USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=26 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 94 SER OG : rot 170:sc= 0.524 USER MOD Set 1.2: A 98 ASN : amide:sc= -3.15! C(o=-2.6!,f=-4.6!) USER MOD Set 2.1: A 75 HIS : no HD1:sc= -1.17 K(o=-3.4,f=-5.1!) USER MOD Set 2.2: A 76 ASN : amide:sc= -2.21! C(o=-3.4!,f=-8.3!) USER MOD Set 3.1: A 58 CYS SG : rot 91:sc= -0.683 USER MOD Set 3.2: A 74 SER OG : rot 106:sc= 1.89 USER MOD Set 4.1: A 54 ASN : amide:sc= -5.62! C(o=-5.6!,f=-14!) USER MOD Set 4.2: A 57 THR OG1 : rot 180:sc=-0.00316 USER MOD Set 5.1: A 19 LYS NZ :NH3+ 165:sc= -0.195 (180deg=-0.721) USER MOD Set 5.2: A 80 HIS : no HD1:sc= -0.114 K(o=-0.31,f=-0.82) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 130:sc= -0.968! USER MOD Single : A 12 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00595) USER MOD Single : A 13 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.254) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -106:sc= 0.405 (180deg=-0.346) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -130:sc= -1.54 USER MOD Single : A 33 SER OG : rot 180:sc= -0.783 USER MOD Single : A 35 LYS NZ :NH3+ -142:sc= -0.212 (180deg=-1.17) USER MOD Single : A 36 ASN : amide:sc= -0.0235 X(o=-0.024,f=-0.33) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 40:sc= 0.361 USER MOD Single : A 52 LYS NZ :NH3+ 167:sc=-0.00317 (180deg=-0.0979) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -6.29! C(o=-6.3!,f=-15!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.0235 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc=0.000297 USER MOD Single : A 82 GLN :FLIP amide:sc= -0.758 F(o=-1.6,f=-0.76) USER MOD Single : A 87 GLN : amide:sc= -0.299 X(o=-0.3,f=0) USER MOD Single : A 89 TYR OH : rot 180:sc= -0.0714 USER MOD Single : A 97 THR OG1 : rot 86:sc= 1.26 USER MOD Single : A 99 SER OG : rot 140:sc= -0.943 USER MOD Single : A 100 LYS NZ :NH3+ 179:sc= 0.182 (180deg=0.181) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -13.889 -3.397 2.854 1.00 0.00 N ATOM 67 CA TYR A 8 -13.192 -4.420 3.625 1.00 0.00 C ATOM 68 C TYR A 8 -12.390 -3.793 4.761 1.00 0.00 C ATOM 69 O TYR A 8 -12.456 -4.242 5.905 1.00 0.00 O ATOM 70 CB TYR A 8 -12.264 -5.229 2.717 1.00 0.00 C ATOM 71 CG TYR A 8 -12.976 -6.303 1.926 1.00 0.00 C ATOM 72 CD1 TYR A 8 -13.885 -5.972 0.929 1.00 0.00 C ATOM 73 CD2 TYR A 8 -12.739 -7.649 2.176 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.539 -6.950 0.205 1.00 0.00 C ATOM 75 CE2 TYR A 8 -13.387 -8.634 1.455 1.00 0.00 C ATOM 76 CZ TYR A 8 -14.286 -8.279 0.471 1.00 0.00 C ATOM 77 OH TYR A 8 -14.934 -9.257 -0.249 1.00 0.00 O ATOM 0 HA TYR A 8 -13.939 -5.086 4.056 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -11.765 -4.551 2.025 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -11.487 -5.692 3.326 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.084 -4.932 0.716 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -12.037 -7.930 2.947 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -15.245 -6.675 -0.565 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.191 -9.676 1.661 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.642 -10.139 0.062 1.00 0.00 H new ATOM 87 N GLY A 9 -11.631 -2.750 4.437 1.00 0.00 N ATOM 88 CA GLY A 9 -10.827 -2.077 5.441 1.00 0.00 C ATOM 89 C GLY A 9 -9.456 -1.693 4.922 1.00 0.00 C ATOM 90 O GLY A 9 -8.943 -2.309 3.987 1.00 0.00 O ATOM 0 H GLY A 9 -11.559 -2.359 3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.348 -1.181 5.779 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.715 -2.727 6.308 1.00 0.00 H new ATOM 94 N SER A 10 -8.860 -0.672 5.529 1.00 0.00 N ATOM 95 CA SER A 10 -7.542 -0.202 5.120 1.00 0.00 C ATOM 96 C SER A 10 -6.441 -1.001 5.812 1.00 0.00 C ATOM 97 O SER A 10 -5.413 -1.309 5.211 1.00 0.00 O ATOM 98 CB SER A 10 -7.385 1.286 5.439 1.00 0.00 C ATOM 99 OG SER A 10 -7.477 1.521 6.833 1.00 0.00 O ATOM 0 H SER A 10 -9.269 -0.154 6.306 1.00 0.00 H new ATOM 0 HA SER A 10 -7.451 -0.347 4.044 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.423 1.641 5.070 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.155 1.856 4.919 1.00 0.00 H new ATOM 0 HG SER A 10 -6.717 2.067 7.124 1.00 0.00 H new ATOM 105 N GLU A 11 -6.668 -1.333 7.079 1.00 0.00 N ATOM 106 CA GLU A 11 -5.695 -2.095 7.854 1.00 0.00 C ATOM 107 C GLU A 11 -6.151 -3.541 8.028 1.00 0.00 C ATOM 108 O GLU A 11 -7.332 -3.810 8.249 1.00 0.00 O ATOM 109 CB GLU A 11 -5.482 -1.448 9.224 1.00 0.00 C ATOM 110 CG GLU A 11 -4.888 -0.052 9.151 1.00 0.00 C ATOM 111 CD GLU A 11 -5.945 1.025 8.999 1.00 0.00 C ATOM 112 OE1 GLU A 11 -7.116 0.758 9.343 1.00 0.00 O ATOM 113 OE2 GLU A 11 -5.602 2.133 8.536 1.00 0.00 O ATOM 0 H GLU A 11 -7.516 -1.087 7.590 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.752 -2.092 7.308 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.437 -1.400 9.747 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.825 -2.083 9.818 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.307 0.139 10.053 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.197 0.001 8.310 1.00 0.00 H new ATOM 120 N LYS A 12 -5.207 -4.470 7.925 1.00 0.00 N ATOM 121 CA LYS A 12 -5.508 -5.889 8.071 1.00 0.00 C ATOM 122 C LYS A 12 -4.254 -6.677 8.432 1.00 0.00 C ATOM 123 O LYS A 12 -3.168 -6.405 7.921 1.00 0.00 O ATOM 124 CB LYS A 12 -6.114 -6.438 6.778 1.00 0.00 C ATOM 125 CG LYS A 12 -6.288 -7.947 6.780 1.00 0.00 C ATOM 126 CD LYS A 12 -6.218 -8.519 5.374 1.00 0.00 C ATOM 127 CE LYS A 12 -6.062 -10.032 5.395 1.00 0.00 C ATOM 128 NZ LYS A 12 -7.249 -10.703 5.992 1.00 0.00 N ATOM 0 H LYS A 12 -4.225 -4.265 7.741 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.230 -6.000 8.880 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.084 -5.969 6.614 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.477 -6.155 5.940 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.514 -8.402 7.398 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.247 -8.203 7.230 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.122 -8.253 4.826 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.379 -8.073 4.840 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.912 -10.396 4.379 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.171 -10.297 5.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.119 -11.734 5.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.358 -10.401 6.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.101 -10.443 5.455 1.00 0.00 H new ATOM 142 N LYS A 13 -4.411 -7.657 9.316 1.00 0.00 N ATOM 143 CA LYS A 13 -3.292 -8.488 9.744 1.00 0.00 C ATOM 144 C LYS A 13 -3.600 -9.967 9.532 1.00 0.00 C ATOM 145 O LYS A 13 -4.740 -10.402 9.688 1.00 0.00 O ATOM 146 CB LYS A 13 -2.972 -8.229 11.218 1.00 0.00 C ATOM 147 CG LYS A 13 -2.502 -6.812 11.499 1.00 0.00 C ATOM 148 CD LYS A 13 -2.518 -6.504 12.986 1.00 0.00 C ATOM 149 CE LYS A 13 -1.192 -6.855 13.642 1.00 0.00 C ATOM 150 NZ LYS A 13 -1.166 -8.265 14.122 1.00 0.00 N ATOM 0 H LYS A 13 -5.303 -7.895 9.750 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.425 -8.225 9.139 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.861 -8.433 11.815 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.202 -8.929 11.542 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.493 -6.679 11.110 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.143 -6.104 10.973 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.731 -5.446 13.137 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.322 -7.063 13.466 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.382 -6.699 12.930 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.013 -6.183 14.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.958 -8.281 15.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.092 -8.707 13.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.430 -8.792 13.610 1.00 0.00 H new ATOM 164 N GLY A 14 -2.575 -10.736 9.178 1.00 0.00 N ATOM 165 CA GLY A 14 -2.757 -12.158 8.952 1.00 0.00 C ATOM 166 C GLY A 14 -1.486 -12.838 8.483 1.00 0.00 C ATOM 167 O GLY A 14 -0.412 -12.616 9.043 1.00 0.00 O ATOM 0 H GLY A 14 -1.622 -10.400 9.044 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.098 -12.629 9.874 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.541 -12.307 8.209 1.00 0.00 H new ATOM 171 N TYR A 15 -1.608 -13.671 7.455 1.00 0.00 N ATOM 172 CA TYR A 15 -0.460 -14.389 6.914 1.00 0.00 C ATOM 173 C TYR A 15 -0.555 -14.503 5.396 1.00 0.00 C ATOM 174 O TYR A 15 -1.636 -14.378 4.818 1.00 0.00 O ATOM 175 CB TYR A 15 -0.365 -15.783 7.536 1.00 0.00 C ATOM 176 CG TYR A 15 0.455 -15.826 8.805 1.00 0.00 C ATOM 177 CD1 TYR A 15 -0.005 -15.229 9.973 1.00 0.00 C ATOM 178 CD2 TYR A 15 1.690 -16.461 8.837 1.00 0.00 C ATOM 179 CE1 TYR A 15 0.742 -15.264 11.135 1.00 0.00 C ATOM 180 CE2 TYR A 15 2.443 -16.502 9.995 1.00 0.00 C ATOM 181 CZ TYR A 15 1.964 -15.903 11.141 1.00 0.00 C ATOM 182 OH TYR A 15 2.711 -15.941 12.296 1.00 0.00 O ATOM 0 H TYR A 15 -2.490 -13.865 6.980 1.00 0.00 H new ATOM 0 HA TYR A 15 0.439 -13.825 7.162 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.370 -16.145 7.751 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.071 -16.467 6.808 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.962 -14.729 9.972 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.068 -16.931 7.941 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.371 -14.794 12.033 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.401 -17.000 10.002 1.00 0.00 H new ATOM 0 HH TYR A 15 3.544 -16.430 12.131 1.00 0.00 H new ATOM 192 N LEU A 16 0.584 -14.741 4.755 1.00 0.00 N ATOM 193 CA LEU A 16 0.632 -14.872 3.302 1.00 0.00 C ATOM 194 C LEU A 16 1.793 -15.763 2.874 1.00 0.00 C ATOM 195 O LEU A 16 2.712 -16.022 3.654 1.00 0.00 O ATOM 196 CB LEU A 16 0.763 -13.495 2.650 1.00 0.00 C ATOM 197 CG LEU A 16 -0.548 -12.763 2.359 1.00 0.00 C ATOM 198 CD1 LEU A 16 -0.272 -11.360 1.840 1.00 0.00 C ATOM 199 CD2 LEU A 16 -1.387 -13.547 1.361 1.00 0.00 C ATOM 0 H LEU A 16 1.487 -14.847 5.218 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.298 -15.336 2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.372 -12.865 3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.308 -13.609 1.713 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.110 -12.680 3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.216 -10.854 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.288 -10.799 2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.311 -11.420 0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.316 -13.011 1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.832 -13.662 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.615 -14.531 1.771 1.00 0.00 H new ATOM 211 N LEU A 17 1.748 -16.229 1.631 1.00 0.00 N ATOM 212 CA LEU A 17 2.798 -17.089 1.097 1.00 0.00 C ATOM 213 C LEU A 17 3.808 -16.280 0.291 1.00 0.00 C ATOM 214 O LEU A 17 3.456 -15.292 -0.355 1.00 0.00 O ATOM 215 CB LEU A 17 2.190 -18.186 0.221 1.00 0.00 C ATOM 216 CG LEU A 17 1.239 -19.156 0.923 1.00 0.00 C ATOM 217 CD1 LEU A 17 0.381 -19.892 -0.094 1.00 0.00 C ATOM 218 CD2 LEU A 17 2.020 -20.143 1.779 1.00 0.00 C ATOM 0 H LEU A 17 0.995 -16.026 0.974 1.00 0.00 H new ATOM 0 HA LEU A 17 3.318 -17.550 1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.652 -17.711 -0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.003 -18.762 -0.222 1.00 0.00 H new ATOM 0 HG LEU A 17 0.581 -18.582 1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.289 -20.578 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.206 -19.172 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.023 -20.455 -0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.327 -20.826 2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.703 -20.712 1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.590 -19.600 2.532 1.00 0.00 H new ATOM 230 N LYS A 18 5.067 -16.705 0.331 1.00 0.00 N ATOM 231 CA LYS A 18 6.129 -16.022 -0.399 1.00 0.00 C ATOM 232 C LYS A 18 6.907 -17.003 -1.270 1.00 0.00 C ATOM 233 O LYS A 18 6.962 -18.198 -0.981 1.00 0.00 O ATOM 234 CB LYS A 18 7.080 -15.325 0.577 1.00 0.00 C ATOM 235 CG LYS A 18 7.748 -14.091 -0.002 1.00 0.00 C ATOM 236 CD LYS A 18 8.373 -13.233 1.085 1.00 0.00 C ATOM 237 CE LYS A 18 9.255 -12.142 0.497 1.00 0.00 C ATOM 238 NZ LYS A 18 8.456 -11.110 -0.220 1.00 0.00 N ATOM 0 H LYS A 18 5.377 -17.519 0.861 1.00 0.00 H new ATOM 0 HA LYS A 18 5.669 -15.274 -1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.526 -15.042 1.472 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.849 -16.032 0.889 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.515 -14.392 -0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.014 -13.504 -0.553 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.587 -12.780 1.689 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.965 -13.861 1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.828 -11.669 1.295 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.974 -12.587 -0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.575 -11.230 -1.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.451 -11.216 0.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.783 -10.163 0.058 1.00 0.00 H new ATOM 252 N LYS A 19 7.509 -16.489 -2.337 1.00 0.00 N ATOM 253 CA LYS A 19 8.288 -17.319 -3.250 1.00 0.00 C ATOM 254 C LYS A 19 9.692 -17.557 -2.705 1.00 0.00 C ATOM 255 O LYS A 19 10.324 -16.646 -2.170 1.00 0.00 O ATOM 256 CB LYS A 19 8.369 -16.658 -4.628 1.00 0.00 C ATOM 257 CG LYS A 19 8.569 -17.645 -5.765 1.00 0.00 C ATOM 258 CD LYS A 19 7.275 -18.360 -6.116 1.00 0.00 C ATOM 259 CE LYS A 19 6.308 -17.438 -6.843 1.00 0.00 C ATOM 260 NZ LYS A 19 6.909 -16.868 -8.080 1.00 0.00 N ATOM 0 H LYS A 19 7.473 -15.502 -2.591 1.00 0.00 H new ATOM 0 HA LYS A 19 7.786 -18.282 -3.344 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.454 -16.093 -4.805 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.191 -15.942 -4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.945 -17.119 -6.643 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.326 -18.377 -5.484 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.494 -19.225 -6.742 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.807 -18.735 -5.206 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.404 -17.990 -7.100 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.009 -16.628 -6.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.159 -16.459 -8.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.591 -16.126 -7.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.397 -17.620 -8.607 1.00 0.00 H new ATOM 385 N TRP A 27 6.176 -21.918 -2.572 1.00 0.00 N ATOM 386 CA TRP A 27 5.468 -20.959 -1.733 1.00 0.00 C ATOM 387 C TRP A 27 5.619 -21.311 -0.257 1.00 0.00 C ATOM 388 O TRP A 27 5.102 -22.329 0.203 1.00 0.00 O ATOM 389 CB TRP A 27 3.986 -20.916 -2.110 1.00 0.00 C ATOM 390 CG TRP A 27 3.722 -20.203 -3.401 1.00 0.00 C ATOM 391 CD1 TRP A 27 3.268 -20.755 -4.565 1.00 0.00 C ATOM 392 CD2 TRP A 27 3.899 -18.805 -3.660 1.00 0.00 C ATOM 393 NE1 TRP A 27 3.152 -19.785 -5.532 1.00 0.00 N ATOM 394 CE2 TRP A 27 3.532 -18.581 -5.001 1.00 0.00 C ATOM 395 CE3 TRP A 27 4.329 -17.722 -2.889 1.00 0.00 C ATOM 396 CZ2 TRP A 27 3.584 -17.318 -5.585 1.00 0.00 C ATOM 397 CZ3 TRP A 27 4.381 -16.470 -3.470 1.00 0.00 C ATOM 398 CH2 TRP A 27 4.009 -16.275 -4.807 1.00 0.00 C ATOM 0 HA TRP A 27 5.907 -19.975 -1.900 1.00 0.00 H new ATOM 0 HB2 TRP A 27 3.607 -21.935 -2.182 1.00 0.00 H new ATOM 0 HB3 TRP A 27 3.430 -20.425 -1.312 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.034 -21.800 -4.705 1.00 0.00 H new ATOM 0 HE1 TRP A 27 2.835 -19.937 -6.489 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.616 -17.861 -1.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 3.299 -17.167 -6.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.714 -15.626 -2.884 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.059 -15.283 -5.232 1.00 0.00 H new ATOM 409 N GLN A 28 6.330 -20.464 0.480 1.00 0.00 N ATOM 410 CA GLN A 28 6.549 -20.688 1.904 1.00 0.00 C ATOM 411 C GLN A 28 5.642 -19.792 2.741 1.00 0.00 C ATOM 412 O GLN A 28 5.444 -18.620 2.421 1.00 0.00 O ATOM 413 CB GLN A 28 8.013 -20.429 2.263 1.00 0.00 C ATOM 414 CG GLN A 28 8.998 -21.157 1.363 1.00 0.00 C ATOM 415 CD GLN A 28 10.333 -21.405 2.038 1.00 0.00 C ATOM 416 OE1 GLN A 28 10.820 -20.571 2.801 1.00 0.00 O ATOM 417 NE2 GLN A 28 10.932 -22.557 1.760 1.00 0.00 N ATOM 0 H GLN A 28 6.764 -19.616 0.115 1.00 0.00 H new ATOM 0 HA GLN A 28 6.307 -21.728 2.125 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.208 -19.358 2.209 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.184 -20.733 3.296 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.568 -22.110 1.056 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.157 -20.573 0.457 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.492 -23.220 1.121 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.832 -22.779 2.185 1.00 0.00 H new ATOM 426 N ARG A 29 5.093 -20.352 3.814 1.00 0.00 N ATOM 427 CA ARG A 29 4.206 -19.605 4.697 1.00 0.00 C ATOM 428 C ARG A 29 4.970 -18.512 5.438 1.00 0.00 C ATOM 429 O ARG A 29 6.027 -18.764 6.017 1.00 0.00 O ATOM 430 CB ARG A 29 3.538 -20.546 5.701 1.00 0.00 C ATOM 431 CG ARG A 29 2.474 -19.874 6.552 1.00 0.00 C ATOM 432 CD ARG A 29 2.013 -20.778 7.685 1.00 0.00 C ATOM 433 NE ARG A 29 1.468 -20.017 8.805 1.00 0.00 N ATOM 434 CZ ARG A 29 1.004 -20.576 9.918 1.00 0.00 C ATOM 435 NH1 ARG A 29 1.020 -21.895 10.057 1.00 0.00 N ATOM 436 NH2 ARG A 29 0.524 -19.816 10.893 1.00 0.00 N ATOM 0 H ARG A 29 5.247 -21.321 4.093 1.00 0.00 H new ATOM 0 HA ARG A 29 3.437 -19.135 4.084 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.087 -21.378 5.161 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.302 -20.967 6.355 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.869 -18.945 6.964 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.621 -19.608 5.927 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.256 -21.468 7.313 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.852 -21.382 8.031 1.00 0.00 H new ATOM 0 HE ARG A 29 1.442 -19.000 8.729 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.389 -22.482 9.309 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.663 -22.322 10.912 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.511 -18.801 10.789 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.168 -20.246 11.747 1.00 0.00 H new ATOM 450 N ARG A 30 4.429 -17.299 5.415 1.00 0.00 N ATOM 451 CA ARG A 30 5.061 -16.167 6.084 1.00 0.00 C ATOM 452 C ARG A 30 4.014 -15.261 6.725 1.00 0.00 C ATOM 453 O ARG A 30 2.854 -15.246 6.314 1.00 0.00 O ATOM 454 CB ARG A 30 5.904 -15.367 5.090 1.00 0.00 C ATOM 455 CG ARG A 30 7.337 -15.859 4.971 1.00 0.00 C ATOM 456 CD ARG A 30 8.185 -15.396 6.145 1.00 0.00 C ATOM 457 NE ARG A 30 8.772 -14.080 5.911 1.00 0.00 N ATOM 458 CZ ARG A 30 9.665 -13.833 4.960 1.00 0.00 C ATOM 459 NH1 ARG A 30 10.072 -14.807 4.158 1.00 0.00 N ATOM 460 NH2 ARG A 30 10.154 -12.608 4.808 1.00 0.00 N ATOM 0 H ARG A 30 3.555 -17.074 4.941 1.00 0.00 H new ATOM 0 HA ARG A 30 5.709 -16.556 6.869 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.431 -15.410 4.109 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.912 -14.320 5.394 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.346 -16.948 4.922 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.772 -15.494 4.041 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.571 -15.364 7.045 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.979 -16.120 6.326 1.00 0.00 H new ATOM 0 HE ARG A 30 8.480 -13.308 6.511 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.699 -15.750 4.270 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.758 -14.614 3.428 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.844 -11.855 5.422 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.840 -12.420 4.077 1.00 0.00 H new ATOM 474 N LYS A 31 4.432 -14.506 7.736 1.00 0.00 N ATOM 475 CA LYS A 31 3.533 -13.596 8.434 1.00 0.00 C ATOM 476 C LYS A 31 3.505 -12.230 7.756 1.00 0.00 C ATOM 477 O LYS A 31 4.540 -11.720 7.324 1.00 0.00 O ATOM 478 CB LYS A 31 3.963 -13.443 9.895 1.00 0.00 C ATOM 479 CG LYS A 31 2.936 -12.732 10.760 1.00 0.00 C ATOM 480 CD LYS A 31 3.595 -11.988 11.909 1.00 0.00 C ATOM 481 CE LYS A 31 2.618 -11.045 12.596 1.00 0.00 C ATOM 482 NZ LYS A 31 3.277 -10.248 13.667 1.00 0.00 N ATOM 0 H LYS A 31 5.389 -14.507 8.090 1.00 0.00 H new ATOM 0 HA LYS A 31 2.529 -14.019 8.399 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.157 -14.431 10.313 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.902 -12.891 9.933 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.368 -12.030 10.149 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.226 -13.459 11.155 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.981 -12.705 12.634 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.448 -11.421 11.535 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.183 -10.371 11.858 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.798 -11.621 13.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.578 -9.618 14.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.670 -10.889 14.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.043 -9.679 13.254 1.00 0.00 H new ATOM 496 N CYS A 32 2.317 -11.644 7.666 1.00 0.00 N ATOM 497 CA CYS A 32 2.155 -10.336 7.040 1.00 0.00 C ATOM 498 C CYS A 32 1.369 -9.393 7.945 1.00 0.00 C ATOM 499 O CYS A 32 0.618 -9.835 8.816 1.00 0.00 O ATOM 500 CB CYS A 32 1.447 -10.477 5.692 1.00 0.00 C ATOM 501 SG CYS A 32 2.560 -10.797 4.303 1.00 0.00 S ATOM 0 H CYS A 32 1.452 -12.053 8.018 1.00 0.00 H new ATOM 0 HA CYS A 32 3.146 -9.913 6.879 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.722 -11.289 5.757 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.886 -9.564 5.491 1.00 0.00 H new ATOM 0 HG CYS A 32 2.297 -9.969 3.336 1.00 0.00 H new ATOM 507 N SER A 33 1.548 -8.093 7.735 1.00 0.00 N ATOM 508 CA SER A 33 0.859 -7.088 8.536 1.00 0.00 C ATOM 509 C SER A 33 0.784 -5.758 7.791 1.00 0.00 C ATOM 510 O SER A 33 1.786 -5.269 7.269 1.00 0.00 O ATOM 511 CB SER A 33 1.573 -6.895 9.875 1.00 0.00 C ATOM 512 OG SER A 33 2.978 -6.828 9.700 1.00 0.00 O ATOM 0 H SER A 33 2.164 -7.711 7.017 1.00 0.00 H new ATOM 0 HA SER A 33 -0.156 -7.440 8.721 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.219 -5.981 10.351 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.326 -7.719 10.544 1.00 0.00 H new ATOM 0 HG SER A 33 3.410 -6.703 10.570 1.00 0.00 H new ATOM 518 N VAL A 34 -0.411 -5.178 7.747 1.00 0.00 N ATOM 519 CA VAL A 34 -0.618 -3.905 7.068 1.00 0.00 C ATOM 520 C VAL A 34 -1.196 -2.863 8.019 1.00 0.00 C ATOM 521 O VAL A 34 -2.273 -3.052 8.585 1.00 0.00 O ATOM 522 CB VAL A 34 -1.561 -4.060 5.860 1.00 0.00 C ATOM 523 CG1 VAL A 34 -2.207 -2.728 5.511 1.00 0.00 C ATOM 524 CG2 VAL A 34 -0.807 -4.625 4.665 1.00 0.00 C ATOM 0 H VAL A 34 -1.251 -5.570 8.174 1.00 0.00 H new ATOM 0 HA VAL A 34 0.358 -3.571 6.717 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.352 -4.761 6.127 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.869 -2.858 4.655 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.782 -2.368 6.364 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.433 -2.002 5.263 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.488 -4.728 3.820 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.006 -3.950 4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.397 -5.602 4.922 1.00 0.00 H new ATOM 534 N LYS A 35 -0.474 -1.760 8.189 1.00 0.00 N ATOM 535 CA LYS A 35 -0.914 -0.685 9.070 1.00 0.00 C ATOM 536 C LYS A 35 -0.339 0.655 8.622 1.00 0.00 C ATOM 537 O LYS A 35 0.840 0.753 8.285 1.00 0.00 O ATOM 538 CB LYS A 35 -0.495 -0.976 10.513 1.00 0.00 C ATOM 539 CG LYS A 35 -0.721 0.191 11.459 1.00 0.00 C ATOM 540 CD LYS A 35 -2.128 0.178 12.032 1.00 0.00 C ATOM 541 CE LYS A 35 -2.208 -0.664 13.296 1.00 0.00 C ATOM 542 NZ LYS A 35 -2.488 -2.094 12.993 1.00 0.00 N ATOM 0 H LYS A 35 0.419 -1.587 7.728 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.001 -0.629 9.019 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.051 -1.840 10.877 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.561 -1.246 10.528 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.004 0.148 12.271 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.551 1.128 10.929 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.441 1.198 12.253 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.821 -0.214 11.288 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.269 -0.586 13.844 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.990 -0.271 13.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.131 -2.482 13.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.931 -2.170 12.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.597 -2.631 13.000 1.00 0.00 H new ATOM 556 N ASN A 36 -1.179 1.684 8.623 1.00 0.00 N ATOM 557 CA ASN A 36 -0.753 3.019 8.218 1.00 0.00 C ATOM 558 C ASN A 36 -0.184 3.002 6.803 1.00 0.00 C ATOM 559 O ASN A 36 0.749 3.740 6.489 1.00 0.00 O ATOM 560 CB ASN A 36 0.293 3.561 9.194 1.00 0.00 C ATOM 561 CG ASN A 36 -0.333 4.177 10.430 1.00 0.00 C ATOM 562 OD1 ASN A 36 -1.269 4.971 10.336 1.00 0.00 O ATOM 563 ND2 ASN A 36 0.182 3.811 11.599 1.00 0.00 N ATOM 0 H ASN A 36 -2.159 1.620 8.900 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.626 3.672 8.232 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.960 2.753 9.493 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.904 4.309 8.689 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.199 4.191 12.466 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.958 3.150 11.630 1.00 0.00 H new ATOM 570 N GLY A 37 -0.755 2.155 5.951 1.00 0.00 N ATOM 571 CA GLY A 37 -0.292 2.058 4.579 1.00 0.00 C ATOM 572 C GLY A 37 1.094 1.454 4.476 1.00 0.00 C ATOM 573 O GLY A 37 1.841 1.754 3.544 1.00 0.00 O ATOM 0 H GLY A 37 -1.530 1.535 6.187 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.993 1.452 4.004 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.286 3.051 4.130 1.00 0.00 H new ATOM 577 N ILE A 38 1.440 0.603 5.436 1.00 0.00 N ATOM 578 CA ILE A 38 2.746 -0.044 5.449 1.00 0.00 C ATOM 579 C ILE A 38 2.611 -1.552 5.633 1.00 0.00 C ATOM 580 O ILE A 38 1.906 -2.019 6.528 1.00 0.00 O ATOM 581 CB ILE A 38 3.642 0.520 6.568 1.00 0.00 C ATOM 582 CG1 ILE A 38 3.898 2.012 6.343 1.00 0.00 C ATOM 583 CG2 ILE A 38 4.956 -0.245 6.630 1.00 0.00 C ATOM 584 CD1 ILE A 38 4.596 2.315 5.036 1.00 0.00 C ATOM 0 H ILE A 38 0.834 0.346 6.215 1.00 0.00 H new ATOM 0 HA ILE A 38 3.210 0.162 4.484 1.00 0.00 H new ATOM 0 HB ILE A 38 3.128 0.399 7.521 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.947 2.544 6.369 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.501 2.397 7.165 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.578 0.165 7.425 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.755 -1.297 6.832 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.477 -0.152 5.677 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.745 3.391 4.944 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.563 1.812 5.015 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.984 1.961 4.206 1.00 0.00 H new ATOM 596 N LEU A 39 3.294 -2.309 4.781 1.00 0.00 N ATOM 597 CA LEU A 39 3.252 -3.765 4.849 1.00 0.00 C ATOM 598 C LEU A 39 4.565 -4.323 5.390 1.00 0.00 C ATOM 599 O LEU A 39 5.592 -4.291 4.712 1.00 0.00 O ATOM 600 CB LEU A 39 2.967 -4.353 3.466 1.00 0.00 C ATOM 601 CG LEU A 39 3.333 -5.825 3.274 1.00 0.00 C ATOM 602 CD1 LEU A 39 2.529 -6.702 4.221 1.00 0.00 C ATOM 603 CD2 LEU A 39 3.104 -6.247 1.830 1.00 0.00 C ATOM 0 H LEU A 39 3.883 -1.938 4.035 1.00 0.00 H new ATOM 0 HA LEU A 39 2.449 -4.049 5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.905 -4.233 3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.508 -3.765 2.725 1.00 0.00 H new ATOM 0 HG LEU A 39 4.391 -5.950 3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.803 -7.746 4.070 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.742 -6.416 5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.465 -6.573 4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.370 -7.297 1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.054 -6.107 1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.724 -5.639 1.171 1.00 0.00 H new ATOM 615 N THR A 40 4.524 -4.835 6.616 1.00 0.00 N ATOM 616 CA THR A 40 5.709 -5.400 7.249 1.00 0.00 C ATOM 617 C THR A 40 5.812 -6.898 6.985 1.00 0.00 C ATOM 618 O THR A 40 4.826 -7.627 7.103 1.00 0.00 O ATOM 619 CB THR A 40 5.705 -5.157 8.770 1.00 0.00 C ATOM 620 OG1 THR A 40 5.397 -3.786 9.046 1.00 0.00 O ATOM 621 CG2 THR A 40 7.053 -5.513 9.378 1.00 0.00 C ATOM 0 H THR A 40 3.682 -4.870 7.191 1.00 0.00 H new ATOM 0 HA THR A 40 6.571 -4.896 6.811 1.00 0.00 H new ATOM 0 HB THR A 40 4.943 -5.796 9.217 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.395 -3.640 10.015 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.026 -5.333 10.453 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.270 -6.565 9.191 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.830 -4.896 8.926 1.00 0.00 H new ATOM 629 N ILE A 41 7.009 -7.351 6.628 1.00 0.00 N ATOM 630 CA ILE A 41 7.239 -8.763 6.349 1.00 0.00 C ATOM 631 C ILE A 41 8.205 -9.372 7.359 1.00 0.00 C ATOM 632 O ILE A 41 9.372 -8.986 7.429 1.00 0.00 O ATOM 633 CB ILE A 41 7.798 -8.973 4.930 1.00 0.00 C ATOM 634 CG1 ILE A 41 6.799 -8.471 3.885 1.00 0.00 C ATOM 635 CG2 ILE A 41 8.122 -10.441 4.700 1.00 0.00 C ATOM 636 CD1 ILE A 41 7.404 -8.285 2.511 1.00 0.00 C ATOM 0 H ILE A 41 7.834 -6.761 6.525 1.00 0.00 H new ATOM 0 HA ILE A 41 6.273 -9.262 6.427 1.00 0.00 H new ATOM 0 HB ILE A 41 8.719 -8.399 4.829 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.972 -9.177 3.816 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.381 -7.522 4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.516 -10.573 3.692 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.866 -10.768 5.426 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.216 -11.036 4.816 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.639 -7.928 1.822 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.213 -7.556 2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.797 -9.237 2.155 1.00 0.00 H new ATOM 648 N SER A 42 7.711 -10.328 8.140 1.00 0.00 N ATOM 649 CA SER A 42 8.530 -10.990 9.149 1.00 0.00 C ATOM 650 C SER A 42 9.807 -11.550 8.529 1.00 0.00 C ATOM 651 O SER A 42 9.759 -12.416 7.655 1.00 0.00 O ATOM 652 CB SER A 42 7.740 -12.115 9.820 1.00 0.00 C ATOM 653 OG SER A 42 7.517 -13.188 8.921 1.00 0.00 O ATOM 0 H SER A 42 6.748 -10.661 8.093 1.00 0.00 H new ATOM 0 HA SER A 42 8.805 -10.250 9.901 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.284 -12.475 10.693 1.00 0.00 H new ATOM 0 HB3 SER A 42 6.784 -11.730 10.176 1.00 0.00 H new ATOM 0 HG SER A 42 8.322 -13.335 8.381 1.00 0.00 H new ATOM 767 N PRO A 50 13.023 -6.530 10.299 1.00 0.00 N ATOM 768 CA PRO A 50 11.988 -6.887 9.324 1.00 0.00 C ATOM 769 C PRO A 50 11.991 -5.961 8.112 1.00 0.00 C ATOM 770 O PRO A 50 12.597 -4.891 8.138 1.00 0.00 O ATOM 771 CB PRO A 50 10.687 -6.730 10.114 1.00 0.00 C ATOM 772 CG PRO A 50 11.009 -5.744 11.183 1.00 0.00 C ATOM 773 CD PRO A 50 12.452 -5.974 11.537 1.00 0.00 C ATOM 0 HA PRO A 50 12.137 -7.888 8.918 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.878 -6.373 9.477 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.364 -7.681 10.537 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.851 -4.724 10.833 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.366 -5.887 12.052 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.947 -5.047 11.827 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.555 -6.666 12.373 1.00 0.00 H new ATOM 781 N ALA A 51 11.308 -6.380 7.051 1.00 0.00 N ATOM 782 CA ALA A 51 11.230 -5.587 5.831 1.00 0.00 C ATOM 783 C ALA A 51 9.881 -4.886 5.717 1.00 0.00 C ATOM 784 O ALA A 51 8.833 -5.532 5.708 1.00 0.00 O ATOM 785 CB ALA A 51 11.474 -6.467 4.613 1.00 0.00 C ATOM 0 H ALA A 51 10.801 -7.264 7.012 1.00 0.00 H new ATOM 0 HA ALA A 51 12.005 -4.822 5.874 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.413 -5.862 3.709 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.464 -6.917 4.682 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.720 -7.253 4.575 1.00 0.00 H new ATOM 791 N LYS A 52 9.913 -3.561 5.632 1.00 0.00 N ATOM 792 CA LYS A 52 8.693 -2.771 5.518 1.00 0.00 C ATOM 793 C LYS A 52 8.533 -2.217 4.106 1.00 0.00 C ATOM 794 O LYS A 52 9.357 -1.428 3.640 1.00 0.00 O ATOM 795 CB LYS A 52 8.709 -1.622 6.529 1.00 0.00 C ATOM 796 CG LYS A 52 8.475 -2.070 7.962 1.00 0.00 C ATOM 797 CD LYS A 52 7.790 -0.988 8.779 1.00 0.00 C ATOM 798 CE LYS A 52 7.806 -1.317 10.264 1.00 0.00 C ATOM 799 NZ LYS A 52 9.165 -1.156 10.853 1.00 0.00 N ATOM 0 H LYS A 52 10.772 -3.011 5.640 1.00 0.00 H new ATOM 0 HA LYS A 52 7.846 -3.423 5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.669 -1.110 6.469 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.943 -0.897 6.254 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.864 -2.973 7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.428 -2.328 8.424 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.289 -0.033 8.611 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.760 -0.873 8.442 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.104 -0.668 10.787 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.465 -2.341 10.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.098 -1.172 11.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.776 -1.935 10.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.571 -0.249 10.546 1.00 0.00 H new ATOM 813 N LEU A 53 7.468 -2.632 3.429 1.00 0.00 N ATOM 814 CA LEU A 53 7.199 -2.176 2.070 1.00 0.00 C ATOM 815 C LEU A 53 6.143 -1.076 2.064 1.00 0.00 C ATOM 816 O LEU A 53 5.049 -1.249 2.599 1.00 0.00 O ATOM 817 CB LEU A 53 6.738 -3.347 1.200 1.00 0.00 C ATOM 818 CG LEU A 53 7.830 -4.315 0.744 1.00 0.00 C ATOM 819 CD1 LEU A 53 7.258 -5.712 0.552 1.00 0.00 C ATOM 820 CD2 LEU A 53 8.477 -3.821 -0.542 1.00 0.00 C ATOM 0 H LEU A 53 6.776 -3.284 3.799 1.00 0.00 H new ATOM 0 HA LEU A 53 8.123 -1.769 1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.988 -3.912 1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.245 -2.944 0.315 1.00 0.00 H new ATOM 0 HG LEU A 53 8.596 -4.361 1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.049 -6.388 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.841 -6.067 1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.473 -5.683 -0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.252 -4.522 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.721 -3.746 -1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.922 -2.840 -0.372 1.00 0.00 H new ATOM 832 N ASN A 54 6.478 0.056 1.453 1.00 0.00 N ATOM 833 CA ASN A 54 5.558 1.184 1.375 1.00 0.00 C ATOM 834 C ASN A 54 4.497 0.949 0.304 1.00 0.00 C ATOM 835 O ASN A 54 4.818 0.712 -0.862 1.00 0.00 O ATOM 836 CB ASN A 54 6.324 2.474 1.075 1.00 0.00 C ATOM 837 CG ASN A 54 5.423 3.695 1.075 1.00 0.00 C ATOM 838 OD1 ASN A 54 5.010 4.174 0.019 1.00 0.00 O ATOM 839 ND2 ASN A 54 5.115 4.203 2.262 1.00 0.00 N ATOM 0 H ASN A 54 7.380 0.216 1.005 1.00 0.00 H new ATOM 0 HA ASN A 54 5.060 1.281 2.340 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.111 2.607 1.817 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.812 2.386 0.104 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.513 5.024 2.325 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.481 3.773 3.111 1.00 0.00 H new ATOM 846 N LEU A 55 3.233 1.016 0.706 1.00 0.00 N ATOM 847 CA LEU A 55 2.124 0.811 -0.219 1.00 0.00 C ATOM 848 C LEU A 55 1.935 2.027 -1.121 1.00 0.00 C ATOM 849 O LEU A 55 1.572 1.895 -2.290 1.00 0.00 O ATOM 850 CB LEU A 55 0.834 0.530 0.554 1.00 0.00 C ATOM 851 CG LEU A 55 0.695 -0.876 1.138 1.00 0.00 C ATOM 852 CD1 LEU A 55 1.988 -1.303 1.815 1.00 0.00 C ATOM 853 CD2 LEU A 55 -0.467 -0.934 2.119 1.00 0.00 C ATOM 0 H LEU A 55 2.950 1.211 1.667 1.00 0.00 H new ATOM 0 HA LEU A 55 2.360 -0.050 -0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.758 1.250 1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.011 0.711 -0.110 1.00 0.00 H new ATOM 0 HG LEU A 55 0.490 -1.569 0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.870 -2.306 2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.798 -1.302 1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.224 -0.608 2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.551 -1.942 2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.292 -0.229 2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.391 -0.672 1.604 1.00 0.00 H new ATOM 865 N LEU A 56 2.186 3.210 -0.571 1.00 0.00 N ATOM 866 CA LEU A 56 2.046 4.450 -1.326 1.00 0.00 C ATOM 867 C LEU A 56 2.909 4.423 -2.583 1.00 0.00 C ATOM 868 O LEU A 56 2.617 5.105 -3.565 1.00 0.00 O ATOM 869 CB LEU A 56 2.431 5.647 -0.454 1.00 0.00 C ATOM 870 CG LEU A 56 2.046 5.554 1.022 1.00 0.00 C ATOM 871 CD1 LEU A 56 2.240 6.896 1.710 1.00 0.00 C ATOM 872 CD2 LEU A 56 0.607 5.081 1.169 1.00 0.00 C ATOM 0 H LEU A 56 2.488 3.337 0.395 1.00 0.00 H new ATOM 0 HA LEU A 56 1.003 4.548 -1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.510 5.786 -0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.969 6.540 -0.874 1.00 0.00 H new ATOM 0 HG LEU A 56 2.698 4.825 1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.961 6.810 2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.286 7.195 1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.613 7.646 1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.350 5.021 2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.060 5.786 0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.499 4.097 0.713 1.00 0.00 H new ATOM 884 N THR A 57 3.974 3.627 -2.546 1.00 0.00 N ATOM 885 CA THR A 57 4.879 3.510 -3.682 1.00 0.00 C ATOM 886 C THR A 57 4.722 2.160 -4.373 1.00 0.00 C ATOM 887 O THR A 57 4.847 2.059 -5.594 1.00 0.00 O ATOM 888 CB THR A 57 6.348 3.685 -3.251 1.00 0.00 C ATOM 889 OG1 THR A 57 6.797 2.516 -2.558 1.00 0.00 O ATOM 890 CG2 THR A 57 6.507 4.905 -2.356 1.00 0.00 C ATOM 0 H THR A 57 4.230 3.054 -1.742 1.00 0.00 H new ATOM 0 HA THR A 57 4.615 4.305 -4.379 1.00 0.00 H new ATOM 0 HB THR A 57 6.952 3.830 -4.146 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.732 2.634 -2.289 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.552 5.008 -2.064 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.191 5.797 -2.897 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.892 4.785 -1.464 1.00 0.00 H new ATOM 898 N CYS A 58 4.448 1.126 -3.585 1.00 0.00 N ATOM 899 CA CYS A 58 4.274 -0.219 -4.122 1.00 0.00 C ATOM 900 C CYS A 58 3.008 -0.307 -4.968 1.00 0.00 C ATOM 901 O CYS A 58 2.078 0.479 -4.793 1.00 0.00 O ATOM 902 CB CYS A 58 4.214 -1.240 -2.985 1.00 0.00 C ATOM 903 SG CYS A 58 5.831 -1.855 -2.459 1.00 0.00 S ATOM 0 H CYS A 58 4.342 1.193 -2.573 1.00 0.00 H new ATOM 0 HA CYS A 58 5.130 -0.444 -4.758 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.714 -0.786 -2.129 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.601 -2.084 -3.301 1.00 0.00 H new ATOM 0 HG CYS A 58 6.289 -1.107 -1.499 1.00 0.00 H new ATOM 909 N GLN A 59 2.982 -1.268 -5.886 1.00 0.00 N ATOM 910 CA GLN A 59 1.830 -1.457 -6.761 1.00 0.00 C ATOM 911 C GLN A 59 1.239 -2.852 -6.590 1.00 0.00 C ATOM 912 O GLN A 59 1.947 -3.854 -6.691 1.00 0.00 O ATOM 913 CB GLN A 59 2.231 -1.235 -8.221 1.00 0.00 C ATOM 914 CG GLN A 59 1.075 -0.808 -9.111 1.00 0.00 C ATOM 915 CD GLN A 59 1.540 -0.142 -10.391 1.00 0.00 C ATOM 916 OE1 GLN A 59 2.487 -0.598 -11.033 1.00 0.00 O ATOM 917 NE2 GLN A 59 0.875 0.943 -10.770 1.00 0.00 N ATOM 0 H GLN A 59 3.744 -1.927 -6.043 1.00 0.00 H new ATOM 0 HA GLN A 59 1.071 -0.725 -6.484 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.011 -0.475 -8.263 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.661 -2.156 -8.615 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.470 -1.681 -9.359 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.432 -0.121 -8.561 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.096 1.286 -10.208 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.143 1.433 -11.623 1.00 0.00 H new ATOM 926 N VAL A 60 -0.063 -2.910 -6.329 1.00 0.00 N ATOM 927 CA VAL A 60 -0.750 -4.182 -6.144 1.00 0.00 C ATOM 928 C VAL A 60 -1.362 -4.671 -7.452 1.00 0.00 C ATOM 929 O VAL A 60 -2.452 -4.248 -7.837 1.00 0.00 O ATOM 930 CB VAL A 60 -1.859 -4.072 -5.080 1.00 0.00 C ATOM 931 CG1 VAL A 60 -2.633 -5.377 -4.979 1.00 0.00 C ATOM 932 CG2 VAL A 60 -1.267 -3.688 -3.733 1.00 0.00 C ATOM 0 H VAL A 60 -0.663 -2.090 -6.241 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.002 -4.899 -5.805 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.553 -3.288 -5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.412 -5.280 -4.223 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.089 -5.605 -5.942 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.954 -6.182 -4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.064 -3.615 -2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.550 -4.448 -3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.762 -2.726 -3.819 1.00 0.00 H new ATOM 942 N LYS A 61 -0.654 -5.567 -8.131 1.00 0.00 N ATOM 943 CA LYS A 61 -1.127 -6.117 -9.396 1.00 0.00 C ATOM 944 C LYS A 61 -1.603 -7.555 -9.220 1.00 0.00 C ATOM 945 O LYS A 61 -0.821 -8.505 -9.275 1.00 0.00 O ATOM 946 CB LYS A 61 -0.016 -6.061 -10.447 1.00 0.00 C ATOM 947 CG LYS A 61 0.101 -4.713 -11.137 1.00 0.00 C ATOM 948 CD LYS A 61 0.670 -4.852 -12.540 1.00 0.00 C ATOM 949 CE LYS A 61 -0.393 -5.304 -13.530 1.00 0.00 C ATOM 950 NZ LYS A 61 0.185 -5.591 -14.872 1.00 0.00 N ATOM 0 H LYS A 61 0.250 -5.928 -7.826 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.969 -5.513 -9.734 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.935 -6.300 -9.971 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.199 -6.830 -11.198 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.881 -4.242 -11.187 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.740 -4.056 -10.548 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.086 -3.897 -12.862 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.490 -5.570 -12.532 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.888 -6.197 -13.149 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.156 -4.531 -13.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.571 -5.896 -15.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.635 -4.732 -15.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.895 -6.346 -14.790 1.00 0.00 H new ATOM 964 N PRO A 62 -2.916 -7.723 -9.004 1.00 0.00 N ATOM 965 CA PRO A 62 -3.526 -9.043 -8.817 1.00 0.00 C ATOM 966 C PRO A 62 -3.533 -9.865 -10.102 1.00 0.00 C ATOM 967 O PRO A 62 -3.744 -9.331 -11.190 1.00 0.00 O ATOM 968 CB PRO A 62 -4.957 -8.714 -8.385 1.00 0.00 C ATOM 969 CG PRO A 62 -5.224 -7.363 -8.951 1.00 0.00 C ATOM 970 CD PRO A 62 -3.907 -6.636 -8.925 1.00 0.00 C ATOM 0 HA PRO A 62 -2.977 -9.648 -8.095 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.665 -9.450 -8.767 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.052 -8.714 -7.299 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.610 -7.435 -9.968 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.974 -6.834 -8.362 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.813 -5.945 -9.762 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.789 -6.050 -8.013 1.00 0.00 H new ATOM 978 N ASN A 63 -3.301 -11.166 -9.967 1.00 0.00 N ATOM 979 CA ASN A 63 -3.281 -12.062 -11.117 1.00 0.00 C ATOM 980 C ASN A 63 -4.581 -11.961 -11.909 1.00 0.00 C ATOM 981 O ASN A 63 -5.453 -11.153 -11.590 1.00 0.00 O ATOM 982 CB ASN A 63 -3.060 -13.506 -10.662 1.00 0.00 C ATOM 983 CG ASN A 63 -4.361 -14.223 -10.360 1.00 0.00 C ATOM 984 OD1 ASN A 63 -5.113 -14.577 -11.268 1.00 0.00 O ATOM 985 ND2 ASN A 63 -4.634 -14.440 -9.078 1.00 0.00 N ATOM 0 H ASN A 63 -3.124 -11.624 -9.073 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.457 -11.762 -11.764 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.520 -14.050 -11.437 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.431 -13.511 -9.772 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.496 -14.917 -8.814 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -3.982 -14.129 -8.358 1.00 0.00 H new ATOM 992 N ALA A 64 -4.704 -12.786 -12.943 1.00 0.00 N ATOM 993 CA ALA A 64 -5.898 -12.791 -13.779 1.00 0.00 C ATOM 994 C ALA A 64 -6.417 -14.210 -13.987 1.00 0.00 C ATOM 995 O ALA A 64 -7.618 -14.460 -13.900 1.00 0.00 O ATOM 996 CB ALA A 64 -5.607 -12.132 -15.119 1.00 0.00 C ATOM 0 H ALA A 64 -3.991 -13.460 -13.222 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.672 -12.220 -13.266 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.508 -12.143 -15.733 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.291 -11.102 -14.957 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.814 -12.679 -15.629 1.00 0.00 H new ATOM 1002 N GLU A 65 -5.503 -15.135 -14.262 1.00 0.00 N ATOM 1003 CA GLU A 65 -5.870 -16.529 -14.484 1.00 0.00 C ATOM 1004 C GLU A 65 -6.137 -17.238 -13.159 1.00 0.00 C ATOM 1005 O GLU A 65 -7.103 -17.991 -13.030 1.00 0.00 O ATOM 1006 CB GLU A 65 -4.762 -17.256 -15.249 1.00 0.00 C ATOM 1007 CG GLU A 65 -4.383 -16.582 -16.557 1.00 0.00 C ATOM 1008 CD GLU A 65 -5.440 -16.753 -17.630 1.00 0.00 C ATOM 1009 OE1 GLU A 65 -6.607 -16.388 -17.376 1.00 0.00 O ATOM 1010 OE2 GLU A 65 -5.101 -17.253 -18.723 1.00 0.00 O ATOM 0 H GLU A 65 -4.504 -14.945 -14.336 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.784 -16.547 -15.078 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.878 -17.323 -14.615 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.084 -18.277 -15.456 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.220 -15.519 -16.379 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.439 -16.994 -16.913 1.00 0.00 H new ATOM 1017 N ASP A 66 -5.276 -16.992 -12.179 1.00 0.00 N ATOM 1018 CA ASP A 66 -5.418 -17.606 -10.864 1.00 0.00 C ATOM 1019 C ASP A 66 -6.522 -16.923 -10.062 1.00 0.00 C ATOM 1020 O ASP A 66 -7.199 -16.023 -10.559 1.00 0.00 O ATOM 1021 CB ASP A 66 -4.096 -17.536 -10.098 1.00 0.00 C ATOM 1022 CG ASP A 66 -3.005 -18.364 -10.749 1.00 0.00 C ATOM 1023 OD1 ASP A 66 -3.331 -19.416 -11.338 1.00 0.00 O ATOM 1024 OD2 ASP A 66 -1.826 -17.961 -10.668 1.00 0.00 O ATOM 0 H ASP A 66 -4.472 -16.371 -12.270 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.690 -18.652 -11.007 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.771 -16.498 -10.034 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.252 -17.884 -9.077 1.00 0.00 H new ATOM 1029 N LYS A 67 -6.698 -17.357 -8.818 1.00 0.00 N ATOM 1030 CA LYS A 67 -7.718 -16.789 -7.946 1.00 0.00 C ATOM 1031 C LYS A 67 -7.104 -16.291 -6.642 1.00 0.00 C ATOM 1032 O LYS A 67 -7.537 -15.283 -6.083 1.00 0.00 O ATOM 1033 CB LYS A 67 -8.801 -17.828 -7.648 1.00 0.00 C ATOM 1034 CG LYS A 67 -9.568 -18.277 -8.880 1.00 0.00 C ATOM 1035 CD LYS A 67 -10.774 -17.390 -9.139 1.00 0.00 C ATOM 1036 CE LYS A 67 -11.365 -17.641 -10.518 1.00 0.00 C ATOM 1037 NZ LYS A 67 -12.614 -16.860 -10.738 1.00 0.00 N ATOM 0 H LYS A 67 -6.146 -18.101 -8.391 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.169 -15.941 -8.462 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.340 -18.698 -7.180 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.503 -17.412 -6.925 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.908 -18.258 -9.747 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.895 -19.309 -8.750 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.532 -17.574 -8.378 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.483 -16.343 -9.052 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.632 -17.376 -11.280 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.576 -18.704 -10.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.985 -17.059 -11.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.322 -17.131 -10.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.408 -15.844 -10.653 1.00 0.00 H new ATOM 1051 N LYS A 68 -6.090 -17.004 -6.161 1.00 0.00 N ATOM 1052 CA LYS A 68 -5.413 -16.634 -4.924 1.00 0.00 C ATOM 1053 C LYS A 68 -3.949 -16.297 -5.185 1.00 0.00 C ATOM 1054 O LYS A 68 -3.049 -16.915 -4.617 1.00 0.00 O ATOM 1055 CB LYS A 68 -5.512 -17.771 -3.905 1.00 0.00 C ATOM 1056 CG LYS A 68 -6.890 -17.911 -3.280 1.00 0.00 C ATOM 1057 CD LYS A 68 -7.154 -19.336 -2.826 1.00 0.00 C ATOM 1058 CE LYS A 68 -7.554 -20.227 -3.993 1.00 0.00 C ATOM 1059 NZ LYS A 68 -7.784 -21.634 -3.562 1.00 0.00 N ATOM 0 H LYS A 68 -5.719 -17.842 -6.610 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.905 -15.749 -4.521 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.247 -18.709 -4.393 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.779 -17.604 -3.115 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.975 -17.235 -2.429 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.650 -17.611 -4.002 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.260 -19.739 -2.349 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.945 -19.340 -2.076 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.460 -19.836 -4.455 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.773 -20.203 -4.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.055 -22.209 -4.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.912 -22.016 -3.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.547 -21.660 -2.855 1.00 0.00 H new ATOM 1073 N SER A 69 -3.717 -15.311 -6.046 1.00 0.00 N ATOM 1074 CA SER A 69 -2.362 -14.894 -6.384 1.00 0.00 C ATOM 1075 C SER A 69 -2.321 -13.408 -6.727 1.00 0.00 C ATOM 1076 O SER A 69 -3.313 -12.835 -7.179 1.00 0.00 O ATOM 1077 CB SER A 69 -1.830 -15.715 -7.560 1.00 0.00 C ATOM 1078 OG SER A 69 -1.881 -17.103 -7.277 1.00 0.00 O ATOM 0 H SER A 69 -4.451 -14.786 -6.522 1.00 0.00 H new ATOM 0 HA SER A 69 -1.728 -15.067 -5.514 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.418 -15.501 -8.453 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.803 -15.422 -7.777 1.00 0.00 H new ATOM 0 HG SER A 69 -1.537 -17.606 -8.044 1.00 0.00 H new ATOM 1084 N PHE A 70 -1.165 -12.788 -6.510 1.00 0.00 N ATOM 1085 CA PHE A 70 -0.993 -11.368 -6.795 1.00 0.00 C ATOM 1086 C PHE A 70 0.481 -10.977 -6.741 1.00 0.00 C ATOM 1087 O PHE A 70 1.241 -11.493 -5.922 1.00 0.00 O ATOM 1088 CB PHE A 70 -1.793 -10.526 -5.798 1.00 0.00 C ATOM 1089 CG PHE A 70 -1.135 -10.403 -4.454 1.00 0.00 C ATOM 1090 CD1 PHE A 70 -0.214 -9.396 -4.209 1.00 0.00 C ATOM 1091 CD2 PHE A 70 -1.437 -11.292 -3.436 1.00 0.00 C ATOM 1092 CE1 PHE A 70 0.394 -9.281 -2.973 1.00 0.00 C ATOM 1093 CE2 PHE A 70 -0.832 -11.181 -2.197 1.00 0.00 C ATOM 1094 CZ PHE A 70 0.083 -10.174 -1.966 1.00 0.00 C ATOM 0 H PHE A 70 -0.334 -13.247 -6.138 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.364 -11.177 -7.802 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.942 -9.529 -6.213 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -2.781 -10.969 -5.671 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.031 -8.694 -4.992 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.153 -12.081 -3.611 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.112 -8.494 -2.795 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.075 -11.881 -1.412 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.555 -10.084 -0.999 1.00 0.00 H new ATOM 1104 N ASP A 71 0.876 -10.063 -7.619 1.00 0.00 N ATOM 1105 CA ASP A 71 2.259 -9.602 -7.673 1.00 0.00 C ATOM 1106 C ASP A 71 2.390 -8.209 -7.064 1.00 0.00 C ATOM 1107 O ASP A 71 1.595 -7.314 -7.355 1.00 0.00 O ATOM 1108 CB ASP A 71 2.759 -9.590 -9.118 1.00 0.00 C ATOM 1109 CG ASP A 71 2.921 -10.986 -9.686 1.00 0.00 C ATOM 1110 OD1 ASP A 71 3.606 -11.811 -9.047 1.00 0.00 O ATOM 1111 OD2 ASP A 71 2.363 -11.253 -10.771 1.00 0.00 O ATOM 0 H ASP A 71 0.259 -9.626 -8.303 1.00 0.00 H new ATOM 0 HA ASP A 71 2.870 -10.293 -7.092 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.059 -9.028 -9.737 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.715 -9.069 -9.164 1.00 0.00 H new ATOM 1116 N LEU A 72 3.398 -8.032 -6.217 1.00 0.00 N ATOM 1117 CA LEU A 72 3.634 -6.749 -5.565 1.00 0.00 C ATOM 1118 C LEU A 72 4.875 -6.069 -6.135 1.00 0.00 C ATOM 1119 O LEU A 72 6.003 -6.441 -5.809 1.00 0.00 O ATOM 1120 CB LEU A 72 3.791 -6.941 -4.056 1.00 0.00 C ATOM 1121 CG LEU A 72 3.681 -5.677 -3.203 1.00 0.00 C ATOM 1122 CD1 LEU A 72 2.275 -5.103 -3.278 1.00 0.00 C ATOM 1123 CD2 LEU A 72 4.061 -5.973 -1.759 1.00 0.00 C ATOM 0 H LEU A 72 4.065 -8.761 -5.966 1.00 0.00 H new ATOM 0 HA LEU A 72 2.772 -6.110 -5.755 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.034 -7.649 -3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.762 -7.399 -3.867 1.00 0.00 H new ATOM 0 HG LEU A 72 4.376 -4.935 -3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.216 -4.204 -2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.039 -4.853 -4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.561 -5.840 -2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.977 -5.062 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.391 -6.732 -1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.088 -6.337 -1.720 1.00 0.00 H new ATOM 1135 N ILE A 73 4.659 -5.071 -6.984 1.00 0.00 N ATOM 1136 CA ILE A 73 5.760 -4.337 -7.596 1.00 0.00 C ATOM 1137 C ILE A 73 6.297 -3.264 -6.654 1.00 0.00 C ATOM 1138 O ILE A 73 5.589 -2.318 -6.308 1.00 0.00 O ATOM 1139 CB ILE A 73 5.330 -3.675 -8.918 1.00 0.00 C ATOM 1140 CG1 ILE A 73 4.982 -4.742 -9.958 1.00 0.00 C ATOM 1141 CG2 ILE A 73 6.431 -2.762 -9.436 1.00 0.00 C ATOM 1142 CD1 ILE A 73 3.941 -4.293 -10.960 1.00 0.00 C ATOM 0 H ILE A 73 3.732 -4.752 -7.264 1.00 0.00 H new ATOM 0 HA ILE A 73 6.547 -5.063 -7.802 1.00 0.00 H new ATOM 0 HB ILE A 73 4.442 -3.071 -8.733 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.889 -5.027 -10.491 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.620 -5.633 -9.445 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.112 -2.302 -10.371 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.635 -1.985 -8.700 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.336 -3.345 -9.609 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.744 -5.100 -11.666 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.020 -4.035 -10.437 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.308 -3.420 -11.500 1.00 0.00 H new ATOM 1154 N SER A 74 7.552 -3.417 -6.245 1.00 0.00 N ATOM 1155 CA SER A 74 8.183 -2.463 -5.341 1.00 0.00 C ATOM 1156 C SER A 74 8.734 -1.267 -6.113 1.00 0.00 C ATOM 1157 O SER A 74 8.581 -1.176 -7.331 1.00 0.00 O ATOM 1158 CB SER A 74 9.308 -3.139 -4.555 1.00 0.00 C ATOM 1159 OG SER A 74 8.791 -4.091 -3.641 1.00 0.00 O ATOM 0 H SER A 74 8.152 -4.193 -6.525 1.00 0.00 H new ATOM 0 HA SER A 74 7.426 -2.106 -4.643 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.995 -3.629 -5.245 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.882 -2.386 -4.015 1.00 0.00 H new ATOM 0 HG SER A 74 8.964 -4.995 -3.978 1.00 0.00 H new ATOM 1165 N HIS A 75 9.376 -0.352 -5.393 1.00 0.00 N ATOM 1166 CA HIS A 75 9.951 0.839 -6.009 1.00 0.00 C ATOM 1167 C HIS A 75 10.877 0.461 -7.161 1.00 0.00 C ATOM 1168 O HIS A 75 10.698 0.919 -8.289 1.00 0.00 O ATOM 1169 CB HIS A 75 10.718 1.657 -4.970 1.00 0.00 C ATOM 1170 CG HIS A 75 11.664 0.840 -4.144 1.00 0.00 C ATOM 1171 ND1 HIS A 75 11.248 0.007 -3.127 1.00 0.00 N ATOM 1172 CD2 HIS A 75 13.012 0.730 -4.191 1.00 0.00 C ATOM 1173 CE1 HIS A 75 12.300 -0.579 -2.583 1.00 0.00 C ATOM 1174 NE2 HIS A 75 13.383 -0.158 -3.211 1.00 0.00 N ATOM 0 H HIS A 75 9.511 -0.412 -4.384 1.00 0.00 H new ATOM 0 HA HIS A 75 9.135 1.443 -6.405 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.278 2.442 -5.479 1.00 0.00 H new ATOM 0 HB3 HIS A 75 10.005 2.150 -4.310 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.673 1.245 -4.872 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.278 -1.283 -1.764 1.00 0.00 H new ATOM 0 HE2 HIS A 75 14.339 -0.445 -3.002 1.00 0.00 H new ATOM 1183 N ASN A 76 11.867 -0.375 -6.868 1.00 0.00 N ATOM 1184 CA ASN A 76 12.822 -0.813 -7.880 1.00 0.00 C ATOM 1185 C ASN A 76 13.031 -2.323 -7.814 1.00 0.00 C ATOM 1186 O ASN A 76 14.161 -2.807 -7.878 1.00 0.00 O ATOM 1187 CB ASN A 76 14.160 -0.093 -7.694 1.00 0.00 C ATOM 1188 CG ASN A 76 14.930 -0.606 -6.493 1.00 0.00 C ATOM 1189 OD1 ASN A 76 14.437 -1.444 -5.737 1.00 0.00 O ATOM 1190 ND2 ASN A 76 16.146 -0.104 -6.311 1.00 0.00 N ATOM 0 H ASN A 76 12.029 -0.763 -5.939 1.00 0.00 H new ATOM 0 HA ASN A 76 12.415 -0.563 -8.860 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.765 -0.220 -8.591 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.981 0.976 -7.578 1.00 0.00 H new ATOM 0 HD21 ASN A 76 16.711 -0.411 -5.520 1.00 0.00 H new ATOM 0 HD22 ASN A 76 16.515 0.589 -6.963 1.00 0.00 H new ATOM 1197 N ARG A 77 11.933 -3.061 -7.686 1.00 0.00 N ATOM 1198 CA ARG A 77 11.996 -4.516 -7.610 1.00 0.00 C ATOM 1199 C ARG A 77 10.602 -5.126 -7.726 1.00 0.00 C ATOM 1200 O ARG A 77 9.595 -4.422 -7.649 1.00 0.00 O ATOM 1201 CB ARG A 77 12.648 -4.952 -6.297 1.00 0.00 C ATOM 1202 CG ARG A 77 13.387 -6.277 -6.395 1.00 0.00 C ATOM 1203 CD ARG A 77 14.171 -6.573 -5.126 1.00 0.00 C ATOM 1204 NE ARG A 77 13.376 -7.315 -4.152 1.00 0.00 N ATOM 1205 CZ ARG A 77 12.908 -8.540 -4.366 1.00 0.00 C ATOM 1206 NH1 ARG A 77 13.154 -9.156 -5.514 1.00 0.00 N ATOM 1207 NH2 ARG A 77 12.192 -9.151 -3.431 1.00 0.00 N ATOM 0 H ARG A 77 10.990 -2.676 -7.633 1.00 0.00 H new ATOM 0 HA ARG A 77 12.601 -4.873 -8.443 1.00 0.00 H new ATOM 0 HB2 ARG A 77 13.346 -4.180 -5.973 1.00 0.00 H new ATOM 0 HB3 ARG A 77 11.880 -5.030 -5.528 1.00 0.00 H new ATOM 0 HG2 ARG A 77 12.673 -7.080 -6.579 1.00 0.00 H new ATOM 0 HG3 ARG A 77 14.067 -6.254 -7.247 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.064 -7.146 -5.377 1.00 0.00 H new ATOM 0 HD3 ARG A 77 14.508 -5.637 -4.681 1.00 0.00 H new ATOM 0 HE ARG A 77 13.169 -6.869 -3.259 1.00 0.00 H new ATOM 0 HH11 ARG A 77 13.704 -8.690 -6.236 1.00 0.00 H new ATOM 0 HH12 ARG A 77 12.794 -10.096 -5.676 1.00 0.00 H new ATOM 0 HH21 ARG A 77 12.000 -8.680 -2.547 1.00 0.00 H new ATOM 0 HH22 ARG A 77 11.833 -10.091 -3.597 1.00 0.00 H new ATOM 1221 N THR A 78 10.551 -6.442 -7.911 1.00 0.00 N ATOM 1222 CA THR A 78 9.283 -7.147 -8.039 1.00 0.00 C ATOM 1223 C THR A 78 9.179 -8.281 -7.025 1.00 0.00 C ATOM 1224 O THR A 78 10.121 -9.054 -6.846 1.00 0.00 O ATOM 1225 CB THR A 78 9.100 -7.723 -9.456 1.00 0.00 C ATOM 1226 OG1 THR A 78 9.444 -6.735 -10.434 1.00 0.00 O ATOM 1227 CG2 THR A 78 7.666 -8.181 -9.673 1.00 0.00 C ATOM 0 H THR A 78 11.374 -7.040 -7.975 1.00 0.00 H new ATOM 0 HA THR A 78 8.496 -6.418 -7.847 1.00 0.00 H new ATOM 0 HB THR A 78 9.759 -8.584 -9.562 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.327 -7.109 -11.332 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.561 -8.584 -10.680 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.417 -8.954 -8.946 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.991 -7.334 -9.549 1.00 0.00 H new ATOM 1235 N TYR A 79 8.031 -8.375 -6.365 1.00 0.00 N ATOM 1236 CA TYR A 79 7.805 -9.415 -5.367 1.00 0.00 C ATOM 1237 C TYR A 79 6.708 -10.374 -5.818 1.00 0.00 C ATOM 1238 O TYR A 79 5.897 -10.045 -6.684 1.00 0.00 O ATOM 1239 CB TYR A 79 7.431 -8.788 -4.023 1.00 0.00 C ATOM 1240 CG TYR A 79 8.584 -8.090 -3.338 1.00 0.00 C ATOM 1241 CD1 TYR A 79 9.316 -7.109 -3.995 1.00 0.00 C ATOM 1242 CD2 TYR A 79 8.941 -8.412 -2.034 1.00 0.00 C ATOM 1243 CE1 TYR A 79 10.371 -6.468 -3.373 1.00 0.00 C ATOM 1244 CE2 TYR A 79 9.993 -7.776 -1.405 1.00 0.00 C ATOM 1245 CZ TYR A 79 10.705 -6.805 -2.078 1.00 0.00 C ATOM 1246 OH TYR A 79 11.755 -6.171 -1.454 1.00 0.00 O ATOM 0 H TYR A 79 7.242 -7.744 -6.502 1.00 0.00 H new ATOM 0 HA TYR A 79 8.730 -9.980 -5.252 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.624 -8.072 -4.178 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.045 -9.566 -3.364 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.056 -6.843 -5.009 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.386 -9.172 -1.504 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.930 -5.708 -3.898 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.257 -8.038 -0.391 1.00 0.00 H new ATOM 0 HH TYR A 79 11.857 -6.524 -0.546 1.00 0.00 H new ATOM 1256 N HIS A 80 6.688 -11.562 -5.222 1.00 0.00 N ATOM 1257 CA HIS A 80 5.689 -12.570 -5.560 1.00 0.00 C ATOM 1258 C HIS A 80 4.997 -13.092 -4.304 1.00 0.00 C ATOM 1259 O HIS A 80 5.647 -13.603 -3.392 1.00 0.00 O ATOM 1260 CB HIS A 80 6.339 -13.728 -6.317 1.00 0.00 C ATOM 1261 CG HIS A 80 7.291 -13.287 -7.386 1.00 0.00 C ATOM 1262 ND1 HIS A 80 6.980 -12.318 -8.317 1.00 0.00 N ATOM 1263 CD2 HIS A 80 8.554 -13.685 -7.667 1.00 0.00 C ATOM 1264 CE1 HIS A 80 8.009 -12.142 -9.126 1.00 0.00 C ATOM 1265 NE2 HIS A 80 8.978 -12.959 -8.753 1.00 0.00 N ATOM 0 H HIS A 80 7.352 -11.850 -4.503 1.00 0.00 H new ATOM 0 HA HIS A 80 4.939 -12.103 -6.199 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.871 -14.362 -5.607 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.558 -14.340 -6.768 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.122 -14.434 -7.136 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.051 -11.448 -9.952 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.892 -13.038 -9.199 1.00 0.00 H new ATOM 1274 N PHE A 81 3.676 -12.958 -4.264 1.00 0.00 N ATOM 1275 CA PHE A 81 2.896 -13.414 -3.119 1.00 0.00 C ATOM 1276 C PHE A 81 1.734 -14.295 -3.569 1.00 0.00 C ATOM 1277 O PHE A 81 1.298 -14.225 -4.718 1.00 0.00 O ATOM 1278 CB PHE A 81 2.367 -12.218 -2.326 1.00 0.00 C ATOM 1279 CG PHE A 81 3.450 -11.391 -1.695 1.00 0.00 C ATOM 1280 CD1 PHE A 81 4.139 -11.858 -0.587 1.00 0.00 C ATOM 1281 CD2 PHE A 81 3.779 -10.147 -2.208 1.00 0.00 C ATOM 1282 CE1 PHE A 81 5.135 -11.098 -0.003 1.00 0.00 C ATOM 1283 CE2 PHE A 81 4.775 -9.383 -1.629 1.00 0.00 C ATOM 1284 CZ PHE A 81 5.455 -9.860 -0.526 1.00 0.00 C ATOM 0 H PHE A 81 3.123 -12.538 -5.011 1.00 0.00 H new ATOM 0 HA PHE A 81 3.550 -14.005 -2.478 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.777 -11.585 -2.989 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.695 -12.577 -1.547 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.895 -12.826 -0.175 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.251 -9.769 -3.071 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.663 -11.472 0.862 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.021 -8.414 -2.039 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.235 -9.267 -0.073 1.00 0.00 H new ATOM 1294 N GLN A 82 1.239 -15.123 -2.656 1.00 0.00 N ATOM 1295 CA GLN A 82 0.129 -16.019 -2.958 1.00 0.00 C ATOM 1296 C GLN A 82 -0.747 -16.236 -1.729 1.00 0.00 C ATOM 1297 O GLN A 82 -0.250 -16.561 -0.651 1.00 0.00 O ATOM 1298 CB GLN A 82 0.653 -17.362 -3.469 1.00 0.00 C ATOM 1299 CG GLN A 82 -0.446 -18.353 -3.816 1.00 0.00 C ATOM 1300 CD GLN A 82 0.097 -19.664 -4.348 1.00 0.00 C ATOM 1301 OE1 GLN A 82 0.424 -19.691 -5.634 1.00 0.00 O flip ATOM 1302 NE2 GLN A 82 0.221 -20.643 -3.611 1.00 0.00 N flip ATOM 0 H GLN A 82 1.589 -15.192 -1.700 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.477 -15.554 -3.736 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.268 -17.190 -4.353 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.301 -17.802 -2.711 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.048 -18.547 -2.929 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.108 -17.910 -4.560 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -0.043 -20.578 -2.628 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.588 -21.519 -3.984 1.00 0.00 H new ATOM 1311 N ALA A 83 -2.052 -16.053 -1.898 1.00 0.00 N ATOM 1312 CA ALA A 83 -2.997 -16.231 -0.802 1.00 0.00 C ATOM 1313 C ALA A 83 -3.291 -17.708 -0.565 1.00 0.00 C ATOM 1314 O ALA A 83 -3.215 -18.521 -1.486 1.00 0.00 O ATOM 1315 CB ALA A 83 -4.285 -15.473 -1.088 1.00 0.00 C ATOM 0 H ALA A 83 -2.479 -15.782 -2.783 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.545 -15.828 0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.982 -15.615 -0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.065 -14.411 -1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.732 -15.849 -2.008 1.00 0.00 H new ATOM 1321 N GLU A 84 -3.626 -18.048 0.675 1.00 0.00 N ATOM 1322 CA GLU A 84 -3.930 -19.429 1.033 1.00 0.00 C ATOM 1323 C GLU A 84 -5.392 -19.757 0.742 1.00 0.00 C ATOM 1324 O GLU A 84 -5.700 -20.777 0.125 1.00 0.00 O ATOM 1325 CB GLU A 84 -3.625 -19.676 2.512 1.00 0.00 C ATOM 1326 CG GLU A 84 -2.179 -20.058 2.779 1.00 0.00 C ATOM 1327 CD GLU A 84 -1.890 -20.249 4.255 1.00 0.00 C ATOM 1328 OE1 GLU A 84 -1.763 -19.235 4.972 1.00 0.00 O ATOM 1329 OE2 GLU A 84 -1.791 -21.415 4.694 1.00 0.00 O ATOM 0 H GLU A 84 -3.694 -17.387 1.449 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.301 -20.081 0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.865 -18.777 3.079 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.276 -20.469 2.881 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.946 -20.979 2.245 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.523 -19.284 2.381 1.00 0.00 H new ATOM 1336 N ASP A 85 -6.288 -18.886 1.192 1.00 0.00 N ATOM 1337 CA ASP A 85 -7.718 -19.082 0.980 1.00 0.00 C ATOM 1338 C ASP A 85 -8.295 -17.973 0.106 1.00 0.00 C ATOM 1339 O ASP A 85 -7.751 -16.870 0.048 1.00 0.00 O ATOM 1340 CB ASP A 85 -8.452 -19.125 2.321 1.00 0.00 C ATOM 1341 CG ASP A 85 -8.510 -20.523 2.905 1.00 0.00 C ATOM 1342 OD1 ASP A 85 -8.702 -21.483 2.129 1.00 0.00 O ATOM 1343 OD2 ASP A 85 -8.362 -20.657 4.138 1.00 0.00 O ATOM 0 H ASP A 85 -6.050 -18.038 1.706 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.857 -20.034 0.467 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.953 -18.460 3.026 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.466 -18.747 2.189 1.00 0.00 H new ATOM 1348 N GLU A 86 -9.397 -18.274 -0.573 1.00 0.00 N ATOM 1349 CA GLU A 86 -10.046 -17.302 -1.446 1.00 0.00 C ATOM 1350 C GLU A 86 -10.377 -16.023 -0.684 1.00 0.00 C ATOM 1351 O GLU A 86 -10.204 -14.919 -1.200 1.00 0.00 O ATOM 1352 CB GLU A 86 -11.321 -17.896 -2.047 1.00 0.00 C ATOM 1353 CG GLU A 86 -11.722 -17.264 -3.370 1.00 0.00 C ATOM 1354 CD GLU A 86 -13.157 -17.570 -3.752 1.00 0.00 C ATOM 1355 OE1 GLU A 86 -13.461 -18.750 -4.023 1.00 0.00 O ATOM 1356 OE2 GLU A 86 -13.976 -16.627 -3.779 1.00 0.00 O ATOM 0 H GLU A 86 -9.859 -19.182 -0.536 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.354 -17.055 -2.251 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.179 -18.967 -2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.138 -17.777 -1.335 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.589 -16.184 -3.307 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.057 -17.622 -4.156 1.00 0.00 H new ATOM 1363 N GLN A 87 -10.855 -16.180 0.547 1.00 0.00 N ATOM 1364 CA GLN A 87 -11.212 -15.038 1.379 1.00 0.00 C ATOM 1365 C GLN A 87 -9.982 -14.197 1.707 1.00 0.00 C ATOM 1366 O GLN A 87 -10.033 -12.967 1.677 1.00 0.00 O ATOM 1367 CB GLN A 87 -11.880 -15.510 2.672 1.00 0.00 C ATOM 1368 CG GLN A 87 -13.255 -16.121 2.457 1.00 0.00 C ATOM 1369 CD GLN A 87 -14.352 -15.077 2.380 1.00 0.00 C ATOM 1370 OE1 GLN A 87 -15.071 -14.842 3.352 1.00 0.00 O ATOM 1371 NE2 GLN A 87 -14.486 -14.443 1.221 1.00 0.00 N ATOM 0 H GLN A 87 -11.004 -17.087 0.989 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.914 -14.420 0.820 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -11.237 -16.244 3.157 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -11.970 -14.665 3.355 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.249 -16.705 1.537 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.473 -16.812 3.271 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -13.868 -14.669 0.441 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -15.207 -13.730 1.110 1.00 0.00 H new ATOM 1380 N ASP A 88 -8.879 -14.868 2.019 1.00 0.00 N ATOM 1381 CA ASP A 88 -7.635 -14.183 2.351 1.00 0.00 C ATOM 1382 C ASP A 88 -7.205 -13.257 1.218 1.00 0.00 C ATOM 1383 O ASP A 88 -6.819 -12.112 1.451 1.00 0.00 O ATOM 1384 CB ASP A 88 -6.530 -15.200 2.643 1.00 0.00 C ATOM 1385 CG ASP A 88 -5.499 -14.670 3.619 1.00 0.00 C ATOM 1386 OD1 ASP A 88 -5.897 -14.212 4.711 1.00 0.00 O ATOM 1387 OD2 ASP A 88 -4.294 -14.712 3.292 1.00 0.00 O ATOM 0 H ASP A 88 -8.821 -15.886 2.049 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.808 -13.580 3.242 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -6.975 -16.109 3.047 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.036 -15.474 1.710 1.00 0.00 H new ATOM 1392 N TYR A 89 -7.275 -13.761 -0.009 1.00 0.00 N ATOM 1393 CA TYR A 89 -6.890 -12.980 -1.179 1.00 0.00 C ATOM 1394 C TYR A 89 -7.818 -11.783 -1.365 1.00 0.00 C ATOM 1395 O TYR A 89 -7.412 -10.635 -1.187 1.00 0.00 O ATOM 1396 CB TYR A 89 -6.911 -13.856 -2.433 1.00 0.00 C ATOM 1397 CG TYR A 89 -6.937 -13.067 -3.722 1.00 0.00 C ATOM 1398 CD1 TYR A 89 -5.761 -12.606 -4.301 1.00 0.00 C ATOM 1399 CD2 TYR A 89 -8.137 -12.781 -4.361 1.00 0.00 C ATOM 1400 CE1 TYR A 89 -5.779 -11.884 -5.479 1.00 0.00 C ATOM 1401 CE2 TYR A 89 -8.165 -12.062 -5.540 1.00 0.00 C ATOM 1402 CZ TYR A 89 -6.983 -11.615 -6.095 1.00 0.00 C ATOM 1403 OH TYR A 89 -7.007 -10.897 -7.268 1.00 0.00 O ATOM 0 H TYR A 89 -7.595 -14.706 -0.219 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.877 -12.610 -1.020 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.033 -14.502 -2.430 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.785 -14.506 -2.397 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.816 -12.816 -3.822 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.064 -13.127 -3.928 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.855 -11.532 -5.915 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -9.107 -11.851 -6.025 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.934 -10.796 -7.571 1.00 0.00 H new ATOM 1413 N VAL A 90 -9.067 -12.062 -1.724 1.00 0.00 N ATOM 1414 CA VAL A 90 -10.055 -11.010 -1.933 1.00 0.00 C ATOM 1415 C VAL A 90 -9.885 -9.887 -0.917 1.00 0.00 C ATOM 1416 O VAL A 90 -9.923 -8.708 -1.268 1.00 0.00 O ATOM 1417 CB VAL A 90 -11.490 -11.561 -1.838 1.00 0.00 C ATOM 1418 CG1 VAL A 90 -12.504 -10.438 -1.991 1.00 0.00 C ATOM 1419 CG2 VAL A 90 -11.716 -12.642 -2.884 1.00 0.00 C ATOM 0 H VAL A 90 -9.419 -13.007 -1.876 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.891 -10.616 -2.936 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.625 -12.008 -0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.512 -10.846 -1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.355 -9.703 -1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.373 -9.959 -2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.735 -13.020 -2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.563 -12.223 -3.879 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.012 -13.458 -2.722 1.00 0.00 H new ATOM 1429 N ALA A 91 -9.696 -10.261 0.344 1.00 0.00 N ATOM 1430 CA ALA A 91 -9.518 -9.285 1.412 1.00 0.00 C ATOM 1431 C ALA A 91 -8.202 -8.531 1.252 1.00 0.00 C ATOM 1432 O ALA A 91 -8.186 -7.304 1.158 1.00 0.00 O ATOM 1433 CB ALA A 91 -9.574 -9.970 2.769 1.00 0.00 C ATOM 0 H ALA A 91 -9.662 -11.233 0.651 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.331 -8.562 1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.440 -9.229 3.557 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.541 -10.458 2.891 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.781 -10.715 2.833 1.00 0.00 H new ATOM 1439 N TRP A 92 -7.101 -9.273 1.223 1.00 0.00 N ATOM 1440 CA TRP A 92 -5.779 -8.673 1.075 1.00 0.00 C ATOM 1441 C TRP A 92 -5.792 -7.581 0.011 1.00 0.00 C ATOM 1442 O TRP A 92 -5.549 -6.411 0.307 1.00 0.00 O ATOM 1443 CB TRP A 92 -4.749 -9.744 0.712 1.00 0.00 C ATOM 1444 CG TRP A 92 -4.102 -10.376 1.907 1.00 0.00 C ATOM 1445 CD1 TRP A 92 -4.066 -11.706 2.212 1.00 0.00 C ATOM 1446 CD2 TRP A 92 -3.400 -9.703 2.958 1.00 0.00 C ATOM 1447 NE1 TRP A 92 -3.384 -11.901 3.389 1.00 0.00 N ATOM 1448 CE2 TRP A 92 -2.965 -10.688 3.866 1.00 0.00 C ATOM 1449 CE3 TRP A 92 -3.095 -8.364 3.219 1.00 0.00 C ATOM 1450 CZ2 TRP A 92 -2.243 -10.374 5.014 1.00 0.00 C ATOM 1451 CZ3 TRP A 92 -2.379 -8.054 4.359 1.00 0.00 C ATOM 1452 CH2 TRP A 92 -1.958 -9.055 5.245 1.00 0.00 C ATOM 0 H TRP A 92 -7.097 -10.290 1.300 1.00 0.00 H new ATOM 0 HA TRP A 92 -5.503 -8.221 2.028 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -5.235 -10.519 0.119 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -3.978 -9.298 0.084 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -4.509 -12.490 1.616 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -3.217 -12.803 3.835 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -3.413 -7.586 2.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -1.919 -11.144 5.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.140 -7.022 4.571 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -1.398 -8.781 6.127 1.00 0.00 H new ATOM 1463 N ILE A 93 -6.078 -7.971 -1.227 1.00 0.00 N ATOM 1464 CA ILE A 93 -6.124 -7.023 -2.333 1.00 0.00 C ATOM 1465 C ILE A 93 -6.954 -5.796 -1.972 1.00 0.00 C ATOM 1466 O ILE A 93 -6.581 -4.666 -2.291 1.00 0.00 O ATOM 1467 CB ILE A 93 -6.710 -7.669 -3.603 1.00 0.00 C ATOM 1468 CG1 ILE A 93 -5.804 -8.802 -4.090 1.00 0.00 C ATOM 1469 CG2 ILE A 93 -6.891 -6.623 -4.693 1.00 0.00 C ATOM 1470 CD1 ILE A 93 -4.426 -8.337 -4.505 1.00 0.00 C ATOM 0 H ILE A 93 -6.281 -8.936 -1.489 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.096 -6.718 -2.530 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.687 -8.088 -3.362 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.705 -9.544 -3.297 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.280 -9.300 -4.935 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -7.306 -7.094 -5.584 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.571 -5.847 -4.343 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.926 -6.178 -4.934 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -3.839 -9.192 -4.839 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.515 -7.618 -5.319 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.930 -7.865 -3.657 1.00 0.00 H new ATOM 1482 N SER A 94 -8.079 -6.024 -1.303 1.00 0.00 N ATOM 1483 CA SER A 94 -8.963 -4.937 -0.899 1.00 0.00 C ATOM 1484 C SER A 94 -8.252 -3.986 0.059 1.00 0.00 C ATOM 1485 O SER A 94 -8.365 -2.766 -0.062 1.00 0.00 O ATOM 1486 CB SER A 94 -10.224 -5.496 -0.238 1.00 0.00 C ATOM 1487 OG SER A 94 -11.272 -4.542 -0.248 1.00 0.00 O ATOM 0 H SER A 94 -8.400 -6.952 -1.029 1.00 0.00 H new ATOM 0 HA SER A 94 -9.246 -4.381 -1.793 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.544 -6.397 -0.761 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.002 -5.786 0.789 1.00 0.00 H new ATOM 0 HG SER A 94 -12.108 -4.971 0.031 1.00 0.00 H new ATOM 1493 N VAL A 95 -7.518 -4.554 1.011 1.00 0.00 N ATOM 1494 CA VAL A 95 -6.787 -3.758 1.989 1.00 0.00 C ATOM 1495 C VAL A 95 -5.598 -3.053 1.346 1.00 0.00 C ATOM 1496 O VAL A 95 -5.592 -1.830 1.199 1.00 0.00 O ATOM 1497 CB VAL A 95 -6.284 -4.628 3.157 1.00 0.00 C ATOM 1498 CG1 VAL A 95 -6.256 -3.824 4.448 1.00 0.00 C ATOM 1499 CG2 VAL A 95 -7.153 -5.867 3.310 1.00 0.00 C ATOM 0 H VAL A 95 -7.414 -5.562 1.125 1.00 0.00 H new ATOM 0 HA VAL A 95 -7.483 -3.012 2.374 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.267 -4.950 2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.898 -4.455 5.262 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.589 -2.970 4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.261 -3.470 4.678 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.784 -6.470 4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.182 -5.567 3.509 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.117 -6.452 2.391 1.00 0.00 H new ATOM 1509 N LEU A 96 -4.592 -3.832 0.964 1.00 0.00 N ATOM 1510 CA LEU A 96 -3.396 -3.283 0.335 1.00 0.00 C ATOM 1511 C LEU A 96 -3.739 -2.068 -0.521 1.00 0.00 C ATOM 1512 O LEU A 96 -3.181 -0.986 -0.336 1.00 0.00 O ATOM 1513 CB LEU A 96 -2.711 -4.348 -0.523 1.00 0.00 C ATOM 1514 CG LEU A 96 -2.261 -5.613 0.210 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -2.108 -6.769 -0.766 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -0.957 -5.363 0.953 1.00 0.00 C ATOM 0 H LEU A 96 -4.581 -4.845 1.079 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.714 -2.968 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.395 -4.638 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.839 -3.898 -0.998 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.026 -5.879 0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.787 -7.660 -0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.064 -6.963 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.363 -6.513 -1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.652 -6.273 1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.183 -5.072 0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.100 -4.564 1.681 1.00 0.00 H new ATOM 1528 N THR A 97 -4.664 -2.253 -1.458 1.00 0.00 N ATOM 1529 CA THR A 97 -5.083 -1.173 -2.341 1.00 0.00 C ATOM 1530 C THR A 97 -5.792 -0.070 -1.564 1.00 0.00 C ATOM 1531 O THR A 97 -5.540 1.115 -1.779 1.00 0.00 O ATOM 1532 CB THR A 97 -6.021 -1.686 -3.451 1.00 0.00 C ATOM 1533 OG1 THR A 97 -5.494 -2.891 -4.018 1.00 0.00 O ATOM 1534 CG2 THR A 97 -6.192 -0.639 -4.541 1.00 0.00 C ATOM 0 H THR A 97 -5.137 -3.141 -1.624 1.00 0.00 H new ATOM 0 HA THR A 97 -4.179 -0.770 -2.796 1.00 0.00 H new ATOM 0 HB THR A 97 -6.996 -1.889 -3.008 1.00 0.00 H new ATOM 0 HG1 THR A 97 -5.787 -3.659 -3.484 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.858 -1.023 -5.313 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.619 0.267 -4.111 1.00 0.00 H new ATOM 0 HG23 THR A 97 -5.221 -0.409 -4.980 1.00 0.00 H new ATOM 1542 N ASN A 98 -6.679 -0.467 -0.658 1.00 0.00 N ATOM 1543 CA ASN A 98 -7.425 0.489 0.153 1.00 0.00 C ATOM 1544 C ASN A 98 -6.478 1.419 0.906 1.00 0.00 C ATOM 1545 O ASN A 98 -6.400 2.612 0.613 1.00 0.00 O ATOM 1546 CB ASN A 98 -8.330 -0.246 1.143 1.00 0.00 C ATOM 1547 CG ASN A 98 -9.662 -0.635 0.531 1.00 0.00 C ATOM 1548 OD1 ASN A 98 -10.056 -0.109 -0.510 1.00 0.00 O ATOM 1549 ND2 ASN A 98 -10.362 -1.560 1.177 1.00 0.00 N ATOM 0 H ASN A 98 -6.899 -1.444 -0.467 1.00 0.00 H new ATOM 0 HA ASN A 98 -8.042 1.090 -0.515 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -7.822 -1.142 1.499 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.504 0.389 2.012 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.266 -1.862 0.813 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -9.996 -1.969 2.037 1.00 0.00 H new ATOM 1556 N SER A 99 -5.760 0.863 1.877 1.00 0.00 N ATOM 1557 CA SER A 99 -4.820 1.642 2.674 1.00 0.00 C ATOM 1558 C SER A 99 -4.125 2.697 1.818 1.00 0.00 C ATOM 1559 O SER A 99 -3.955 3.842 2.239 1.00 0.00 O ATOM 1560 CB SER A 99 -3.779 0.724 3.316 1.00 0.00 C ATOM 1561 OG SER A 99 -3.192 1.333 4.453 1.00 0.00 O ATOM 0 H SER A 99 -5.811 -0.124 2.130 1.00 0.00 H new ATOM 0 HA SER A 99 -5.381 2.148 3.459 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.248 -0.216 3.605 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.004 0.483 2.588 1.00 0.00 H new ATOM 0 HG SER A 99 -3.076 0.664 5.160 1.00 0.00 H new ATOM 1567 N LYS A 100 -3.726 2.303 0.614 1.00 0.00 N ATOM 1568 CA LYS A 100 -3.051 3.213 -0.304 1.00 0.00 C ATOM 1569 C LYS A 100 -3.945 4.398 -0.652 1.00 0.00 C ATOM 1570 O LYS A 100 -3.648 5.537 -0.293 1.00 0.00 O ATOM 1571 CB LYS A 100 -2.646 2.474 -1.581 1.00 0.00 C ATOM 1572 CG LYS A 100 -2.161 3.393 -2.689 1.00 0.00 C ATOM 1573 CD LYS A 100 -2.138 2.684 -4.032 1.00 0.00 C ATOM 1574 CE LYS A 100 -0.808 1.986 -4.271 1.00 0.00 C ATOM 1575 NZ LYS A 100 -0.604 1.659 -5.710 1.00 0.00 N ATOM 0 H LYS A 100 -3.858 1.359 0.251 1.00 0.00 H new ATOM 0 HA LYS A 100 -2.156 3.589 0.191 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.858 1.759 -1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.498 1.900 -1.944 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.810 4.266 -2.749 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.161 3.755 -2.451 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.946 1.954 -4.073 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.320 3.405 -4.829 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.005 2.625 -3.925 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.767 1.070 -3.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.321 1.200 -5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.356 1.016 -6.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.634 2.533 -6.272 1.00 0.00 H new ATOM 1589 N GLU A 101 -5.042 4.122 -1.350 1.00 0.00 N ATOM 1590 CA GLU A 101 -5.979 5.167 -1.745 1.00 0.00 C ATOM 1591 C GLU A 101 -6.300 6.083 -0.567 1.00 0.00 C ATOM 1592 O GLU A 101 -6.107 7.296 -0.642 1.00 0.00 O ATOM 1593 CB GLU A 101 -7.268 4.547 -2.289 1.00 0.00 C ATOM 1594 CG GLU A 101 -7.046 3.619 -3.471 1.00 0.00 C ATOM 1595 CD GLU A 101 -6.806 4.371 -4.766 1.00 0.00 C ATOM 1596 OE1 GLU A 101 -7.667 5.193 -5.143 1.00 0.00 O ATOM 1597 OE2 GLU A 101 -5.758 4.136 -5.403 1.00 0.00 O ATOM 0 H GLU A 101 -5.304 3.184 -1.653 1.00 0.00 H new ATOM 0 HA GLU A 101 -5.511 5.762 -2.529 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.760 3.992 -1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -7.947 5.345 -2.587 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -6.192 2.974 -3.266 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -7.914 2.971 -3.587 1.00 0.00 H new ATOM 1604 N GLU A 102 -6.791 5.492 0.518 1.00 0.00 N ATOM 1605 CA GLU A 102 -7.140 6.256 1.710 1.00 0.00 C ATOM 1606 C GLU A 102 -5.941 7.053 2.216 1.00 0.00 C ATOM 1607 O GLU A 102 -6.094 8.003 2.982 1.00 0.00 O ATOM 1608 CB GLU A 102 -7.646 5.321 2.811 1.00 0.00 C ATOM 1609 CG GLU A 102 -8.955 4.630 2.468 1.00 0.00 C ATOM 1610 CD GLU A 102 -9.545 3.879 3.647 1.00 0.00 C ATOM 1611 OE1 GLU A 102 -9.521 4.424 4.770 1.00 0.00 O ATOM 1612 OE2 GLU A 102 -10.029 2.746 3.445 1.00 0.00 O ATOM 0 H GLU A 102 -6.956 4.488 0.596 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.933 6.955 1.443 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.887 4.565 3.011 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.776 5.893 3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.673 5.372 2.119 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.790 3.935 1.645 1.00 0.00 H new ATOM 1619 N ALA A 103 -4.749 6.658 1.781 1.00 0.00 N ATOM 1620 CA ALA A 103 -3.525 7.335 2.188 1.00 0.00 C ATOM 1621 C ALA A 103 -3.112 8.385 1.162 1.00 0.00 C ATOM 1622 O ALA A 103 -2.415 9.347 1.489 1.00 0.00 O ATOM 1623 CB ALA A 103 -2.405 6.325 2.392 1.00 0.00 C ATOM 0 H ALA A 103 -4.606 5.872 1.147 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.717 7.843 3.133 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.497 6.845 2.696 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.693 5.614 3.167 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.222 5.791 1.460 1.00 0.00 H new ATOM 1629 N LEU A 104 -3.544 8.195 -0.079 1.00 0.00 N ATOM 1630 CA LEU A 104 -3.218 9.126 -1.154 1.00 0.00 C ATOM 1631 C LEU A 104 -4.200 10.293 -1.180 1.00 0.00 C ATOM 1632 O LEU A 104 -3.799 11.457 -1.166 1.00 0.00 O ATOM 1633 CB LEU A 104 -3.232 8.404 -2.503 1.00 0.00 C ATOM 1634 CG LEU A 104 -2.063 7.455 -2.768 1.00 0.00 C ATOM 1635 CD1 LEU A 104 -2.342 6.592 -3.988 1.00 0.00 C ATOM 1636 CD2 LEU A 104 -0.771 8.239 -2.951 1.00 0.00 C ATOM 0 H LEU A 104 -4.121 7.405 -0.366 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.218 9.519 -0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.159 7.836 -2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.252 9.154 -3.294 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.948 6.800 -1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.499 5.923 -4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.244 6.003 -3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.484 7.230 -4.860 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.051 7.548 -3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.874 8.918 -3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.563 8.813 -2.048 1.00 0.00 H new ATOM 1648 N THR A 105 -5.490 9.974 -1.214 1.00 0.00 N ATOM 1649 CA THR A 105 -6.530 10.996 -1.240 1.00 0.00 C ATOM 1650 C THR A 105 -6.315 12.026 -0.137 1.00 0.00 C ATOM 1651 O THR A 105 -6.482 13.226 -0.355 1.00 0.00 O ATOM 1652 CB THR A 105 -7.931 10.375 -1.083 1.00 0.00 C ATOM 1653 OG1 THR A 105 -8.920 11.255 -1.628 1.00 0.00 O ATOM 1654 CG2 THR A 105 -8.240 10.101 0.381 1.00 0.00 C ATOM 0 H THR A 105 -5.840 9.016 -1.224 1.00 0.00 H new ATOM 0 HA THR A 105 -6.466 11.489 -2.210 1.00 0.00 H new ATOM 0 HB THR A 105 -7.948 9.429 -1.625 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.808 10.853 -1.526 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.234 9.663 0.467 1.00 0.00 H new ATOM 0 HG22 THR A 105 -7.502 9.408 0.785 1.00 0.00 H new ATOM 0 HG23 THR A 105 -8.206 11.035 0.941 1.00 0.00 H new