1059 NZ LYS A 68 -7.882 -21.834 -3.258 1.00 0.00 N ATOM 0 H LYS A 68 -7.180 -15.877 -6.782 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.213 -15.895 -4.784 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.076 -18.785 -5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.140 -18.289 -4.183 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.272 -17.266 -3.238 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.141 -18.026 -4.557 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.353 -19.582 -2.652 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.061 -19.327 -2.353 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.533 -20.357 -4.630 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.830 -20.752 -4.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.107 -22.615 -3.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.027 -22.070 -2.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.678 -21.687 -2.604 1.00 0.00 H new ATOM 1073 N SER A 69 -3.954 -15.286 -6.228 1.00 0.00 N ATOM 1074 CA SER A 69 -2.559 -14.917 -6.437 1.00 0.00 C ATOM 1075 C SER A 69 -2.437 -13.440 -6.801 1.00 0.00 C ATOM 1076 O SER A 69 -3.272 -12.896 -7.525 1.00 0.00 O ATOM 1077 CB SER A 69 -1.940 -15.778 -7.539 1.00 0.00 C ATOM 1078 OG SER A 69 -1.579 -17.056 -7.045 1.00 0.00 O ATOM 0 H SER A 69 -4.628 -14.629 -6.622 1.00 0.00 H new ATOM 0 HA SER A 69 -2.020 -15.090 -5.506 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.649 -15.889 -8.360 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.059 -15.279 -7.943 1.00 0.00 H new ATOM 0 HG SER A 69 -2.234 -17.345 -6.376 1.00 0.00 H new ATOM 1084 N PHE A 70 -1.391 -12.796 -6.294 1.00 0.00 N ATOM 1085 CA PHE A 70 -1.159 -11.382 -6.564 1.00 0.00 C ATOM 1086 C PHE A 70 0.325 -11.045 -6.457 1.00 0.00 C ATOM 1087 O PHE A 70 1.025 -11.543 -5.575 1.00 0.00 O ATOM 1088 CB PHE A 70 -1.961 -10.517 -5.590 1.00 0.00 C ATOM 1089 CG PHE A 70 -1.345 -10.423 -4.224 1.00 0.00 C ATOM 1090 CD1 PHE A 70 -0.355 -9.490 -3.959 1.00 0.00 C ATOM 1091 CD2 PHE A 70 -1.756 -11.266 -3.204 1.00 0.00 C ATOM 1092 CE1 PHE A 70 0.214 -9.402 -2.702 1.00 0.00 C ATOM 1093 CE2 PHE A 70 -1.191 -11.183 -1.946 1.00 0.00 C ATOM 1094 CZ PHE A 70 -0.205 -10.249 -1.694 1.00 0.00 C ATOM 0 H PHE A 70 -0.690 -13.231 -5.694 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.489 -11.173 -7.582 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.060 -9.514 -6.005 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -2.968 -10.925 -5.498 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.024 -8.825 -4.743 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.528 -11.997 -3.395 1.00 0.00 H new ATOM 0 HE1 PHE A 70 0.986 -8.672 -2.508 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.520 -11.847 -1.161 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.237 -10.181 -0.711 1.00 0.00 H new ATOM 1104 N ASP A 71 0.799 -10.196 -7.363 1.00 0.00 N ATOM 1105 CA ASP A 71 2.200 -9.790 -7.371 1.00 0.00 C ATOM 1106 C ASP A 71 2.359 -8.375 -6.824 1.00 0.00 C ATOM 1107 O ASP A 71 1.524 -7.504 -7.072 1.00 0.00 O ATOM 1108 CB ASP A 71 2.767 -9.868 -8.790 1.00 0.00 C ATOM 1109 CG ASP A 71 3.190 -11.274 -9.167 1.00 0.00 C ATOM 1110 OD1 ASP A 71 4.039 -11.849 -8.454 1.00 0.00 O ATOM 1111 OD2 ASP A 71 2.673 -11.800 -10.175 1.00 0.00 O ATOM 0 H ASP A 71 0.234 -9.776 -8.101 1.00 0.00 H new ATOM 0 HA ASP A 71 2.755 -10.473 -6.728 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.017 -9.515 -9.498 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.624 -9.199 -8.873 1.00 0.00 H new ATOM 1116 N LEU A 72 3.436 -8.153 -6.078 1.00 0.00 N ATOM 1117 CA LEU A 72 3.705 -6.843 -5.494 1.00 0.00 C ATOM 1118 C LEU A 72 4.967 -6.230 -6.092 1.00 0.00 C ATOM 1119 O LEU A 72 6.081 -6.661 -5.791 1.00 0.00 O ATOM 1120 CB LEU A 72 3.851 -6.960 -3.976 1.00 0.00 C ATOM 1121 CG LEU A 72 3.791 -5.648 -3.193 1.00 0.00 C ATOM 1122 CD1 LEU A 72 2.376 -5.090 -3.193 1.00 0.00 C ATOM 1123 CD2 LEU A 72 4.285 -5.855 -1.768 1.00 0.00 C ATOM 0 H LEU A 72 4.137 -8.862 -5.863 1.00 0.00 H new ATOM 0 HA LEU A 72 2.862 -6.190 -5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.065 -7.618 -3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.802 -7.446 -3.759 1.00 0.00 H new ATOM 0 HG LEU A 72 4.444 -4.925 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.353 -4.156 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.058 -4.904 -4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.701 -5.809 -2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.236 -4.911 -1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.658 -6.594 -1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.316 -6.208 -1.788 1.00 0.00 H new ATOM 1135 N ILE A 73 4.785 -5.221 -6.937 1.00 0.00 N ATOM 1136 CA ILE A 73 5.909 -4.546 -7.573 1.00 0.00 C ATOM 1137 C ILE A 73 6.459 -3.435 -6.684 1.00 0.00 C ATOM 1138 O ILE A 73 5.843 -2.379 -6.542 1.00 0.00 O ATOM 1139 CB ILE A 73 5.509 -3.948 -8.935 1.00 0.00 C ATOM 1140 CG1 ILE A 73 5.234 -5.063 -9.945 1.00 0.00 C ATOM 1141 CG2 ILE A 73 6.601 -3.020 -9.447 1.00 0.00 C ATOM 1142 CD1 ILE A 73 4.217 -4.685 -11.000 1.00 0.00 C ATOM 0 H ILE A 73 3.870 -4.853 -7.197 1.00 0.00 H new ATOM 0 HA ILE A 73 6.682 -5.299 -7.729 1.00 0.00 H new ATOM 0 HB ILE A 73 4.596 -3.367 -8.806 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.168 -5.338 -10.434 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.882 -5.946 -9.412 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.304 -2.605 -10.410 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.753 -2.209 -8.734 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.529 -3.580 -9.564 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.072 -5.523 -11.682 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.270 -4.439 -10.520 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.576 -3.821 -11.559 1.00 0.00 H new ATOM 1154 N SER A 74 7.622 -3.681 -6.090 1.00 0.00 N ATOM 1155 CA SER A 74 8.254 -2.702 -5.213 1.00 0.00 C ATOM 1156 C SER A 74 9.365 -1.955 -5.944 1.00 0.00 C ATOM 1157 O SER A 74 9.577 -2.151 -7.142 1.00 0.00 O ATOM 1158 CB SER A 74 8.820 -3.391 -3.970 1.00 0.00 C ATOM 1159 OG SER A 74 10.033 -4.061 -4.266 1.00 0.00 O ATOM 0 H SER A 74 8.146 -4.549 -6.200 1.00 0.00 H new ATOM 0 HA SER A 74 7.496 -1.981 -4.907 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.991 -2.652 -3.187 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.092 -4.104 -3.582 1.00 0.00 H new ATOM 0 HG SER A 74 9.861 -4.780 -4.910 1.00 0.00 H new ATOM 1165 N HIS A 75 10.072 -1.097 -5.216 1.00 0.00 N ATOM 1166 CA HIS A 75 11.162 -0.319 -5.794 1.00 0.00 C ATOM 1167 C HIS A 75 12.092 -1.212 -6.610 1.00 0.00 C ATOM 1168 O HIS A 75 12.813 -2.042 -6.058 1.00 0.00 O ATOM 1169 CB HIS A 75 11.951 0.389 -4.693 1.00 0.00 C ATOM 1170 CG HIS A 75 12.054 -0.403 -3.426 1.00 0.00 C ATOM 1171 ND1 HIS A 75 12.061 -1.740 -3.215 1.00 0.00 N flip ATOM 1172 CD2 HIS A 75 12.165 0.179 -2.181 1.00 0.00 C flip ATOM 1173 CE1 HIS A 75 12.176 -1.939 -1.862 1.00 0.00 C flip ATOM 1174 NE2 HIS A 75 12.237 -0.765 -1.260 1.00 0.00 N flip ATOM 0 H HIS A 75 9.910 -0.923 -4.224 1.00 0.00 H new ATOM 0 HA HIS A 75 10.730 0.429 -6.458 1.00 0.00 H new ATOM 0 HB2 HIS A 75 12.955 0.606 -5.059 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.477 1.346 -4.476 1.00 0.00 H new ATOM 0 HD1 HIS A 75 11.993 -2.465 -3.929 1.00 0.00 H new ATOM 0 HD2 HIS A 75 12.189 1.241 -1.989 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.211 -2.900 -1.370 1.00 0.00 H new ATOM 1183 N ASN A 76 12.070 -1.034 -7.927 1.00 0.00 N ATOM 1184 CA ASN A 76 12.910 -1.825 -8.819 1.00 0.00 C ATOM 1185 C ASN A 76 13.080 -3.245 -8.290 1.00 0.00 C ATOM 1186 O ASN A 76 14.166 -3.821 -8.366 1.00 0.00 O ATOM 1187 CB ASN A 76 14.280 -1.162 -8.983 1.00 0.00 C ATOM 1188 CG ASN A 76 14.174 0.276 -9.452 1.00 0.00 C ATOM 1189 OD1 ASN A 76 13.402 0.590 -10.358 1.00 0.00 O ATOM 1190 ND2 ASN A 76 14.953 1.158 -8.836 1.00 0.00 N ATOM 0 H ASN A 76 11.480 -0.349 -8.400 1.00 0.00 H new ATOM 0 HA ASN A 76 12.419 -1.875 -9.791 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.812 -1.193 -8.032 1.00 0.00 H new ATOM 0 HB3 ASN A 76 14.873 -1.732 -9.698 1.00 0.00 H new ATOM 0 HD21 ASN A 76 14.926 2.140 -9.109 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.578 0.853 -8.090 1.00 0.00 H new ATOM 1197 N ARG A 77 12.000 -3.805 -7.755 1.00 0.00 N ATOM 1198 CA ARG A 77 12.029 -5.158 -7.212 1.00 0.00 C ATOM 1199 C ARG A 77 10.622 -5.743 -7.136 1.00 0.00 C ATOM 1200 O ARG A 77 9.760 -5.226 -6.425 1.00 0.00 O ATOM 1201 CB ARG A 77 12.670 -5.159 -5.823 1.00 0.00 C ATOM 1202 CG ARG A 77 12.899 -6.552 -5.260 1.00 0.00 C ATOM 1203 CD ARG A 77 14.063 -6.573 -4.281 1.00 0.00 C ATOM 1204 NE ARG A 77 13.661 -6.141 -2.944 1.00 0.00 N ATOM 1205 CZ ARG A 77 14.495 -6.071 -1.913 1.00 0.00 C ATOM 1206 NH1 ARG A 77 15.770 -6.403 -2.064 1.00 0.00 N ATOM 1207 NH2 ARG A 77 14.055 -5.669 -0.728 1.00 0.00 N ATOM 0 H ARG A 77 11.094 -3.342 -7.686 1.00 0.00 H new ATOM 0 HA ARG A 77 12.626 -5.779 -7.880 1.00 0.00 H new ATOM 0 HB2 ARG A 77 13.624 -4.635 -5.872 1.00 0.00 H new ATOM 0 HB3 ARG A 77 12.033 -4.599 -5.138 1.00 0.00 H new ATOM 0 HG2 ARG A 77 11.994 -6.896 -4.759 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.096 -7.248 -6.076 1.00 0.00 H new ATOM 0 HD2 ARG A 77 14.474 -7.581 -4.228 1.00 0.00 H new ATOM 0 HD3 ARG A 77 14.858 -5.924 -4.648 1.00 0.00 H new ATOM 0 HE ARG A 77 12.687 -5.879 -2.795 1.00 0.00 H new ATOM 0 HH11 ARG A 77 16.112 -6.713 -2.974 1.00 0.00 H new ATOM 0 HH12 ARG A 77 16.409 -6.348 -1.271 1.00 0.00 H new ATOM 0 HH21 ARG A 77 13.075 -5.413 -0.608 1.00 0.00 H new ATOM 0 HH22 ARG A 77 14.697 -5.616 0.063 1.00 0.00 H new ATOM 1221 N THR A 78 10.397 -6.826 -7.873 1.00 0.00 N ATOM 1222 CA THR A 78 9.095 -7.481 -7.891 1.00 0.00 C ATOM 1223 C THR A 78 9.030 -8.603 -6.861 1.00 0.00 C ATOM 1224 O THR A 78 10.009 -9.317 -6.643 1.00 0.00 O ATOM 1225 CB THR A 78 8.776 -8.059 -9.283 1.00 0.00 C ATOM 1226 OG1 THR A 78 8.895 -7.036 -10.277 1.00 0.00 O ATOM 1227 CG2 THR A 78 7.372 -8.644 -9.317 1.00 0.00 C ATOM 0 H THR A 78 11.100 -7.268 -8.465 1.00 0.00 H new ATOM 0 HA THR A 78 8.355 -6.720 -7.643 1.00 0.00 H new ATOM 0 HB THR A 78 9.490 -8.855 -9.494 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.692 -7.412 -11.159 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.169 -9.046 -10.310 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.292 -9.442 -8.579 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.647 -7.863 -9.087 1.00 0.00 H new ATOM 1235 N TYR A 79 7.871 -8.753 -6.229 1.00 0.00 N ATOM 1236 CA TYR A 79 7.679 -9.788 -5.220 1.00 0.00 C ATOM 1237 C TYR A 79 6.566 -10.748 -5.628 1.00 0.00 C ATOM 1238 O TYR A 79 5.750 -10.437 -6.496 1.00 0.00 O ATOM 1239 CB TYR A 79 7.351 -9.155 -3.867 1.00 0.00 C ATOM 1240 CG TYR A 79 8.568 -8.654 -3.121 1.00 0.00 C ATOM 1241 CD1 TYR A 79 9.235 -7.506 -3.532 1.00 0.00 C ATOM 1242 CD2 TYR A 79 9.051 -9.330 -2.008 1.00 0.00 C ATOM 1243 CE1 TYR A 79 10.347 -7.046 -2.855 1.00 0.00 C ATOM 1244 CE2 TYR A 79 10.162 -8.875 -1.323 1.00 0.00 C ATOM 1245 CZ TYR A 79 10.807 -7.733 -1.751 1.00 0.00 C ATOM 1246 OH TYR A 79 11.914 -7.278 -1.073 1.00 0.00 O ATOM 0 H TYR A 79 7.050 -8.171 -6.398 1.00 0.00 H new ATOM 0 HA TYR A 79 8.607 -10.353 -5.135 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.663 -8.324 -4.021 1.00 0.00 H new ATOM 0 HB3 TYR A 79 6.833 -9.888 -3.249 1.00 0.00 H new ATOM 0 HD1 TYR A 79 8.877 -6.965 -4.395 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.550 -10.226 -1.672 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.854 -6.153 -3.188 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.523 -9.411 -0.457 1.00 0.00 H new ATOM 0 HH TYR A 79 12.105 -7.875 -0.320 1.00 0.00 H new ATOM 1256 N HIS A 80 6.539 -11.916 -4.995 1.00 0.00 N ATOM 1257 CA HIS A 80 5.526 -12.923 -5.291 1.00 0.00 C ATOM 1258 C HIS A 80 4.713 -13.258 -4.044 1.00 0.00 C ATOM 1259 O HIS A 80 5.268 -13.640 -3.013 1.00 0.00 O ATOM 1260 CB HIS A 80 6.181 -14.190 -5.843 1.00 0.00 C ATOM 1261 CG HIS A 80 6.778 -14.010 -7.205 1.00 0.00 C ATOM 1262 ND1 HIS A 80 6.062 -13.539 -8.285 1.00 0.00 N ATOM 1263 CD2 HIS A 80 8.032 -14.241 -7.659 1.00 0.00 C ATOM 1264 CE1 HIS A 80 6.849 -13.489 -9.344 1.00 0.00 C ATOM 1265 NE2 HIS A 80 8.050 -13.909 -8.991 1.00 0.00 N ATOM 0 H HIS A 80 7.207 -12.189 -4.274 1.00 0.00 H new ATOM 0 HA HIS A 80 4.852 -12.514 -6.044 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.960 -14.516 -5.154 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.437 -14.986 -5.883 1.00 0.00 H new ATOM 0 HD1 HIS A 80 5.078 -13.271 -8.268 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.864 -14.617 -7.081 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.560 -13.160 -10.331 1.00 0.00 H new ATOM 1274 N PHE A 81 3.396 -13.112 -4.145 1.00 0.00 N ATOM 1275 CA PHE A 81 2.507 -13.397 -3.025 1.00 0.00 C ATOM 1276 C PHE A 81 1.361 -14.306 -3.458 1.00 0.00 C ATOM 1277 O PHE A 81 0.922 -14.262 -4.607 1.00 0.00 O ATOM 1278 CB PHE A 81 1.950 -12.096 -2.444 1.00 0.00 C ATOM 1279 CG PHE A 81 2.971 -11.290 -1.692 1.00 0.00 C ATOM 1280 CD1 PHE A 81 3.296 -11.607 -0.383 1.00 0.00 C ATOM 1281 CD2 PHE A 81 3.605 -10.215 -2.295 1.00 0.00 C ATOM 1282 CE1 PHE A 81 4.234 -10.866 0.311 1.00 0.00 C ATOM 1283 CE2 PHE A 81 4.544 -9.471 -1.606 1.00 0.00 C ATOM 1284 CZ PHE A 81 4.859 -9.798 -0.301 1.00 0.00 C ATOM 0 H PHE A 81 2.921 -12.798 -4.991 1.00 0.00 H new ATOM 0 HA PHE A 81 3.085 -13.911 -2.257 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.545 -11.490 -3.254 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.121 -12.331 -1.777 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.811 -12.442 0.100 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.362 -9.956 -3.315 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.478 -11.122 1.331 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.031 -8.635 -2.087 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.593 -9.219 0.239 1.00 0.00 H new ATOM 1294 N GLN A 82 0.882 -15.128 -2.530 1.00 0.00 N ATOM 1295 CA GLN A 82 -0.213 -16.048 -2.816 1.00 0.00 C ATOM 1296 C GLN A 82 -1.074 -16.271 -1.578 1.00 0.00 C ATOM 1297 O GLN A 82 -0.559 -16.514 -0.487 1.00 0.00 O ATOM 1298 CB GLN A 82 0.335 -17.385 -3.319 1.00 0.00 C ATOM 1299 CG GLN A 82 -0.732 -18.302 -3.894 1.00 0.00 C ATOM 1300 CD GLN A 82 -0.153 -19.572 -4.486 1.00 0.00 C ATOM 1301 OE1 GLN A 82 -0.296 -20.656 -3.921 1.00 0.00 O ATOM 1302 NE2 GLN A 82 0.506 -19.444 -5.632 1.00 0.00 N ATOM 0 H GLN A 82 1.235 -15.176 -1.574 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.835 -15.603 -3.593 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.089 -17.195 -4.083 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.836 -17.895 -2.497 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.443 -18.562 -3.110 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.288 -17.768 -4.664 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.601 -18.526 -6.066 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.917 -20.264 -6.078 1.00 0.00 H new ATOM 1311 N ALA A 83 -2.388 -16.188 -1.754 1.00 0.00 N ATOM 1312 CA ALA A 83 -3.321 -16.382 -0.652 1.00 0.00 C ATOM 1313 C ALA A 83 -3.648 -17.860 -0.463 1.00 0.00 C ATOM 1314 O ALA A 83 -3.671 -18.627 -1.425 1.00 0.00 O ATOM 1315 CB ALA A 83 -4.595 -15.585 -0.891 1.00 0.00 C ATOM 0 H ALA A 83 -2.831 -15.987 -2.651 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.846 -16.022 0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.282 -15.740 -0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.352 -14.525 -0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.064 -15.918 -1.817 1.00 0.00 H new ATOM 1321 N GLU A 84 -3.898 -18.252 0.783 1.00 0.00 N ATOM 1322 CA GLU A 84 -4.221 -19.639 1.096 1.00 0.00 C ATOM 1323 C GLU A 84 -5.655 -19.968 0.691 1.00 0.00 C ATOM 1324 O GLU A 84 -5.934 -21.054 0.183 1.00 0.00 O ATOM 1325 CB GLU A 84 -4.028 -19.905 2.590 1.00 0.00 C ATOM 1326 CG GLU A 84 -2.606 -20.293 2.961 1.00 0.00 C ATOM 1327 CD GLU A 84 -2.275 -21.724 2.584 1.00 0.00 C ATOM 1328 OE1 GLU A 84 -1.934 -21.963 1.406 1.00 0.00 O ATOM 1329 OE2 GLU A 84 -2.357 -22.604 3.466 1.00 0.00 O ATOM 0 H GLU A 84 -3.883 -17.629 1.591 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.546 -20.280 0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.309 -19.012 3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.705 -20.701 2.899 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.908 -19.619 2.464 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.466 -20.162 4.034 1.00 0.00 H new ATOM 1336 N ASP A 85 -6.560 -19.023 0.920 1.00 0.00 N ATOM 1337 CA ASP A 85 -7.965 -19.212 0.578 1.00 0.00 C ATOM 1338 C ASP A 85 -8.470 -18.069 -0.298 1.00 0.00 C ATOM 1339 O ASP A 85 -7.883 -16.988 -0.323 1.00 0.00 O ATOM 1340 CB ASP A 85 -8.812 -19.309 1.848 1.00 0.00 C ATOM 1341 CG ASP A 85 -8.333 -20.403 2.781 1.00 0.00 C ATOM 1342 OD1 ASP A 85 -8.543 -21.592 2.459 1.00 0.00 O ATOM 1343 OD2 ASP A 85 -7.748 -20.072 3.833 1.00 0.00 O ATOM 0 H ASP A 85 -6.346 -18.119 1.341 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.055 -20.143 0.018 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.788 -18.353 2.371 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.850 -19.497 1.575 1.00 0.00 H new ATOM 1348 N GLU A 86 -9.560 -18.318 -1.017 1.00 0.00 N ATOM 1349 CA GLU A 86 -10.141 -17.311 -1.896 1.00 0.00 C ATOM 1350 C GLU A 86 -10.574 -16.081 -1.103 1.00 0.00 C ATOM 1351 O GLU A 86 -10.394 -14.948 -1.548 1.00 0.00 O ATOM 1352 CB GLU A 86 -11.338 -17.891 -2.652 1.00 0.00 C ATOM 1353 CG GLU A 86 -11.675 -17.137 -3.928 1.00 0.00 C ATOM 1354 CD GLU A 86 -12.654 -16.003 -3.694 1.00 0.00 C ATOM 1355 OE1 GLU A 86 -12.679 -15.465 -2.567 1.00 0.00 O ATOM 1356 OE2 GLU A 86 -13.393 -15.652 -4.637 1.00 0.00 O ATOM 0 H GLU A 86 -10.058 -19.208 -1.008 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.378 -17.009 -2.614 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.131 -18.932 -2.899 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.209 -17.886 -1.996 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.759 -16.737 -4.362 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.096 -17.831 -4.655 1.00 0.00 H new ATOM 1363 N GLN A 87 -11.147 -16.315 0.074 1.00 0.00 N ATOM 1364 CA GLN A 87 -11.607 -15.226 0.928 1.00 0.00 C ATOM 1365 C GLN A 87 -10.443 -14.335 1.349 1.00 0.00 C ATOM 1366 O GLN A 87 -10.563 -13.110 1.373 1.00 0.00 O ATOM 1367 CB GLN A 87 -12.311 -15.785 2.166 1.00 0.00 C ATOM 1368 CG GLN A 87 -11.355 -16.225 3.263 1.00 0.00 C ATOM 1369 CD GLN A 87 -12.013 -17.136 4.280 1.00 0.00 C ATOM 1370 OE1 GLN A 87 -12.994 -17.817 3.977 1.00 0.00 O ATOM 1371 NE2 GLN A 87 -11.477 -17.154 5.494 1.00 0.00 N ATOM 0 H GLN A 87 -11.303 -17.247 0.457 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.313 -14.623 0.357 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.984 -15.026 2.565 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.928 -16.634 1.871 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -10.506 -16.741 2.814 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -10.961 -15.345 3.771 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -10.664 -16.574 5.701 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -11.878 -17.748 6.220 1.00 0.00 H new ATOM 1380 N ASP A 88 -9.317 -14.958 1.680 1.00 0.00 N ATOM 1381 CA ASP A 88 -8.131 -14.222 2.100 1.00 0.00 C ATOM 1382 C ASP A 88 -7.640 -13.302 0.986 1.00 0.00 C ATOM 1383 O ASP A 88 -7.286 -12.149 1.231 1.00 0.00 O ATOM 1384 CB ASP A 88 -7.019 -15.191 2.505 1.00 0.00 C ATOM 1385 CG ASP A 88 -6.080 -14.597 3.536 1.00 0.00 C ATOM 1386 OD1 ASP A 88 -6.520 -13.713 4.300 1.00 0.00 O ATOM 1387 OD2 ASP A 88 -4.904 -15.016 3.579 1.00 0.00 O ATOM 0 H ASP A 88 -9.201 -15.971 1.665 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.400 -13.610 2.961 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.463 -16.102 2.905 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.449 -15.476 1.620 1.00 0.00 H new ATOM 1392 N TYR A 89 -7.620 -13.821 -0.236 1.00 0.00 N ATOM 1393 CA TYR A 89 -7.169 -13.048 -1.387 1.00 0.00 C ATOM 1394 C TYR A 89 -8.037 -11.810 -1.586 1.00 0.00 C ATOM 1395 O TYR A 89 -7.590 -10.683 -1.373 1.00 0.00 O ATOM 1396 CB TYR A 89 -7.195 -13.911 -2.650 1.00 0.00 C ATOM 1397 CG TYR A 89 -7.255 -13.110 -3.930 1.00 0.00 C ATOM 1398 CD1 TYR A 89 -6.099 -12.594 -4.505 1.00 0.00 C ATOM 1399 CD2 TYR A 89 -8.467 -12.867 -4.566 1.00 0.00 C ATOM 1400 CE1 TYR A 89 -6.149 -11.860 -5.674 1.00 0.00 C ATOM 1401 CE2 TYR A 89 -8.526 -12.135 -5.736 1.00 0.00 C ATOM 1402 CZ TYR A 89 -7.364 -11.634 -6.286 1.00 0.00 C ATOM 1403 OH TYR A 89 -7.419 -10.904 -7.451 1.00 0.00 O ATOM 0 H TYR A 89 -7.911 -14.774 -0.455 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.145 -12.725 -1.197 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.306 -14.541 -2.667 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.057 -14.577 -2.607 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.146 -12.770 -4.029 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.378 -13.257 -4.138 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.242 -11.465 -6.106 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -9.476 -11.956 -6.217 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.349 -10.838 -7.752 1.00 0.00 H new ATOM 1413 N VAL A 90 -9.283 -12.028 -1.996 1.00 0.00 N ATOM 1414 CA VAL A 90 -10.217 -10.932 -2.222 1.00 0.00 C ATOM 1415 C VAL A 90 -9.997 -9.806 -1.217 1.00 0.00 C ATOM 1416 O VAL A 90 -9.917 -8.636 -1.588 1.00 0.00 O ATOM 1417 CB VAL A 90 -11.678 -11.410 -2.129 1.00 0.00 C ATOM 1418 CG1 VAL A 90 -12.635 -10.258 -2.395 1.00 0.00 C ATOM 1419 CG2 VAL A 90 -11.926 -12.555 -3.099 1.00 0.00 C ATOM 0 H VAL A 90 -9.669 -12.955 -2.178 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.029 -10.559 -3.229 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.859 -11.775 -1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.662 -10.615 -2.325 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.473 -9.472 -1.657 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.457 -9.860 -3.394 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.963 -12.881 -3.020 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.728 -12.219 -4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.265 -13.387 -2.856 1.00 0.00 H new ATOM 1429 N ALA A 91 -9.900 -10.170 0.058 1.00 0.00 N ATOM 1430 CA ALA A 91 -9.686 -9.191 1.116 1.00 0.00 C ATOM 1431 C ALA A 91 -8.342 -8.490 0.954 1.00 0.00 C ATOM 1432 O ALA A 91 -8.285 -7.290 0.685 1.00 0.00 O ATOM 1433 CB ALA A 91 -9.773 -9.861 2.480 1.00 0.00 C ATOM 0 H ALA A 91 -9.966 -11.135 0.382 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.470 -8.437 1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.611 -9.118 3.261 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.759 -10.308 2.603 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.011 -10.637 2.554 1.00 0.00 H new ATOM 1439 N TRP A 92 -7.263 -9.246 1.119 1.00 0.00 N ATOM 1440 CA TRP A 92 -5.918 -8.697 0.991 1.00 0.00 C ATOM 1441 C TRP A 92 -5.869 -7.622 -0.090 1.00 0.00 C ATOM 1442 O TRP A 92 -5.461 -6.489 0.167 1.00 0.00 O ATOM 1443 CB TRP A 92 -4.919 -9.809 0.667 1.00 0.00 C ATOM 1444 CG TRP A 92 -4.319 -10.443 1.886 1.00 0.00 C ATOM 1445 CD1 TRP A 92 -4.423 -11.751 2.264 1.00 0.00 C ATOM 1446 CD2 TRP A 92 -3.525 -9.795 2.886 1.00 0.00 C ATOM 1447 NE1 TRP A 92 -3.741 -11.955 3.440 1.00 0.00 N ATOM 1448 CE2 TRP A 92 -3.181 -10.771 3.841 1.00 0.00 C ATOM 1449 CE3 TRP A 92 -3.070 -8.486 3.066 1.00 0.00 C ATOM 1450 CZ2 TRP A 92 -2.404 -10.477 4.958 1.00 0.00 C ATOM 1451 CZ3 TRP A 92 -2.299 -8.196 4.176 1.00 0.00 C ATOM 1452 CH2 TRP A 92 -1.972 -9.188 5.110 1.00 0.00 C ATOM 0 H TRP A 92 -7.293 -10.241 1.342 1.00 0.00 H new ATOM 0 HA TRP A 92 -5.647 -8.241 1.943 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -5.419 -10.576 0.076 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -4.120 -9.401 0.048 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -4.961 -12.513 1.720 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -3.664 -12.844 3.934 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -3.316 -7.715 2.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.151 -11.240 5.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -1.943 -7.188 4.326 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -1.367 -8.930 5.967 1.00 0.00 H new ATOM 1463 N ILE A 93 -6.288 -7.984 -1.297 1.00 0.00 N ATOM 1464 CA ILE A 93 -6.294 -7.050 -2.416 1.00 0.00 C ATOM 1465 C ILE A 93 -7.077 -5.787 -2.073 1.00 0.00 C ATOM 1466 O ILE A 93 -6.622 -4.673 -2.331 1.00 0.00 O ATOM 1467 CB ILE A 93 -6.898 -7.688 -3.680 1.00 0.00 C ATOM 1468 CG1 ILE A 93 -5.999 -8.818 -4.187 1.00 0.00 C ATOM 1469 CG2 ILE A 93 -7.096 -6.637 -4.762 1.00 0.00 C ATOM 1470 CD1 ILE A 93 -4.614 -8.357 -4.584 1.00 0.00 C ATOM 0 H ILE A 93 -6.628 -8.918 -1.526 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.255 -6.788 -2.614 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.871 -8.108 -3.426 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.911 -9.578 -3.410 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.475 -9.293 -5.045 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -7.524 -7.104 -5.649 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.772 -5.863 -4.398 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.135 -6.190 -5.015 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.033 -9.210 -4.933 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.691 -7.619 -5.383 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.119 -7.909 -3.723 1.00 0.00 H new ATOM 1482 N SER A 94 -8.257 -5.970 -1.489 1.00 0.00 N ATOM 1483 CA SER A 94 -9.106 -4.845 -1.113 1.00 0.00 C ATOM 1484 C SER A 94 -8.380 -3.919 -0.141 1.00 0.00 C ATOM 1485 O SER A 94 -8.472 -2.696 -0.247 1.00 0.00 O ATOM 1486 CB SER A 94 -10.405 -5.349 -0.481 1.00 0.00 C ATOM 1487 OG SER A 94 -11.256 -5.925 -1.456 1.00 0.00 O ATOM 0 H SER A 94 -8.647 -6.886 -1.266 1.00 0.00 H new ATOM 0 HA SER A 94 -9.344 -4.282 -2.016 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.177 -6.087 0.288 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.918 -4.523 0.012 1.00 0.00 H new ATOM 0 HG SER A 94 -10.977 -6.849 -1.629 1.00 0.00 H new ATOM 1493 N VAL A 95 -7.660 -4.511 0.805 1.00 0.00 N ATOM 1494 CA VAL A 95 -6.917 -3.741 1.796 1.00 0.00 C ATOM 1495 C VAL A 95 -5.712 -3.052 1.165 1.00 0.00 C ATOM 1496 O VAL A 95 -5.684 -1.828 1.028 1.00 0.00 O ATOM 1497 CB VAL A 95 -6.436 -4.633 2.955 1.00 0.00 C ATOM 1498 CG1 VAL A 95 -6.396 -3.844 4.255 1.00 0.00 C ATOM 1499 CG2 VAL A 95 -7.329 -5.856 3.092 1.00 0.00 C ATOM 0 H VAL A 95 -7.575 -5.522 0.907 1.00 0.00 H new ATOM 0 HA VAL A 95 -7.600 -2.987 2.188 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.425 -4.973 2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.054 -4.491 5.063 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.711 -3.003 4.149 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.394 -3.472 4.486 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.974 -6.475 3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.353 -5.539 3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.301 -6.432 2.167 1.00 0.00 H new ATOM 1509 N LEU A 96 -4.718 -3.845 0.782 1.00 0.00 N ATOM 1510 CA LEU A 96 -3.508 -3.312 0.164 1.00 0.00 C ATOM 1511 C LEU A 96 -3.826 -2.084 -0.684 1.00 0.00 C ATOM 1512 O LEU A 96 -3.186 -1.040 -0.549 1.00 0.00 O ATOM 1513 CB LEU A 96 -2.838 -4.382 -0.698 1.00 0.00 C ATOM 1514 CG LEU A 96 -2.421 -5.663 0.025 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -2.393 -6.837 -0.941 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -1.063 -5.483 0.689 1.00 0.00 C ATOM 0 H LEU A 96 -4.725 -4.859 0.888 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.824 -3.015 0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.520 -4.650 -1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.953 -3.945 -1.161 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.157 -5.875 0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.094 -7.740 -0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.385 -6.980 -1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.679 -6.634 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.782 -6.405 1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.316 -5.245 -0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.117 -4.670 1.413 1.00 0.00 H new ATOM 1528 N THR A 97 -4.819 -2.215 -1.557 1.00 0.00 N ATOM 1529 CA THR A 97 -5.223 -1.117 -2.426 1.00 0.00 C ATOM 1530 C THR A 97 -5.877 0.004 -1.628 1.00 0.00 C ATOM 1531 O THR A 97 -5.475 1.163 -1.724 1.00 0.00 O ATOM 1532 CB THR A 97 -6.201 -1.594 -3.516 1.00 0.00 C ATOM 1533 OG1 THR A 97 -5.877 -2.931 -3.915 1.00 0.00 O ATOM 1534 CG2 THR A 97 -6.154 -0.673 -4.726 1.00 0.00 C ATOM 0 H THR A 97 -5.359 -3.071 -1.681 1.00 0.00 H new ATOM 0 HA THR A 97 -4.317 -0.740 -2.901 1.00 0.00 H new ATOM 0 HB THR A 97 -7.209 -1.573 -3.102 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.543 -3.551 -3.551 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.853 -1.030 -5.482 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.430 0.338 -4.425 1.00 0.00 H new ATOM 0 HG23 THR A 97 -5.145 -0.666 -5.139 1.00 0.00 H new ATOM 1542 N ASN A 98 -6.886 -0.348 -0.839 1.00 0.00 N ATOM 1543 CA ASN A 98 -7.596 0.630 -0.023 1.00 0.00 C ATOM 1544 C ASN A 98 -6.616 1.513 0.744 1.00 0.00 C ATOM 1545 O ASN A 98 -6.573 2.727 0.547 1.00 0.00 O ATOM 1546 CB ASN A 98 -8.536 -0.077 0.956 1.00 0.00 C ATOM 1547 CG ASN A 98 -9.835 -0.507 0.301 1.00 0.00 C ATOM 1548 OD1 ASN A 98 -10.275 0.090 -0.681 1.00 0.00 O ATOM 1549 ND2 ASN A 98 -10.454 -1.549 0.845 1.00 0.00 N ATOM 0 H ASN A 98 -7.231 -1.304 -0.747 1.00 0.00 H new ATOM 0 HA ASN A 98 -8.184 1.262 -0.688 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -8.034 -0.951 1.370 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.756 0.589 1.790 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.332 -1.885 0.448 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.052 -2.013 1.659 1.00 0.00 H new ATOM 1556 N SER A 99 -5.830 0.893 1.619 1.00 0.00 N ATOM 1557 CA SER A 99 -4.852 1.622 2.419 1.00 0.00 C ATOM 1558 C SER A 99 -4.146 2.682 1.579 1.00 0.00 C ATOM 1559 O SER A 99 -3.959 3.817 2.019 1.00 0.00 O ATOM 1560 CB SER A 99 -3.824 0.656 3.011 1.00 0.00 C ATOM 1561 OG SER A 99 -3.286 1.163 4.219 1.00 0.00 O ATOM 0 H SER A 99 -5.851 -0.112 1.792 1.00 0.00 H new ATOM 0 HA SER A 99 -5.382 2.120 3.231 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.292 -0.311 3.195 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.021 0.489 2.293 1.00 0.00 H new ATOM 0 HG SER A 99 -4.014 1.477 4.795 1.00 0.00 H new ATOM 1567 N LYS A 100 -3.757 2.304 0.366 1.00 0.00 N ATOM 1568 CA LYS A 100 -3.072 3.221 -0.538 1.00 0.00 C ATOM 1569 C LYS A 100 -3.891 4.490 -0.749 1.00 0.00 C ATOM 1570 O LYS A 100 -3.468 5.582 -0.369 1.00 0.00 O ATOM 1571 CB LYS A 100 -2.810 2.541 -1.884 1.00 0.00 C ATOM 1572 CG LYS A 100 -1.574 3.061 -2.598 1.00 0.00 C ATOM 1573 CD LYS A 100 -1.663 2.840 -4.099 1.00 0.00 C ATOM 1574 CE LYS A 100 -0.382 3.265 -4.801 1.00 0.00 C ATOM 1575 NZ LYS A 100 0.595 2.146 -4.899 1.00 0.00 N ATOM 0 H LYS A 100 -3.904 1.369 -0.014 1.00 0.00 H new ATOM 0 HA LYS A 100 -2.120 3.496 -0.084 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.703 1.468 -1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.678 2.683 -2.528 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.454 4.125 -2.392 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.689 2.559 -2.207 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.858 1.787 -4.302 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.504 3.404 -4.502 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.619 3.628 -5.801 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.070 4.096 -4.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.351 2.403 -5.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.007 1.962 -3.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.110 1.291 -5.238 1.00 0.00 H new ATOM 1589 N GLU A 101 -5.064 4.338 -1.355 1.00 0.00 N ATOM 1590 CA GLU A 101 -5.942 5.474 -1.615 1.00 0.00 C ATOM 1591 C GLU A 101 -6.227 6.246 -0.330 1.00 0.00 C ATOM 1592 O GLU A 101 -5.992 7.452 -0.254 1.00 0.00 O ATOM 1593 CB GLU A 101 -7.255 4.999 -2.240 1.00 0.00 C ATOM 1594 CG GLU A 101 -7.117 4.558 -3.687 1.00 0.00 C ATOM 1595 CD GLU A 101 -6.790 5.709 -4.619 1.00 0.00 C ATOM 1596 OE1 GLU A 101 -5.672 6.257 -4.514 1.00 0.00 O ATOM 1597 OE2 GLU A 101 -7.650 6.062 -5.452 1.00 0.00 O ATOM 0 H GLU A 101 -5.429 3.441 -1.675 1.00 0.00 H new ATOM 0 HA GLU A 101 -5.436 6.140 -2.314 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.648 4.169 -1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -7.987 5.805 -2.183 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -6.334 3.803 -3.760 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -8.045 4.087 -4.009 1.00 0.00 H new ATOM 1604 N GLU A 102 -6.734 5.542 0.677 1.00 0.00 N ATOM 1605 CA GLU A 102 -7.053 6.162 1.958 1.00 0.00 C ATOM 1606 C GLU A 102 -5.885 7.008 2.458 1.00 0.00 C ATOM 1607 O GLU A 102 -6.082 8.025 3.123 1.00 0.00 O ATOM 1608 CB GLU A 102 -7.402 5.092 2.994 1.00 0.00 C ATOM 1609 CG GLU A 102 -8.742 4.419 2.746 1.00 0.00 C ATOM 1610 CD GLU A 102 -9.910 5.240 3.256 1.00 0.00 C ATOM 1611 OE1 GLU A 102 -9.712 6.438 3.548 1.00 0.00 O ATOM 1612 OE2 GLU A 102 -11.024 4.684 3.363 1.00 0.00 O ATOM 0 H GLU A 102 -6.933 4.543 0.631 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.915 6.813 1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.619 4.333 2.998 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.411 5.547 3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.865 4.245 1.677 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.749 3.443 3.231 1.00 0.00 H new ATOM 1619 N ALA A 103 -4.670 6.580 2.133 1.00 0.00 N ATOM 1620 CA ALA A 103 -3.471 7.297 2.547 1.00 0.00 C ATOM 1621 C ALA A 103 -3.235 8.523 1.671 1.00 0.00 C ATOM 1622 O ALA A 103 -2.687 9.528 2.127 1.00 0.00 O ATOM 1623 CB ALA A 103 -2.262 6.375 2.504 1.00 0.00 C ATOM 0 H ALA A 103 -4.490 5.740 1.584 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.617 7.637 3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.374 6.925 2.816 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.423 5.533 3.177 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.122 6.006 1.488 1.00 0.00 H new ATOM 1629 N LEU A 104 -3.651 8.435 0.413 1.00 0.00 N ATOM 1630 CA LEU A 104 -3.485 9.537 -0.527 1.00 0.00 C ATOM 1631 C LEU A 104 -4.581 10.581 -0.343 1.00 0.00 C ATOM 1632 O LEU A 104 -4.303 11.749 -0.069 1.00 0.00 O ATOM 1633 CB LEU A 104 -3.500 9.014 -1.965 1.00 0.00 C ATOM 1634 CG LEU A 104 -2.222 8.324 -2.441 1.00 0.00 C ATOM 1635 CD1 LEU A 104 -2.470 7.581 -3.745 1.00 0.00 C ATOM 1636 CD2 LEU A 104 -1.099 9.337 -2.608 1.00 0.00 C ATOM 0 H LEU A 104 -4.106 7.611 0.020 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.523 10.009 -0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.328 8.312 -2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.708 9.850 -2.632 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.921 7.599 -1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.549 7.096 -4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.243 6.827 -3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.796 8.286 -4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.197 8.828 -2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.391 10.086 -3.344 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.903 9.824 -1.653 1.00 0.00 H new ATOM 1648 N THR A 105 -5.831 10.152 -0.492 1.00 0.00 N ATOM 1649 CA THR A 105 -6.970 11.049 -0.341 1.00 0.00 C ATOM 1650 C THR A 105 -6.913 11.790 0.990 1.00 0.00 C ATOM 1651 O THR A 105 -7.550 12.829 1.160 1.00 0.00 O ATOM 1652 CB THR A 105 -8.303 10.284 -0.432 1.00 0.00 C ATOM 1653 OG1 THR A 105 -9.377 11.198 -0.679 1.00 0.00 O ATOM 1654 CG2 THR A 105 -8.573 9.511 0.850 1.00 0.00 C ATOM 0 H THR A 105 -6.080 9.189 -0.717 1.00 0.00 H new ATOM 0 HA THR A 105 -6.916 11.769 -1.158 1.00 0.00 H new ATOM 0 HB THR A 105 -8.233 9.575 -1.257 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.258 11.999 -0.127 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.520 8.979 0.761 1.00 0.00 H new ATOM 0 HG22 THR A 105 -7.769 8.795 1.019 1.00 0.00 H new ATOM 0 HG23 THR A 105 -8.624 10.205 1.689 1.00 0.00 H new