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 168:sc=0.000468 USER MOD Set 1.2: A 98 ASN : amide:sc= -2.93! C(o=-2.9!,f=-4.8!) USER MOD Set 2.1: A 69 SER OG : rot 9:sc= 0.24! USER MOD Set 2.2: A 82 GLN : amide:sc= 0 X(o=0.24,f=0.16) USER MOD Single : A 8 TYR OH : rot 30:sc= -0.166 USER MOD Single : A 10 SER OG : rot 180:sc= -0.0032 USER MOD Single : A 12 LYS NZ :NH3+ 171:sc=-0.00967 (180deg=-0.125) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.0342 USER MOD Single : A 18 LYS NZ :NH3+ -164:sc=-0.00163 (180deg=-0.17) USER MOD Single : A 19 LYS NZ :NH3+ 175:sc= 1.67 (180deg=1.45) USER MOD Single : A 28 GLN : amide:sc=-0.00459 K(o=-0.0046,f=-0.54) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -160:sc= -1.38 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0204 USER MOD Single : A 35 LYS NZ :NH3+ 163:sc= -1.12 (180deg=-1.88) USER MOD Single : A 36 ASN : amide:sc= -4.81! C(o=-4.8!,f=-4.9!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.527) USER MOD Single : A 54 ASN : amide:sc= -2.99! C(o=-3!,f=-5.8!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 93:sc= -1.24 USER MOD Single : A 59 GLN : amide:sc= -0.0118 X(o=-0.012,f=-0.25) USER MOD Single : A 61 LYS NZ :NH3+ 162:sc= -0.0208 (180deg=-0.176) USER MOD Single : A 63 ASN : amide:sc= -0.175 X(o=-0.17,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 161:sc= -0.0441 (180deg=-0.286) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -125:sc= 0.729 USER MOD Single : A 75 HIS : no HD1:sc= -0.174 K(o=-0.17,f=-1) USER MOD Single : A 76 ASN : amide:sc= -0.835 X(o=-0.83,f=-0.66) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 TYR OH : rot 180:sc= -0.0486 USER MOD Single : A 97 THR OG1 : rot 100:sc= 1.2 USER MOD Single : A 99 SER OG : rot 110:sc= -1.35 USER MOD Single : A 100 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.4) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -13.744 -3.385 2.619 1.00 0.00 N ATOM 67 CA TYR A 8 -13.155 -4.475 3.386 1.00 0.00 C ATOM 68 C TYR A 8 -12.374 -3.940 4.582 1.00 0.00 C ATOM 69 O TYR A 8 -12.623 -4.326 5.724 1.00 0.00 O ATOM 70 CB TYR A 8 -12.236 -5.314 2.497 1.00 0.00 C ATOM 71 CG TYR A 8 -12.960 -6.389 1.720 1.00 0.00 C ATOM 72 CD1 TYR A 8 -13.983 -6.067 0.836 1.00 0.00 C ATOM 73 CD2 TYR A 8 -12.622 -7.729 1.869 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.648 -7.047 0.125 1.00 0.00 C ATOM 75 CE2 TYR A 8 -13.281 -8.715 1.161 1.00 0.00 C ATOM 76 CZ TYR A 8 -14.294 -8.369 0.291 1.00 0.00 C ATOM 77 OH TYR A 8 -14.953 -9.348 -0.417 1.00 0.00 O ATOM 0 HA TYR A 8 -13.965 -5.104 3.756 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -11.722 -4.656 1.797 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -11.470 -5.780 3.118 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.263 -5.032 0.703 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.830 -8.004 2.550 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -15.441 -6.779 -0.557 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.005 -9.751 1.288 1.00 0.00 H new ATOM 0 HH TYR A 8 -15.259 -8.983 -1.273 1.00 0.00 H new ATOM 87 N GLY A 9 -11.427 -3.046 4.311 1.00 0.00 N ATOM 88 CA GLY A 9 -10.624 -2.471 5.374 1.00 0.00 C ATOM 89 C GLY A 9 -9.253 -2.036 4.894 1.00 0.00 C ATOM 90 O GLY A 9 -8.752 -2.538 3.888 1.00 0.00 O ATOM 0 H GLY A 9 -11.202 -2.710 3.374 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.147 -1.613 5.797 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.510 -3.201 6.175 1.00 0.00 H new ATOM 94 N SER A 10 -8.646 -1.099 5.615 1.00 0.00 N ATOM 95 CA SER A 10 -7.327 -0.593 5.254 1.00 0.00 C ATOM 96 C SER A 10 -6.231 -1.355 5.993 1.00 0.00 C ATOM 97 O SER A 10 -5.166 -1.623 5.439 1.00 0.00 O ATOM 98 CB SER A 10 -7.227 0.901 5.570 1.00 0.00 C ATOM 99 OG SER A 10 -7.176 1.124 6.969 1.00 0.00 O ATOM 0 H SER A 10 -9.046 -0.675 6.452 1.00 0.00 H new ATOM 0 HA SER A 10 -7.189 -0.741 4.183 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.336 1.317 5.100 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.084 1.424 5.146 1.00 0.00 H new ATOM 0 HG SER A 10 -7.111 2.086 7.145 1.00 0.00 H new ATOM 105 N GLU A 11 -6.503 -1.702 7.247 1.00 0.00 N ATOM 106 CA GLU A 11 -5.540 -2.432 8.062 1.00 0.00 C ATOM 107 C GLU A 11 -5.936 -3.901 8.187 1.00 0.00 C ATOM 108 O GLU A 11 -7.120 -4.234 8.250 1.00 0.00 O ATOM 109 CB GLU A 11 -5.433 -1.802 9.453 1.00 0.00 C ATOM 110 CG GLU A 11 -4.543 -2.581 10.407 1.00 0.00 C ATOM 111 CD GLU A 11 -4.944 -2.400 11.858 1.00 0.00 C ATOM 112 OE1 GLU A 11 -5.947 -3.015 12.277 1.00 0.00 O ATOM 113 OE2 GLU A 11 -4.256 -1.643 12.574 1.00 0.00 O ATOM 0 H GLU A 11 -7.381 -1.489 7.720 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.569 -2.375 7.569 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.046 -0.788 9.355 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.431 -1.722 9.884 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.583 -3.640 10.152 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.509 -2.261 10.277 1.00 0.00 H new ATOM 120 N LYS A 12 -4.937 -4.776 8.220 1.00 0.00 N ATOM 121 CA LYS A 12 -5.178 -6.209 8.337 1.00 0.00 C ATOM 122 C LYS A 12 -3.878 -6.959 8.610 1.00 0.00 C ATOM 123 O LYS A 12 -2.921 -6.864 7.842 1.00 0.00 O ATOM 124 CB LYS A 12 -5.829 -6.744 7.059 1.00 0.00 C ATOM 125 CG LYS A 12 -5.924 -8.259 7.013 1.00 0.00 C ATOM 126 CD LYS A 12 -6.011 -8.769 5.585 1.00 0.00 C ATOM 127 CE LYS A 12 -6.025 -10.289 5.536 1.00 0.00 C ATOM 128 NZ LYS A 12 -7.217 -10.856 6.224 1.00 0.00 N ATOM 0 H LYS A 12 -3.952 -4.517 8.167 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.854 -6.371 9.177 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.830 -6.323 6.967 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.257 -6.398 6.198 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.053 -8.694 7.503 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.801 -8.587 7.571 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.913 -8.380 5.113 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.164 -8.393 5.011 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.015 -10.619 4.497 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.119 -10.676 6.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.271 -11.878 6.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.137 -10.693 7.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.077 -10.393 5.866 1.00 0.00 H new ATOM 142 N LYS A 13 -3.851 -7.707 9.708 1.00 0.00 N ATOM 143 CA LYS A 13 -2.671 -8.476 10.082 1.00 0.00 C ATOM 144 C LYS A 13 -2.945 -9.974 9.988 1.00 0.00 C ATOM 145 O LYS A 13 -3.966 -10.460 10.474 1.00 0.00 O ATOM 146 CB LYS A 13 -2.230 -8.116 11.503 1.00 0.00 C ATOM 147 CG LYS A 13 -1.128 -9.010 12.044 1.00 0.00 C ATOM 148 CD LYS A 13 -1.090 -8.991 13.562 1.00 0.00 C ATOM 149 CE LYS A 13 -0.564 -10.303 14.123 1.00 0.00 C ATOM 150 NZ LYS A 13 -0.461 -10.270 15.609 1.00 0.00 N ATOM 0 H LYS A 13 -4.634 -7.797 10.355 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.871 -8.226 9.386 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.886 -7.082 11.516 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.092 -8.174 12.167 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.283 -10.031 11.696 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.166 -8.682 11.651 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.458 -8.170 13.901 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.091 -8.804 13.950 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.224 -11.117 13.823 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.416 -10.514 13.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.099 -11.182 15.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.189 -9.510 15.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.401 -10.095 16.018 1.00 0.00 H new ATOM 164 N GLY A 14 -2.025 -10.702 9.362 1.00 0.00 N ATOM 165 CA GLY A 14 -2.186 -12.137 9.218 1.00 0.00 C ATOM 166 C GLY A 14 -0.957 -12.802 8.629 1.00 0.00 C ATOM 167 O GLY A 14 0.169 -12.511 9.035 1.00 0.00 O ATOM 0 H GLY A 14 -1.171 -10.323 8.952 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.400 -12.575 10.193 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.046 -12.341 8.581 1.00 0.00 H new ATOM 171 N TYR A 15 -1.173 -13.698 7.673 1.00 0.00 N ATOM 172 CA TYR A 15 -0.074 -14.409 7.030 1.00 0.00 C ATOM 173 C TYR A 15 -0.291 -14.499 5.523 1.00 0.00 C ATOM 174 O TYR A 15 -1.426 -14.509 5.046 1.00 0.00 O ATOM 175 CB TYR A 15 0.067 -15.813 7.621 1.00 0.00 C ATOM 176 CG TYR A 15 0.999 -15.878 8.811 1.00 0.00 C ATOM 177 CD1 TYR A 15 0.711 -15.188 9.982 1.00 0.00 C ATOM 178 CD2 TYR A 15 2.167 -16.629 8.763 1.00 0.00 C ATOM 179 CE1 TYR A 15 1.559 -15.244 11.071 1.00 0.00 C ATOM 180 CE2 TYR A 15 3.020 -16.692 9.847 1.00 0.00 C ATOM 181 CZ TYR A 15 2.712 -15.998 10.999 1.00 0.00 C ATOM 182 OH TYR A 15 3.561 -16.057 12.081 1.00 0.00 O ATOM 0 H TYR A 15 -2.099 -13.949 7.326 1.00 0.00 H new ATOM 0 HA TYR A 15 0.844 -13.850 7.214 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.917 -16.173 7.921 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.431 -16.489 6.847 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.191 -14.598 10.042 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.412 -17.173 7.863 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.321 -14.701 11.973 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.923 -17.281 9.793 1.00 0.00 H new ATOM 0 HH TYR A 15 4.325 -16.631 11.866 1.00 0.00 H new ATOM 192 N LEU A 16 0.807 -14.566 4.777 1.00 0.00 N ATOM 193 CA LEU A 16 0.739 -14.656 3.323 1.00 0.00 C ATOM 194 C LEU A 16 1.885 -15.502 2.776 1.00 0.00 C ATOM 195 O LEU A 16 2.965 -15.559 3.365 1.00 0.00 O ATOM 196 CB LEU A 16 0.781 -13.259 2.703 1.00 0.00 C ATOM 197 CG LEU A 16 -0.572 -12.578 2.490 1.00 0.00 C ATOM 198 CD1 LEU A 16 -0.381 -11.125 2.084 1.00 0.00 C ATOM 199 CD2 LEU A 16 -1.385 -13.324 1.442 1.00 0.00 C ATOM 0 H LEU A 16 1.754 -14.560 5.155 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.203 -15.136 3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.391 -12.619 3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.287 -13.326 1.740 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.121 -12.601 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.355 -10.657 1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.161 -10.596 2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.188 -11.078 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.344 -12.826 1.303 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.841 -13.333 0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.553 -14.349 1.773 1.00 0.00 H new ATOM 211 N LEU A 17 1.643 -16.156 1.645 1.00 0.00 N ATOM 212 CA LEU A 17 2.656 -16.997 1.016 1.00 0.00 C ATOM 213 C LEU A 17 3.589 -16.165 0.143 1.00 0.00 C ATOM 214 O LEU A 17 3.142 -15.336 -0.650 1.00 0.00 O ATOM 215 CB LEU A 17 1.990 -18.088 0.176 1.00 0.00 C ATOM 216 CG LEU A 17 0.855 -18.858 0.852 1.00 0.00 C ATOM 217 CD1 LEU A 17 0.061 -19.649 -0.175 1.00 0.00 C ATOM 218 CD2 LEU A 17 1.405 -19.781 1.930 1.00 0.00 C ATOM 0 H LEU A 17 0.755 -16.120 1.145 1.00 0.00 H new ATOM 0 HA LEU A 17 3.247 -17.463 1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.600 -17.631 -0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.755 -18.802 -0.128 1.00 0.00 H new ATOM 0 HG LEU A 17 0.185 -18.140 1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.742 -20.190 0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.364 -18.966 -0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.720 -20.358 -0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.583 -20.321 2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.097 -20.493 1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.929 -19.191 2.682 1.00 0.00 H new ATOM 230 N LYS A 18 4.890 -16.393 0.293 1.00 0.00 N ATOM 231 CA LYS A 18 5.888 -15.667 -0.484 1.00 0.00 C ATOM 232 C LYS A 18 6.972 -16.612 -0.994 1.00 0.00 C ATOM 233 O LYS A 18 7.539 -17.393 -0.231 1.00 0.00 O ATOM 234 CB LYS A 18 6.520 -14.561 0.365 1.00 0.00 C ATOM 235 CG LYS A 18 7.309 -13.548 -0.446 1.00 0.00 C ATOM 236 CD LYS A 18 8.002 -12.535 0.449 1.00 0.00 C ATOM 237 CE LYS A 18 9.034 -11.725 -0.320 1.00 0.00 C ATOM 238 NZ LYS A 18 10.220 -12.547 -0.690 1.00 0.00 N ATOM 0 H LYS A 18 5.278 -17.075 0.945 1.00 0.00 H new ATOM 0 HA LYS A 18 5.388 -15.217 -1.342 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.734 -14.042 0.914 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.179 -15.014 1.105 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.051 -14.066 -1.054 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.640 -13.030 -1.133 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.261 -11.864 0.882 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.487 -13.052 1.277 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.578 -11.319 -1.223 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.354 -10.877 0.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.004 -11.921 -0.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.507 -13.128 0.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.977 -13.167 -1.489 1.00 0.00 H new ATOM 252 N LYS A 19 7.256 -16.534 -2.290 1.00 0.00 N ATOM 253 CA LYS A 19 8.273 -17.379 -2.903 1.00 0.00 C ATOM 254 C LYS A 19 9.506 -17.480 -2.012 1.00 0.00 C ATOM 255 O LYS A 19 9.907 -16.504 -1.377 1.00 0.00 O ATOM 256 CB LYS A 19 8.666 -16.827 -4.275 1.00 0.00 C ATOM 257 CG LYS A 19 9.105 -17.897 -5.259 1.00 0.00 C ATOM 258 CD LYS A 19 7.913 -18.607 -5.879 1.00 0.00 C ATOM 259 CE LYS A 19 7.360 -17.835 -7.068 1.00 0.00 C ATOM 260 NZ LYS A 19 6.118 -18.456 -7.604 1.00 0.00 N ATOM 0 H LYS A 19 6.795 -15.893 -2.936 1.00 0.00 H new ATOM 0 HA LYS A 19 7.853 -18.377 -3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.819 -16.285 -4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.475 -16.107 -4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.709 -17.444 -6.045 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.738 -18.624 -4.749 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.209 -19.606 -6.199 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.132 -18.731 -5.129 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.152 -16.808 -6.769 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.113 -17.792 -7.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.727 -17.855 -8.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.339 -19.396 -7.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.420 -18.552 -6.839 1.00 0.00 H new ATOM 385 N TRP A 27 6.448 -22.109 -2.199 1.00 0.00 N ATOM 386 CA TRP A 27 5.646 -21.118 -1.489 1.00 0.00 C ATOM 387 C TRP A 27 5.616 -21.412 0.006 1.00 0.00 C ATOM 388 O TRP A 27 5.165 -22.476 0.429 1.00 0.00 O ATOM 389 CB TRP A 27 4.222 -21.091 -2.046 1.00 0.00 C ATOM 390 CG TRP A 27 4.127 -20.473 -3.408 1.00 0.00 C ATOM 391 CD1 TRP A 27 4.138 -21.126 -4.607 1.00 0.00 C ATOM 392 CD2 TRP A 27 4.010 -19.078 -3.709 1.00 0.00 C ATOM 393 NE1 TRP A 27 4.034 -20.221 -5.636 1.00 0.00 N ATOM 394 CE2 TRP A 27 3.953 -18.958 -5.111 1.00 0.00 C ATOM 395 CE3 TRP A 27 3.945 -17.919 -2.931 1.00 0.00 C ATOM 396 CZ2 TRP A 27 3.837 -17.726 -5.749 1.00 0.00 C ATOM 397 CZ3 TRP A 27 3.829 -16.697 -3.565 1.00 0.00 C ATOM 398 CH2 TRP A 27 3.775 -16.608 -4.963 1.00 0.00 C ATOM 0 HA TRP A 27 6.105 -20.141 -1.638 1.00 0.00 H new ATOM 0 HB2 TRP A 27 3.838 -22.110 -2.090 1.00 0.00 H new ATOM 0 HB3 TRP A 27 3.581 -20.538 -1.359 1.00 0.00 H new ATOM 0 HD1 TRP A 27 4.217 -22.196 -4.729 1.00 0.00 H new ATOM 0 HE1 TRP A 27 4.019 -20.452 -6.629 1.00 0.00 H new ATOM 0 HE3 TRP A 27 3.985 -17.977 -1.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 3.797 -17.655 -6.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.779 -15.795 -2.973 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.683 -15.638 -5.429 1.00 0.00 H new ATOM 409 N GLN A 28 6.097 -20.462 0.801 1.00 0.00 N ATOM 410 CA GLN A 28 6.125 -20.621 2.251 1.00 0.00 C ATOM 411 C GLN A 28 5.374 -19.485 2.937 1.00 0.00 C ATOM 412 O GLN A 28 5.682 -18.311 2.731 1.00 0.00 O ATOM 413 CB GLN A 28 7.569 -20.670 2.752 1.00 0.00 C ATOM 414 CG GLN A 28 8.334 -21.898 2.285 1.00 0.00 C ATOM 415 CD GLN A 28 7.902 -23.162 3.001 1.00 0.00 C ATOM 416 OE1 GLN A 28 7.682 -23.159 4.212 1.00 0.00 O ATOM 417 NE2 GLN A 28 7.778 -24.253 2.254 1.00 0.00 N ATOM 0 H GLN A 28 6.472 -19.575 0.466 1.00 0.00 H new ATOM 0 HA GLN A 28 5.631 -21.560 2.498 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.093 -19.776 2.414 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.568 -20.646 3.842 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.189 -22.025 1.212 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.400 -21.740 2.446 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.971 -24.210 1.253 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.490 -25.133 2.681 1.00 0.00 H new ATOM 426 N ARG A 29 4.388 -19.842 3.753 1.00 0.00 N ATOM 427 CA ARG A 29 3.592 -18.852 4.469 1.00 0.00 C ATOM 428 C ARG A 29 4.469 -18.018 5.399 1.00 0.00 C ATOM 429 O ARG A 29 5.365 -18.544 6.059 1.00 0.00 O ATOM 430 CB ARG A 29 2.487 -19.539 5.273 1.00 0.00 C ATOM 431 CG ARG A 29 2.921 -19.960 6.668 1.00 0.00 C ATOM 432 CD ARG A 29 3.990 -21.041 6.617 1.00 0.00 C ATOM 433 NE ARG A 29 3.483 -22.285 6.046 1.00 0.00 N ATOM 434 CZ ARG A 29 4.080 -23.462 6.200 1.00 0.00 C ATOM 435 NH1 ARG A 29 5.200 -23.553 6.903 1.00 0.00 N ATOM 436 NH2 ARG A 29 3.558 -24.550 5.649 1.00 0.00 N ATOM 0 H ARG A 29 4.121 -20.809 3.935 1.00 0.00 H new ATOM 0 HA ARG A 29 3.138 -18.188 3.734 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.635 -18.864 5.355 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.145 -20.418 4.727 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.303 -19.094 7.208 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.058 -20.326 7.224 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.834 -20.688 6.025 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.363 -21.230 7.624 1.00 0.00 H new ATOM 0 HE ARG A 29 2.623 -22.249 5.499 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.605 -22.718 7.327 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.657 -24.458 7.020 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.697 -24.484 5.106 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.018 -25.453 5.768 1.00 0.00 H new ATOM 450 N ARG A 30 4.205 -16.717 5.444 1.00 0.00 N ATOM 451 CA ARG A 30 4.971 -15.810 6.290 1.00 0.00 C ATOM 452 C ARG A 30 4.048 -14.839 7.021 1.00 0.00 C ATOM 453 O ARG A 30 2.935 -14.564 6.571 1.00 0.00 O ATOM 454 CB ARG A 30 5.988 -15.033 5.453 1.00 0.00 C ATOM 455 CG ARG A 30 7.115 -14.426 6.272 1.00 0.00 C ATOM 456 CD ARG A 30 8.169 -15.464 6.623 1.00 0.00 C ATOM 457 NE ARG A 30 8.900 -15.113 7.838 1.00 0.00 N ATOM 458 CZ ARG A 30 8.460 -15.380 9.063 1.00 0.00 C ATOM 459 NH1 ARG A 30 7.299 -15.997 9.234 1.00 0.00 N ATOM 460 NH2 ARG A 30 9.182 -15.029 10.120 1.00 0.00 N ATOM 0 H ARG A 30 3.466 -16.267 4.904 1.00 0.00 H new ATOM 0 HA ARG A 30 5.503 -16.407 7.031 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.414 -15.700 4.703 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.472 -14.238 4.916 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.576 -13.612 5.712 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.710 -13.994 7.187 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.692 -16.435 6.755 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.870 -15.563 5.794 1.00 0.00 H new ATOM 0 HE ARG A 30 9.797 -14.637 7.741 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.741 -16.268 8.424 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.964 -16.201 10.175 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.075 -14.554 9.992 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.843 -15.234 11.060 1.00 0.00 H new ATOM 474 N LYS A 31 4.518 -14.321 8.151 1.00 0.00 N ATOM 475 CA LYS A 31 3.737 -13.380 8.944 1.00 0.00 C ATOM 476 C LYS A 31 3.707 -12.005 8.284 1.00 0.00 C ATOM 477 O LYS A 31 4.694 -11.269 8.315 1.00 0.00 O ATOM 478 CB LYS A 31 4.318 -13.266 10.356 1.00 0.00 C ATOM 479 CG LYS A 31 3.363 -12.642 11.358 1.00 0.00 C ATOM 480 CD LYS A 31 3.390 -11.124 11.284 1.00 0.00 C ATOM 481 CE LYS A 31 3.038 -10.495 12.623 1.00 0.00 C ATOM 482 NZ LYS A 31 4.242 -10.296 13.476 1.00 0.00 N ATOM 0 H LYS A 31 5.437 -14.537 8.538 1.00 0.00 H new ATOM 0 HA LYS A 31 2.716 -13.756 9.006 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.600 -14.259 10.705 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.231 -12.671 10.317 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.351 -12.998 11.168 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.630 -12.963 12.365 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.380 -10.791 10.974 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.687 -10.783 10.524 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.549 -9.535 12.456 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.323 -11.130 13.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.960 -9.865 14.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.695 -11.215 13.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.913 -9.669 12.988 1.00 0.00 H new ATOM 496 N CYS A 32 2.569 -11.666 7.688 1.00 0.00 N ATOM 497 CA CYS A 32 2.411 -10.379 7.020 1.00 0.00 C ATOM 498 C CYS A 32 1.469 -9.471 7.805 1.00 0.00 C ATOM 499 O CYS A 32 0.698 -9.937 8.644 1.00 0.00 O ATOM 500 CB CYS A 32 1.879 -10.579 5.600 1.00 0.00 C ATOM 501 SG CYS A 32 3.148 -11.034 4.394 1.00 0.00 S ATOM 0 H CYS A 32 1.743 -12.264 7.654 1.00 0.00 H new ATOM 0 HA CYS A 32 3.390 -9.902 6.970 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.113 -11.355 5.616 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.394 -9.659 5.272 1.00 0.00 H new ATOM 0 HG CYS A 32 2.719 -10.775 3.194 1.00 0.00 H new ATOM 507 N SER A 33 1.537 -8.173 7.527 1.00 0.00 N ATOM 508 CA SER A 33 0.695 -7.199 8.210 1.00 0.00 C ATOM 509 C SER A 33 0.552 -5.927 7.381 1.00 0.00 C ATOM 510 O SER A 33 1.436 -5.580 6.598 1.00 0.00 O ATOM 511 CB SER A 33 1.278 -6.864 9.584 1.00 0.00 C ATOM 512 OG SER A 33 0.664 -5.710 10.131 1.00 0.00 O ATOM 0 H SER A 33 2.167 -7.772 6.833 1.00 0.00 H new ATOM 0 HA SER A 33 -0.294 -7.639 8.340 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.137 -7.709 10.258 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.352 -6.701 9.497 1.00 0.00 H new ATOM 0 HG SER A 33 1.053 -5.518 11.010 1.00 0.00 H new ATOM 518 N VAL A 34 -0.568 -5.234 7.559 1.00 0.00 N ATOM 519 CA VAL A 34 -0.828 -3.999 6.829 1.00 0.00 C ATOM 520 C VAL A 34 -1.514 -2.969 7.718 1.00 0.00 C ATOM 521 O VAL A 34 -2.577 -3.229 8.283 1.00 0.00 O ATOM 522 CB VAL A 34 -1.704 -4.255 5.588 1.00 0.00 C ATOM 523 CG1 VAL A 34 -2.435 -2.985 5.179 1.00 0.00 C ATOM 524 CG2 VAL A 34 -0.858 -4.785 4.440 1.00 0.00 C ATOM 0 H VAL A 34 -1.310 -5.507 8.203 1.00 0.00 H new ATOM 0 HA VAL A 34 0.139 -3.611 6.509 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.449 -5.010 5.840 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.049 -3.185 4.301 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.072 -2.652 5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.709 -2.207 4.944 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.492 -4.960 3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.090 -4.054 4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.385 -5.720 4.738 1.00 0.00 H new ATOM 534 N LYS A 35 -0.900 -1.797 7.839 1.00 0.00 N ATOM 535 CA LYS A 35 -1.452 -0.724 8.659 1.00 0.00 C ATOM 536 C LYS A 35 -0.851 0.622 8.268 1.00 0.00 C ATOM 537 O LYS A 35 0.359 0.743 8.087 1.00 0.00 O ATOM 538 CB LYS A 35 -1.190 -1.001 10.141 1.00 0.00 C ATOM 539 CG LYS A 35 -1.874 -0.016 11.074 1.00 0.00 C ATOM 540 CD LYS A 35 -0.988 1.184 11.364 1.00 0.00 C ATOM 541 CE LYS A 35 -0.072 0.927 12.550 1.00 0.00 C ATOM 542 NZ LYS A 35 0.972 -0.087 12.234 1.00 0.00 N ATOM 0 H LYS A 35 -0.019 -1.566 7.379 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.528 -0.685 8.488 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.529 -2.009 10.379 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.116 -0.975 10.323 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.809 0.321 10.627 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.129 -0.516 12.009 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.389 1.416 10.484 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.610 2.056 11.565 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.406 1.860 12.849 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.664 0.586 13.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.736 -0.030 12.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.551 -1.038 12.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.360 0.098 11.287 1.00 0.00 H new ATOM 556 N ASN A 36 -1.706 1.632 8.142 1.00 0.00 N ATOM 557 CA ASN A 36 -1.259 2.971 7.774 1.00 0.00 C ATOM 558 C ASN A 36 -0.601 2.965 6.397 1.00 0.00 C ATOM 559 O ASN A 36 0.323 3.733 6.136 1.00 0.00 O ATOM 560 CB ASN A 36 -0.278 3.508 8.818 1.00 0.00 C ATOM 561 CG ASN A 36 -0.972 3.935 10.097 1.00 0.00 C ATOM 562 OD1 ASN A 36 -2.143 4.316 10.084 1.00 0.00 O ATOM 563 ND2 ASN A 36 -0.251 3.873 11.210 1.00 0.00 N ATOM 0 H ASN A 36 -2.712 1.549 8.289 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.132 3.622 7.737 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.461 2.740 9.048 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.264 4.357 8.401 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.664 4.147 12.101 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.716 3.551 11.174 1.00 0.00 H new ATOM 570 N GLY A 37 -1.087 2.093 5.519 1.00 0.00 N ATOM 571 CA GLY A 37 -0.535 2.004 4.179 1.00 0.00 C ATOM 572 C GLY A 37 0.876 1.451 4.169 1.00 0.00 C ATOM 573 O GLY A 37 1.688 1.820 3.320 1.00 0.00 O ATOM 0 H GLY A 37 -1.853 1.447 5.711 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.175 1.369 3.567 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.537 2.994 3.722 1.00 0.00 H new ATOM 577 N ILE A 38 1.170 0.566 5.116 1.00 0.00 N ATOM 578 CA ILE A 38 2.493 -0.038 5.212 1.00 0.00 C ATOM 579 C ILE A 38 2.396 -1.547 5.408 1.00 0.00 C ATOM 580 O ILE A 38 1.625 -2.028 6.240 1.00 0.00 O ATOM 581 CB ILE A 38 3.305 0.568 6.373 1.00 0.00 C ATOM 582 CG1 ILE A 38 3.448 2.080 6.189 1.00 0.00 C ATOM 583 CG2 ILE A 38 4.673 -0.092 6.463 1.00 0.00 C ATOM 584 CD1 ILE A 38 4.224 2.468 4.950 1.00 0.00 C ATOM 0 H ILE A 38 0.510 0.252 5.827 1.00 0.00 H new ATOM 0 HA ILE A 38 3.005 0.171 4.273 1.00 0.00 H new ATOM 0 HB ILE A 38 2.772 0.383 7.306 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.455 2.527 6.141 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.944 2.499 7.064 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.235 0.346 7.288 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.550 -1.161 6.635 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.215 0.065 5.530 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.285 3.554 4.884 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.229 2.050 5.005 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.717 2.079 4.067 1.00 0.00 H new ATOM 596 N LEU A 39 3.184 -2.290 4.639 1.00 0.00 N ATOM 597 CA LEU A 39 3.189 -3.746 4.728 1.00 0.00 C ATOM 598 C LEU A 39 4.442 -4.243 5.442 1.00 0.00 C ATOM 599 O LEU A 39 5.563 -4.010 4.987 1.00 0.00 O ATOM 600 CB LEU A 39 3.105 -4.363 3.331 1.00 0.00 C ATOM 601 CG LEU A 39 3.408 -5.858 3.238 1.00 0.00 C ATOM 602 CD1 LEU A 39 2.362 -6.663 3.994 1.00 0.00 C ATOM 603 CD2 LEU A 39 3.474 -6.300 1.783 1.00 0.00 C ATOM 0 H LEU A 39 3.828 -1.908 3.946 1.00 0.00 H new ATOM 0 HA LEU A 39 2.318 -4.053 5.306 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.102 -4.191 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.798 -3.831 2.679 1.00 0.00 H new ATOM 0 HG LEU A 39 4.380 -6.041 3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.594 -7.725 3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.363 -6.367 5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.378 -6.475 3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.691 -7.367 1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.518 -6.102 1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.261 -5.747 1.270 1.00 0.00 H new ATOM 615 N THR A 40 4.245 -4.933 6.561 1.00 0.00 N ATOM 616 CA THR A 40 5.358 -5.464 7.337 1.00 0.00 C ATOM 617 C THR A 40 5.545 -6.955 7.080 1.00 0.00 C ATOM 618 O THR A 40 4.582 -7.722 7.089 1.00 0.00 O ATOM 619 CB THR A 40 5.150 -5.238 8.846 1.00 0.00 C ATOM 620 OG1 THR A 40 4.734 -3.889 9.086 1.00 0.00 O ATOM 621 CG2 THR A 40 6.429 -5.524 9.618 1.00 0.00 C ATOM 0 H THR A 40 3.324 -5.137 6.950 1.00 0.00 H new ATOM 0 HA THR A 40 6.251 -4.927 7.016 1.00 0.00 H new ATOM 0 HB THR A 40 4.376 -5.924 9.190 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.602 -3.754 10.048 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.257 -5.357 10.681 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.728 -6.560 9.457 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.220 -4.860 9.270 1.00 0.00 H new ATOM 629 N ILE A 41 6.790 -7.359 6.851 1.00 0.00 N ATOM 630 CA ILE A 41 7.103 -8.760 6.592 1.00 0.00 C ATOM 631 C ILE A 41 8.249 -9.239 7.476 1.00 0.00 C ATOM 632 O ILE A 41 9.408 -8.889 7.251 1.00 0.00 O ATOM 633 CB ILE A 41 7.476 -8.990 5.116 1.00 0.00 C ATOM 634 CG1 ILE A 41 6.328 -8.556 4.203 1.00 0.00 C ATOM 635 CG2 ILE A 41 7.824 -10.452 4.880 1.00 0.00 C ATOM 636 CD1 ILE A 41 6.778 -8.152 2.816 1.00 0.00 C ATOM 0 H ILE A 41 7.598 -6.737 6.839 1.00 0.00 H new ATOM 0 HA ILE A 41 6.205 -9.333 6.824 1.00 0.00 H new ATOM 0 HB ILE A 41 8.351 -8.385 4.879 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.612 -9.373 4.120 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.804 -7.719 4.664 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.086 -10.599 3.832 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.670 -10.730 5.508 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.966 -11.075 5.131 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.912 -7.856 2.224 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.471 -7.314 2.888 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.276 -8.994 2.335 1.00 0.00 H new ATOM 648 N SER A 42 7.918 -10.043 8.481 1.00 0.00 N ATOM 649 CA SER A 42 8.920 -10.569 9.401 1.00 0.00 C ATOM 650 C SER A 42 9.729 -11.683 8.743 1.00 0.00 C ATOM 651 O SER A 42 9.237 -12.798 8.559 1.00 0.00 O ATOM 652 CB SER A 42 8.250 -11.093 10.673 1.00 0.00 C ATOM 653 OG SER A 42 9.122 -10.995 11.786 1.00 0.00 O ATOM 0 H SER A 42 6.964 -10.345 8.679 1.00 0.00 H new ATOM 0 HA SER A 42 9.598 -9.757 9.664 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.340 -10.526 10.869 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.953 -12.132 10.530 1.00 0.00 H new ATOM 0 HG SER A 42 8.670 -11.334 12.587 1.00 0.00 H new ATOM 767 N PRO A 50 11.606 -6.272 10.871 1.00 0.00 N ATOM 768 CA PRO A 50 10.925 -6.780 9.677 1.00 0.00 C ATOM 769 C PRO A 50 11.097 -5.859 8.475 1.00 0.00 C ATOM 770 O PRO A 50 11.597 -4.742 8.604 1.00 0.00 O ATOM 771 CB PRO A 50 9.456 -6.835 10.103 1.00 0.00 C ATOM 772 CG PRO A 50 9.337 -5.817 11.184 1.00 0.00 C ATOM 773 CD PRO A 50 10.658 -5.820 11.903 1.00 0.00 C ATOM 0 HA PRO A 50 11.327 -7.741 9.357 1.00 0.00 H new ATOM 0 HB2 PRO A 50 8.793 -6.606 9.269 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.185 -7.828 10.462 1.00 0.00 H new ATOM 0 HG2 PRO A 50 9.120 -4.832 10.770 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.522 -6.064 11.864 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.914 -4.829 12.278 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.647 -6.492 12.761 1.00 0.00 H new ATOM 781 N ALA A 51 10.679 -6.333 7.306 1.00 0.00 N ATOM 782 CA ALA A 51 10.784 -5.551 6.081 1.00 0.00 C ATOM 783 C ALA A 51 9.484 -4.809 5.790 1.00 0.00 C ATOM 784 O ALA A 51 8.494 -5.410 5.374 1.00 0.00 O ATOM 785 CB ALA A 51 11.155 -6.449 4.911 1.00 0.00 C ATOM 0 H ALA A 51 10.264 -7.256 7.182 1.00 0.00 H new ATOM 0 HA ALA A 51 11.571 -4.810 6.219 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.230 -5.851 4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.114 -6.928 5.110 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.388 -7.212 4.781 1.00 0.00 H new ATOM 791 N LYS A 52 9.494 -3.499 6.012 1.00 0.00 N ATOM 792 CA LYS A 52 8.316 -2.673 5.773 1.00 0.00 C ATOM 793 C LYS A 52 8.335 -2.092 4.363 1.00 0.00 C ATOM 794 O LYS A 52 9.306 -1.451 3.958 1.00 0.00 O ATOM 795 CB LYS A 52 8.244 -1.542 6.801 1.00 0.00 C ATOM 796 CG LYS A 52 7.659 -1.969 8.136 1.00 0.00 C ATOM 797 CD LYS A 52 7.152 -0.776 8.930 1.00 0.00 C ATOM 798 CE LYS A 52 8.238 -0.201 9.826 1.00 0.00 C ATOM 799 NZ LYS A 52 9.169 0.683 9.070 1.00 0.00 N ATOM 0 H LYS A 52 10.305 -2.986 6.357 1.00 0.00 H new ATOM 0 HA LYS A 52 7.434 -3.305 5.874 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.246 -1.146 6.963 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.642 -0.730 6.393 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.841 -2.670 7.968 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.417 -2.497 8.715 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.798 -0.005 8.245 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.299 -1.078 9.538 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.779 0.364 10.637 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.801 -1.015 10.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.631 1.344 9.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.891 0.103 8.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.635 1.220 8.357 1.00 0.00 H new ATOM 813 N LEU A 53 7.258 -2.319 3.620 1.00 0.00 N ATOM 814 CA LEU A 53 7.150 -1.817 2.254 1.00 0.00 C ATOM 815 C LEU A 53 6.144 -0.674 2.172 1.00 0.00 C ATOM 816 O LEU A 53 5.099 -0.706 2.821 1.00 0.00 O ATOM 817 CB LEU A 53 6.737 -2.944 1.307 1.00 0.00 C ATOM 818 CG LEU A 53 7.874 -3.796 0.740 1.00 0.00 C ATOM 819 CD1 LEU A 53 7.382 -5.199 0.422 1.00 0.00 C ATOM 820 CD2 LEU A 53 8.462 -3.141 -0.501 1.00 0.00 C ATOM 0 H LEU A 53 6.446 -2.848 3.940 1.00 0.00 H new ATOM 0 HA LEU A 53 8.127 -1.438 1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.047 -3.601 1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.187 -2.508 0.474 1.00 0.00 H new ATOM 0 HG LEU A 53 8.658 -3.871 1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.204 -5.791 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.008 -5.669 1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.580 -5.145 -0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.270 -3.760 -0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.686 -3.036 -1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.852 -2.157 -0.243 1.00 0.00 H new ATOM 832 N ASN A 54 6.466 0.335 1.369 1.00 0.00 N ATOM 833 CA ASN A 54 5.590 1.488 1.201 1.00 0.00 C ATOM 834 C ASN A 54 4.556 1.231 0.109 1.00 0.00 C ATOM 835 O ASN A 54 4.897 1.124 -1.071 1.00 0.00 O ATOM 836 CB ASN A 54 6.411 2.733 0.860 1.00 0.00 C ATOM 837 CG ASN A 54 5.756 4.010 1.351 1.00 0.00 C ATOM 838 OD1 ASN A 54 5.125 4.030 2.408 1.00 0.00 O ATOM 839 ND2 ASN A 54 5.903 5.083 0.583 1.00 0.00 N ATOM 0 H ASN A 54 7.327 0.377 0.824 1.00 0.00 H new ATOM 0 HA ASN A 54 5.065 1.654 2.142 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.403 2.643 1.303 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.548 2.790 -0.220 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.484 5.971 0.861 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.435 5.020 -0.285 1.00 0.00 H new ATOM 846 N LEU A 55 3.293 1.134 0.508 1.00 0.00 N ATOM 847 CA LEU A 55 2.209 0.890 -0.437 1.00 0.00 C ATOM 848 C LEU A 55 1.870 2.157 -1.216 1.00 0.00 C ATOM 849 O LEU A 55 1.093 2.123 -2.171 1.00 0.00 O ATOM 850 CB LEU A 55 0.968 0.384 0.300 1.00 0.00 C ATOM 851 CG LEU A 55 0.978 -1.094 0.695 1.00 0.00 C ATOM 852 CD1 LEU A 55 2.277 -1.449 1.401 1.00 0.00 C ATOM 853 CD2 LEU A 55 -0.218 -1.418 1.579 1.00 0.00 C ATOM 0 H LEU A 55 2.994 1.221 1.479 1.00 0.00 H new ATOM 0 HA LEU A 55 2.540 0.129 -1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.838 0.980 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.097 0.565 -0.330 1.00 0.00 H new ATOM 0 HG LEU A 55 0.906 -1.693 -0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.266 -2.504 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.118 -1.256 0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.380 -0.842 2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.195 -2.473 1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.178 -0.810 2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.139 -1.203 1.038 1.00 0.00 H new ATOM 865 N LEU A 56 2.459 3.274 -0.803 1.00 0.00 N ATOM 866 CA LEU A 56 2.222 4.553 -1.464 1.00 0.00 C ATOM 867 C LEU A 56 2.865 4.580 -2.846 1.00 0.00 C ATOM 868 O LEU A 56 2.379 5.251 -3.757 1.00 0.00 O ATOM 869 CB LEU A 56 2.769 5.699 -0.611 1.00 0.00 C ATOM 870 CG LEU A 56 2.693 5.504 0.904 1.00 0.00 C ATOM 871 CD1 LEU A 56 3.029 6.800 1.626 1.00 0.00 C ATOM 872 CD2 LEU A 56 1.312 5.009 1.309 1.00 0.00 C ATOM 0 H LEU A 56 3.104 3.320 -0.014 1.00 0.00 H new ATOM 0 HA LEU A 56 1.146 4.678 -1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.811 5.863 -0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.225 6.608 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 56 3.426 4.751 1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.970 6.642 2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.038 7.114 1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.320 7.574 1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.276 4.876 2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.561 5.739 1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.109 4.057 0.819 1.00 0.00 H new ATOM 884 N THR A 57 3.962 3.843 -2.997 1.00 0.00 N ATOM 885 CA THR A 57 4.672 3.781 -4.268 1.00 0.00 C ATOM 886 C THR A 57 4.533 2.405 -4.909 1.00 0.00 C ATOM 887 O THR A 57 4.480 2.283 -6.134 1.00 0.00 O ATOM 888 CB THR A 57 6.168 4.104 -4.092 1.00 0.00 C ATOM 889 OG1 THR A 57 6.831 4.062 -5.361 1.00 0.00 O ATOM 890 CG2 THR A 57 6.825 3.120 -3.137 1.00 0.00 C ATOM 0 H THR A 57 4.377 3.281 -2.254 1.00 0.00 H new ATOM 0 HA THR A 57 4.220 4.529 -4.919 1.00 0.00 H new ATOM 0 HB THR A 57 6.254 5.106 -3.671 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.781 4.270 -5.241 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.881 3.368 -3.028 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.337 3.176 -2.164 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.729 2.109 -3.533 1.00 0.00 H new ATOM 898 N CYS A 58 4.474 1.373 -4.076 1.00 0.00 N ATOM 899 CA CYS A 58 4.341 0.004 -4.562 1.00 0.00 C ATOM 900 C CYS A 58 3.080 -0.153 -5.405 1.00 0.00 C ATOM 901 O CYS A 58 2.188 0.694 -5.369 1.00 0.00 O ATOM 902 CB CYS A 58 4.310 -0.976 -3.388 1.00 0.00 C ATOM 903 SG CYS A 58 5.944 -1.432 -2.764 1.00 0.00 S ATOM 0 H CYS A 58 4.516 1.458 -3.060 1.00 0.00 H new ATOM 0 HA CYS A 58 5.205 -0.219 -5.188 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.733 -0.535 -2.575 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.786 -1.880 -3.697 1.00 0.00 H new ATOM 0 HG CYS A 58 6.274 -0.637 -1.790 1.00 0.00 H new ATOM 909 N GLN A 59 3.014 -1.242 -6.165 1.00 0.00 N ATOM 910 CA GLN A 59 1.863 -1.508 -7.019 1.00 0.00 C ATOM 911 C GLN A 59 1.359 -2.935 -6.825 1.00 0.00 C ATOM 912 O GLN A 59 2.139 -3.887 -6.845 1.00 0.00 O ATOM 913 CB GLN A 59 2.226 -1.278 -8.487 1.00 0.00 C ATOM 914 CG GLN A 59 1.019 -1.068 -9.387 1.00 0.00 C ATOM 915 CD GLN A 59 1.371 -0.360 -10.680 1.00 0.00 C ATOM 916 OE1 GLN A 59 2.036 0.677 -10.672 1.00 0.00 O ATOM 917 NE2 GLN A 59 0.927 -0.917 -11.801 1.00 0.00 N ATOM 0 H GLN A 59 3.744 -1.953 -6.206 1.00 0.00 H new ATOM 0 HA GLN A 59 1.067 -0.819 -6.737 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.878 -0.408 -8.559 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.795 -2.134 -8.850 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.570 -2.034 -9.617 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.268 -0.487 -8.852 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.379 -1.777 -11.761 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.134 -0.485 -12.702 1.00 0.00 H new ATOM 926 N VAL A 60 0.051 -3.075 -6.637 1.00 0.00 N ATOM 927 CA VAL A 60 -0.557 -4.385 -6.440 1.00 0.00 C ATOM 928 C VAL A 60 -1.140 -4.922 -7.742 1.00 0.00 C ATOM 929 O VAL A 60 -2.215 -4.503 -8.173 1.00 0.00 O ATOM 930 CB VAL A 60 -1.668 -4.334 -5.375 1.00 0.00 C ATOM 931 CG1 VAL A 60 -2.328 -5.697 -5.226 1.00 0.00 C ATOM 932 CG2 VAL A 60 -1.109 -3.855 -4.044 1.00 0.00 C ATOM 0 H VAL A 60 -0.608 -2.297 -6.617 1.00 0.00 H new ATOM 0 HA VAL A 60 0.234 -5.052 -6.097 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.427 -3.623 -5.701 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.110 -5.642 -4.469 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.765 -5.996 -6.179 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.582 -6.431 -4.923 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.908 -3.825 -3.303 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.329 -4.539 -3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.688 -2.857 -4.164 1.00 0.00 H new ATOM 942 N LYS A 61 -0.425 -5.852 -8.365 1.00 0.00 N ATOM 943 CA LYS A 61 -0.871 -6.449 -9.618 1.00 0.00 C ATOM 944 C LYS A 61 -1.441 -7.845 -9.384 1.00 0.00 C ATOM 945 O LYS A 61 -0.713 -8.837 -9.329 1.00 0.00 O ATOM 946 CB LYS A 61 0.288 -6.521 -10.615 1.00 0.00 C ATOM 947 CG LYS A 61 -0.147 -6.391 -12.064 1.00 0.00 C ATOM 948 CD LYS A 61 0.844 -7.055 -13.005 1.00 0.00 C ATOM 949 CE LYS A 61 0.510 -8.524 -13.220 1.00 0.00 C ATOM 950 NZ LYS A 61 -0.711 -8.698 -14.053 1.00 0.00 N ATOM 0 H LYS A 61 0.467 -6.209 -8.022 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.658 -5.818 -10.031 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.002 -5.730 -10.387 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.810 -7.469 -10.485 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.130 -6.843 -12.192 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.245 -5.337 -12.322 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.841 -6.536 -13.964 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.851 -6.966 -12.597 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.352 -9.021 -13.701 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.363 -9.008 -12.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.739 -9.667 -14.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.556 -8.529 -13.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.693 -8.020 -14.841 1.00 0.00 H new ATOM 964 N PRO A 62 -2.772 -7.926 -9.243 1.00 0.00 N ATOM 965 CA PRO A 62 -3.468 -9.196 -9.015 1.00 0.00 C ATOM 966 C PRO A 62 -3.444 -10.099 -10.243 1.00 0.00 C ATOM 967 O PRO A 62 -3.710 -9.653 -11.358 1.00 0.00 O ATOM 968 CB PRO A 62 -4.901 -8.763 -8.697 1.00 0.00 C ATOM 969 CG PRO A 62 -5.053 -7.439 -9.363 1.00 0.00 C ATOM 970 CD PRO A 62 -3.701 -6.785 -9.297 1.00 0.00 C ATOM 0 HA PRO A 62 -3.000 -9.781 -8.224 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.626 -9.483 -9.077 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.062 -8.686 -7.622 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.379 -7.557 -10.396 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.805 -6.832 -8.858 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.516 -6.157 -10.168 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.606 -6.147 -8.418 1.00 0.00 H new ATOM 978 N ASN A 63 -3.124 -11.372 -10.030 1.00 0.00 N ATOM 979 CA ASN A 63 -3.066 -12.338 -11.121 1.00 0.00 C ATOM 980 C ASN A 63 -4.468 -12.753 -11.555 1.00 0.00 C ATOM 981 O ASN A 63 -5.204 -13.381 -10.795 1.00 0.00 O ATOM 982 CB ASN A 63 -2.266 -13.571 -10.695 1.00 0.00 C ATOM 983 CG ASN A 63 -0.783 -13.425 -10.980 1.00 0.00 C ATOM 984 OD1 ASN A 63 -0.180 -14.273 -11.637 1.00 0.00 O ATOM 985 ND2 ASN A 63 -0.190 -12.345 -10.486 1.00 0.00 N ATOM 0 H ASN A 63 -2.901 -11.758 -9.112 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.568 -11.864 -11.967 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.413 -13.746 -9.629 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.649 -14.448 -11.217 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.806 -12.192 -10.646 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.730 -11.668 -9.947 1.00 0.00 H new ATOM 992 N ALA A 64 -4.830 -12.398 -12.784 1.00 0.00 N ATOM 993 CA ALA A 64 -6.143 -12.736 -13.321 1.00 0.00 C ATOM 994 C ALA A 64 -6.164 -14.162 -13.862 1.00 0.00 C ATOM 995 O ALA A 64 -7.084 -14.928 -13.579 1.00 0.00 O ATOM 996 CB ALA A 64 -6.536 -11.750 -14.411 1.00 0.00 C ATOM 0 H ALA A 64 -4.233 -11.877 -13.426 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.868 -12.672 -12.510 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.518 -12.014 -14.803 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.570 -10.743 -13.996 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.802 -11.786 -15.216 1.00 0.00 H new ATOM 1002 N GLU A 65 -5.145 -14.509 -14.641 1.00 0.00 N ATOM 1003 CA GLU A 65 -5.049 -15.843 -15.223 1.00 0.00 C ATOM 1004 C GLU A 65 -5.387 -16.913 -14.188 1.00 0.00 C ATOM 1005 O GLU A 65 -6.047 -17.905 -14.498 1.00 0.00 O ATOM 1006 CB GLU A 65 -3.644 -16.082 -15.780 1.00 0.00 C ATOM 1007 CG GLU A 65 -3.454 -15.560 -17.194 1.00 0.00 C ATOM 1008 CD GLU A 65 -2.001 -15.273 -17.519 1.00 0.00 C ATOM 1009 OE1 GLU A 65 -1.351 -14.543 -16.741 1.00 0.00 O ATOM 1010 OE2 GLU A 65 -1.513 -15.779 -18.551 1.00 0.00 O ATOM 0 H GLU A 65 -4.375 -13.886 -14.884 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.770 -15.909 -16.038 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.916 -15.604 -15.124 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.433 -17.151 -15.765 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.843 -16.291 -17.903 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.038 -14.649 -17.323 1.00 0.00 H new ATOM 1017 N ASP A 66 -4.928 -16.704 -12.959 1.00 0.00 N ATOM 1018 CA ASP A 66 -5.181 -17.649 -11.878 1.00 0.00 C ATOM 1019 C ASP A 66 -5.756 -16.938 -10.657 1.00 0.00 C ATOM 1020 O ASP A 66 -5.580 -15.731 -10.488 1.00 0.00 O ATOM 1021 CB ASP A 66 -3.892 -18.379 -11.498 1.00 0.00 C ATOM 1022 CG ASP A 66 -3.603 -19.557 -12.408 1.00 0.00 C ATOM 1023 OD1 ASP A 66 -3.752 -19.406 -13.639 1.00 0.00 O ATOM 1024 OD2 ASP A 66 -3.227 -20.628 -11.889 1.00 0.00 O ATOM 0 H ASP A 66 -4.379 -15.889 -12.687 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.912 -18.377 -12.229 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.057 -17.680 -11.538 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.966 -18.729 -10.468 1.00 0.00 H new ATOM 1029 N LYS A 67 -6.446 -17.693 -9.809 1.00 0.00 N ATOM 1030 CA LYS A 67 -7.047 -17.136 -8.603 1.00 0.00 C ATOM 1031 C LYS A 67 -6.122 -17.310 -7.403 1.00 0.00 C ATOM 1032 O LYS A 67 -5.257 -18.186 -7.394 1.00 0.00 O ATOM 1033 CB LYS A 67 -8.394 -17.807 -8.323 1.00 0.00 C ATOM 1034 CG LYS A 67 -9.185 -17.143 -7.210 1.00 0.00 C ATOM 1035 CD LYS A 67 -9.792 -15.826 -7.665 1.00 0.00 C ATOM 1036 CE LYS A 67 -11.107 -16.042 -8.397 1.00 0.00 C ATOM 1037 NZ LYS A 67 -12.186 -16.496 -7.476 1.00 0.00 N ATOM 0 H LYS A 67 -6.603 -18.693 -9.935 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.205 -16.070 -8.766 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.990 -17.800 -9.235 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.223 -18.851 -8.062 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.977 -17.813 -6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.533 -16.968 -6.354 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.957 -15.182 -6.801 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.091 -15.308 -8.319 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.410 -15.114 -8.882 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.967 -16.782 -9.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.113 -16.327 -7.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.074 -17.512 -7.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.126 -15.967 -6.583 1.00 0.00 H new ATOM 1051 N LYS A 68 -6.310 -16.470 -6.390 1.00 0.00 N ATOM 1052 CA LYS A 68 -5.495 -16.532 -5.183 1.00 0.00 C ATOM 1053 C LYS A 68 -4.026 -16.272 -5.504 1.00 0.00 C ATOM 1054 O LYS A 68 -3.155 -17.073 -5.164 1.00 0.00 O ATOM 1055 CB LYS A 68 -5.646 -17.899 -4.510 1.00 0.00 C ATOM 1056 CG LYS A 68 -6.787 -17.961 -3.509 1.00 0.00 C ATOM 1057 CD LYS A 68 -7.218 -19.393 -3.243 1.00 0.00 C ATOM 1058 CE LYS A 68 -6.029 -20.279 -2.902 1.00 0.00 C ATOM 1059 NZ LYS A 68 -6.409 -21.717 -2.834 1.00 0.00 N ATOM 0 H LYS A 68 -7.020 -15.738 -6.382 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.843 -15.757 -4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.805 -18.657 -5.277 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.714 -18.150 -4.003 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.478 -17.494 -2.574 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.635 -17.389 -3.886 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.934 -19.412 -2.422 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.729 -19.789 -4.121 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.249 -20.145 -3.652 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.608 -19.969 -1.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.571 -22.287 -2.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.135 -21.850 -2.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.787 -22.020 -3.754 1.00 0.00 H new ATOM 1073 N SER A 69 -3.759 -15.147 -6.160 1.00 0.00 N ATOM 1074 CA SER A 69 -2.396 -14.783 -6.529 1.00 0.00 C ATOM 1075 C SER A 69 -2.299 -13.293 -6.844 1.00 0.00 C ATOM 1076 O SER A 69 -3.181 -12.724 -7.487 1.00 0.00 O ATOM 1077 CB SER A 69 -1.935 -15.603 -7.735 1.00 0.00 C ATOM 1078 OG SER A 69 -1.821 -16.976 -7.405 1.00 0.00 O ATOM 0 H SER A 69 -4.468 -14.472 -6.447 1.00 0.00 H new ATOM 0 HA SER A 69 -1.745 -15.001 -5.682 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.643 -15.480 -8.554 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.973 -15.229 -8.087 1.00 0.00 H new ATOM 0 HG SER A 69 -2.191 -17.129 -6.511 1.00 0.00 H new ATOM 1084 N PHE A 70 -1.219 -12.667 -6.387 1.00 0.00 N ATOM 1085 CA PHE A 70 -1.005 -11.244 -6.618 1.00 0.00 C ATOM 1086 C PHE A 70 0.480 -10.901 -6.563 1.00 0.00 C ATOM 1087 O PHE A 70 1.243 -11.517 -5.818 1.00 0.00 O ATOM 1088 CB PHE A 70 -1.770 -10.416 -5.583 1.00 0.00 C ATOM 1089 CG PHE A 70 -1.069 -10.317 -4.259 1.00 0.00 C ATOM 1090 CD1 PHE A 70 -0.060 -9.388 -4.062 1.00 0.00 C ATOM 1091 CD2 PHE A 70 -1.420 -11.152 -3.210 1.00 0.00 C ATOM 1092 CE1 PHE A 70 0.587 -9.296 -2.844 1.00 0.00 C ATOM 1093 CE2 PHE A 70 -0.777 -11.063 -1.990 1.00 0.00 C ATOM 1094 CZ PHE A 70 0.227 -10.133 -1.806 1.00 0.00 C ATOM 0 H PHE A 70 -0.479 -13.124 -5.854 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.379 -11.004 -7.613 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.928 -9.412 -5.977 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -2.755 -10.858 -5.432 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.224 -8.729 -4.869 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.205 -11.881 -3.348 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.374 -8.570 -2.704 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.060 -11.720 -1.181 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.730 -10.060 -0.853 1.00 0.00 H new ATOM 1104 N ASP A 71 0.884 -9.915 -7.357 1.00 0.00 N ATOM 1105 CA ASP A 71 2.278 -9.489 -7.399 1.00 0.00 C ATOM 1106 C ASP A 71 2.429 -8.070 -6.858 1.00 0.00 C ATOM 1107 O ASP A 71 1.578 -7.211 -7.093 1.00 0.00 O ATOM 1108 CB ASP A 71 2.813 -9.563 -8.829 1.00 0.00 C ATOM 1109 CG ASP A 71 3.424 -10.913 -9.150 1.00 0.00 C ATOM 1110 OD1 ASP A 71 2.722 -11.934 -8.993 1.00 0.00 O ATOM 1111 OD2 ASP A 71 4.604 -10.949 -9.557 1.00 0.00 O ATOM 0 H ASP A 71 0.266 -9.396 -7.980 1.00 0.00 H new ATOM 0 HA ASP A 71 2.858 -10.163 -6.768 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.002 -9.359 -9.528 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.562 -8.785 -8.974 1.00 0.00 H new ATOM 1116 N LEU A 72 3.516 -7.831 -6.134 1.00 0.00 N ATOM 1117 CA LEU A 72 3.779 -6.517 -5.559 1.00 0.00 C ATOM 1118 C LEU A 72 5.002 -5.874 -6.206 1.00 0.00 C ATOM 1119 O LEU A 72 6.140 -6.214 -5.880 1.00 0.00 O ATOM 1120 CB LEU A 72 3.989 -6.632 -4.048 1.00 0.00 C ATOM 1121 CG LEU A 72 3.934 -5.322 -3.261 1.00 0.00 C ATOM 1122 CD1 LEU A 72 2.555 -4.690 -3.373 1.00 0.00 C ATOM 1123 CD2 LEU A 72 4.297 -5.560 -1.803 1.00 0.00 C ATOM 0 H LEU A 72 4.230 -8.530 -5.931 1.00 0.00 H new ATOM 0 HA LEU A 72 2.913 -5.884 -5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.232 -7.306 -3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.958 -7.099 -3.871 1.00 0.00 H new ATOM 0 HG LEU A 72 4.663 -4.633 -3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.534 -3.759 -2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.334 -4.483 -4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.807 -5.375 -2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.253 -4.617 -1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.593 -6.266 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.306 -5.968 -1.741 1.00 0.00 H new ATOM 1135 N ILE A 73 4.759 -4.942 -7.122 1.00 0.00 N ATOM 1136 CA ILE A 73 5.841 -4.250 -7.811 1.00 0.00 C ATOM 1137 C ILE A 73 6.372 -3.090 -6.976 1.00 0.00 C ATOM 1138 O ILE A 73 5.817 -1.991 -6.998 1.00 0.00 O ATOM 1139 CB ILE A 73 5.383 -3.714 -9.181 1.00 0.00 C ATOM 1140 CG1 ILE A 73 5.160 -4.871 -10.157 1.00 0.00 C ATOM 1141 CG2 ILE A 73 6.407 -2.736 -9.736 1.00 0.00 C ATOM 1142 CD1 ILE A 73 4.092 -4.591 -11.192 1.00 0.00 C ATOM 0 H ILE A 73 3.823 -4.649 -7.404 1.00 0.00 H new ATOM 0 HA ILE A 73 6.637 -4.980 -7.962 1.00 0.00 H new ATOM 0 HB ILE A 73 4.438 -3.186 -9.051 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.098 -5.093 -10.666 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.884 -5.763 -9.594 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.069 -2.366 -10.704 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.521 -1.899 -9.047 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.365 -3.241 -9.855 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.988 -5.454 -11.850 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.143 -4.399 -10.692 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.376 -3.718 -11.780 1.00 0.00 H new ATOM 1154 N SER A 74 7.450 -3.342 -6.241 1.00 0.00 N ATOM 1155 CA SER A 74 8.056 -2.319 -5.397 1.00 0.00 C ATOM 1156 C SER A 74 9.091 -1.514 -6.176 1.00 0.00 C ATOM 1157 O SER A 74 9.262 -1.701 -7.381 1.00 0.00 O ATOM 1158 CB SER A 74 8.710 -2.961 -4.171 1.00 0.00 C ATOM 1159 OG SER A 74 9.641 -3.958 -4.554 1.00 0.00 O ATOM 0 H SER A 74 7.922 -4.246 -6.213 1.00 0.00 H new ATOM 0 HA SER A 74 7.268 -1.642 -5.067 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.214 -2.196 -3.581 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.943 -3.401 -3.534 1.00 0.00 H new ATOM 0 HG SER A 74 9.415 -4.803 -4.113 1.00 0.00 H new ATOM 1165 N HIS A 75 9.780 -0.615 -5.479 1.00 0.00 N ATOM 1166 CA HIS A 75 10.800 0.219 -6.105 1.00 0.00 C ATOM 1167 C HIS A 75 11.621 -0.586 -7.107 1.00 0.00 C ATOM 1168 O HIS A 75 12.494 -1.364 -6.726 1.00 0.00 O ATOM 1169 CB HIS A 75 11.719 0.822 -5.042 1.00 0.00 C ATOM 1170 CG HIS A 75 12.147 -0.160 -3.995 1.00 0.00 C ATOM 1171 ND1 HIS A 75 11.390 -0.449 -2.879 1.00 0.00 N ATOM 1172 CD2 HIS A 75 13.262 -0.922 -3.900 1.00 0.00 C ATOM 1173 CE1 HIS A 75 12.021 -1.346 -2.142 1.00 0.00 C ATOM 1174 NE2 HIS A 75 13.160 -1.650 -2.740 1.00 0.00 N ATOM 0 H HIS A 75 9.650 -0.446 -4.482 1.00 0.00 H new ATOM 0 HA HIS A 75 10.297 1.025 -6.639 1.00 0.00 H new ATOM 0 HB2 HIS A 75 12.604 1.231 -5.528 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.207 1.655 -4.560 1.00 0.00 H new ATOM 0 HD2 HIS A 75 14.079 -0.952 -4.605 1.00 0.00 H new ATOM 0 HE1 HIS A 75 11.667 -1.760 -1.210 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.851 -2.317 -2.396 1.00 0.00 H new ATOM 1183 N ASN A 76 11.334 -0.393 -8.391 1.00 0.00 N ATOM 1184 CA ASN A 76 12.045 -1.102 -9.448 1.00 0.00 C ATOM 1185 C ASN A 76 12.346 -2.539 -9.032 1.00 0.00 C ATOM 1186 O ASN A 76 13.422 -3.065 -9.314 1.00 0.00 O ATOM 1187 CB ASN A 76 13.347 -0.376 -9.791 1.00 0.00 C ATOM 1188 CG ASN A 76 14.073 -1.011 -10.962 1.00 0.00 C ATOM 1189 OD1 ASN A 76 13.571 -1.022 -12.086 1.00 0.00 O ATOM 1190 ND2 ASN A 76 15.260 -1.545 -10.702 1.00 0.00 N ATOM 0 H ASN A 76 10.614 0.248 -8.724 1.00 0.00 H new ATOM 0 HA ASN A 76 11.405 -1.124 -10.330 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.128 0.666 -10.025 1.00 0.00 H new ATOM 0 HB3 ASN A 76 14.001 -0.376 -8.919 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.795 -1.988 -11.449 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.637 -1.513 -9.755 1.00 0.00 H new ATOM 1197 N ARG A 77 11.386 -3.168 -8.361 1.00 0.00 N ATOM 1198 CA ARG A 77 11.548 -4.543 -7.906 1.00 0.00 C ATOM 1199 C ARG A 77 10.204 -5.265 -7.867 1.00 0.00 C ATOM 1200 O ARG A 77 9.208 -4.721 -7.390 1.00 0.00 O ATOM 1201 CB ARG A 77 12.194 -4.572 -6.519 1.00 0.00 C ATOM 1202 CG ARG A 77 12.583 -5.966 -6.056 1.00 0.00 C ATOM 1203 CD ARG A 77 13.676 -5.919 -5.000 1.00 0.00 C ATOM 1204 NE ARG A 77 14.114 -7.255 -4.606 1.00 0.00 N ATOM 1205 CZ ARG A 77 15.310 -7.513 -4.088 1.00 0.00 C ATOM 1206 NH1 ARG A 77 16.182 -6.531 -3.903 1.00 0.00 N ATOM 1207 NH2 ARG A 77 15.635 -8.755 -3.753 1.00 0.00 N ATOM 0 H ARG A 77 10.489 -2.747 -8.121 1.00 0.00 H new ATOM 0 HA ARG A 77 12.198 -5.058 -8.613 1.00 0.00 H new ATOM 0 HB2 ARG A 77 13.082 -3.941 -6.528 1.00 0.00 H new ATOM 0 HB3 ARG A 77 11.502 -4.138 -5.797 1.00 0.00 H new ATOM 0 HG2 ARG A 77 11.707 -6.474 -5.652 1.00 0.00 H new ATOM 0 HG3 ARG A 77 12.925 -6.551 -6.909 1.00 0.00 H new ATOM 0 HD2 ARG A 77 14.527 -5.357 -5.384 1.00 0.00 H new ATOM 0 HD3 ARG A 77 13.310 -5.384 -4.123 1.00 0.00 H new ATOM 0 HE ARG A 77 13.467 -8.033 -4.735 1.00 0.00 H new ATOM 0 HH11 ARG A 77 15.935 -5.575 -4.159 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.099 -6.732 -3.505 1.00 0.00 H new ATOM 0 HH21 ARG A 77 14.966 -9.513 -3.893 1.00 0.00 H new ATOM 0 HH22 ARG A 77 16.553 -8.952 -3.355 1.00 0.00 H new ATOM 1221 N THR A 78 10.184 -6.494 -8.374 1.00 0.00 N ATOM 1222 CA THR A 78 8.963 -7.290 -8.399 1.00 0.00 C ATOM 1223 C THR A 78 8.978 -8.354 -7.308 1.00 0.00 C ATOM 1224 O THR A 78 9.969 -9.062 -7.131 1.00 0.00 O ATOM 1225 CB THR A 78 8.767 -7.974 -9.765 1.00 0.00 C ATOM 1226 OG1 THR A 78 8.965 -7.027 -10.821 1.00 0.00 O ATOM 1227 CG2 THR A 78 7.375 -8.578 -9.873 1.00 0.00 C ATOM 0 H THR A 78 10.999 -6.959 -8.773 1.00 0.00 H new ATOM 0 HA THR A 78 8.135 -6.604 -8.222 1.00 0.00 H new ATOM 0 HB THR A 78 9.501 -8.775 -9.854 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.840 -7.471 -11.686 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.260 -9.055 -10.846 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.238 -9.320 -9.086 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.628 -7.792 -9.764 1.00 0.00 H new ATOM 1235 N TYR A 79 7.873 -8.462 -6.579 1.00 0.00 N ATOM 1236 CA TYR A 79 7.759 -9.439 -5.503 1.00 0.00 C ATOM 1237 C TYR A 79 6.723 -10.506 -5.843 1.00 0.00 C ATOM 1238 O TYR A 79 5.882 -10.314 -6.721 1.00 0.00 O ATOM 1239 CB TYR A 79 7.381 -8.745 -4.193 1.00 0.00 C ATOM 1240 CG TYR A 79 8.562 -8.146 -3.462 1.00 0.00 C ATOM 1241 CD1 TYR A 79 9.296 -7.108 -4.022 1.00 0.00 C ATOM 1242 CD2 TYR A 79 8.944 -8.619 -2.213 1.00 0.00 C ATOM 1243 CE1 TYR A 79 10.376 -6.557 -3.359 1.00 0.00 C ATOM 1244 CE2 TYR A 79 10.022 -8.074 -1.542 1.00 0.00 C ATOM 1245 CZ TYR A 79 10.734 -7.044 -2.119 1.00 0.00 C ATOM 1246 OH TYR A 79 11.809 -6.499 -1.454 1.00 0.00 O ATOM 0 H TYR A 79 7.043 -7.885 -6.714 1.00 0.00 H new ATOM 0 HA TYR A 79 8.728 -9.924 -5.383 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.658 -7.957 -4.404 1.00 0.00 H new ATOM 0 HB3 TYR A 79 6.887 -9.464 -3.540 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.018 -6.725 -4.993 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.389 -9.426 -1.759 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.936 -5.750 -3.809 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.305 -8.453 -0.571 1.00 0.00 H new ATOM 0 HH TYR A 79 11.927 -6.954 -0.594 1.00 0.00 H new ATOM 1256 N HIS A 80 6.791 -11.633 -5.140 1.00 0.00 N ATOM 1257 CA HIS A 80 5.859 -12.732 -5.366 1.00 0.00 C ATOM 1258 C HIS A 80 5.039 -13.015 -4.111 1.00 0.00 C ATOM 1259 O HIS A 80 5.591 -13.249 -3.036 1.00 0.00 O ATOM 1260 CB HIS A 80 6.616 -13.991 -5.790 1.00 0.00 C ATOM 1261 CG HIS A 80 7.539 -13.774 -6.949 1.00 0.00 C ATOM 1262 ND1 HIS A 80 7.144 -13.164 -8.121 1.00 0.00 N ATOM 1263 CD2 HIS A 80 8.845 -14.087 -7.111 1.00 0.00 C ATOM 1264 CE1 HIS A 80 8.168 -13.113 -8.955 1.00 0.00 C ATOM 1265 NE2 HIS A 80 9.213 -13.667 -8.366 1.00 0.00 N ATOM 0 H HIS A 80 7.481 -11.809 -4.410 1.00 0.00 H new ATOM 0 HA HIS A 80 5.178 -12.440 -6.165 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.192 -14.361 -4.942 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.896 -14.767 -6.050 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.480 -14.576 -6.388 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.153 -12.690 -9.949 1.00 0.00 H new ATOM 0 HE2 HIS A 80 10.142 -13.767 -8.776 1.00 0.00 H new ATOM 1274 N PHE A 81 3.718 -12.991 -4.256 1.00 0.00 N ATOM 1275 CA PHE A 81 2.822 -13.243 -3.134 1.00 0.00 C ATOM 1276 C PHE A 81 1.648 -14.120 -3.561 1.00 0.00 C ATOM 1277 O PHE A 81 1.222 -14.083 -4.715 1.00 0.00 O ATOM 1278 CB PHE A 81 2.303 -11.923 -2.560 1.00 0.00 C ATOM 1279 CG PHE A 81 3.356 -11.128 -1.841 1.00 0.00 C ATOM 1280 CD1 PHE A 81 3.737 -11.464 -0.552 1.00 0.00 C ATOM 1281 CD2 PHE A 81 3.964 -10.044 -2.455 1.00 0.00 C ATOM 1282 CE1 PHE A 81 4.704 -10.733 0.112 1.00 0.00 C ATOM 1283 CE2 PHE A 81 4.932 -9.310 -1.796 1.00 0.00 C ATOM 1284 CZ PHE A 81 5.303 -9.656 -0.511 1.00 0.00 C ATOM 0 H PHE A 81 3.245 -12.800 -5.139 1.00 0.00 H new ATOM 0 HA PHE A 81 3.386 -13.769 -2.364 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.893 -11.320 -3.370 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.484 -12.132 -1.872 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.273 -12.307 -0.061 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.678 -9.770 -3.460 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.991 -11.004 1.117 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.398 -8.467 -2.285 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.060 -9.085 0.006 1.00 0.00 H new ATOM 1294 N GLN A 82 1.133 -14.908 -2.623 1.00 0.00 N ATOM 1295 CA GLN A 82 0.010 -15.795 -2.903 1.00 0.00 C ATOM 1296 C GLN A 82 -0.842 -16.004 -1.655 1.00 0.00 C ATOM 1297 O GLN A 82 -0.319 -16.141 -0.550 1.00 0.00 O ATOM 1298 CB GLN A 82 0.515 -17.142 -3.422 1.00 0.00 C ATOM 1299 CG GLN A 82 -0.552 -17.957 -4.135 1.00 0.00 C ATOM 1300 CD GLN A 82 -0.019 -19.270 -4.676 1.00 0.00 C ATOM 1301 OE1 GLN A 82 -0.079 -20.301 -4.006 1.00 0.00 O ATOM 1302 NE2 GLN A 82 0.506 -19.238 -5.895 1.00 0.00 N ATOM 0 H GLN A 82 1.475 -14.950 -1.663 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.609 -15.327 -3.669 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.347 -16.970 -4.105 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.905 -17.722 -2.585 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.371 -18.159 -3.445 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.964 -17.370 -4.956 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.535 -18.361 -6.415 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.880 -20.091 -6.312 1.00 0.00 H new ATOM 1311 N ALA A 83 -2.158 -16.027 -1.841 1.00 0.00 N ATOM 1312 CA ALA A 83 -3.083 -16.222 -0.731 1.00 0.00 C ATOM 1313 C ALA A 83 -3.307 -17.705 -0.457 1.00 0.00 C ATOM 1314 O ALA A 83 -3.196 -18.535 -1.358 1.00 0.00 O ATOM 1315 CB ALA A 83 -4.407 -15.530 -1.020 1.00 0.00 C ATOM 0 H ALA A 83 -2.607 -15.913 -2.750 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.641 -15.778 0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.088 -15.684 -0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.237 -14.462 -1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.846 -15.948 -1.926 1.00 0.00 H new ATOM 1321 N GLU A 84 -3.622 -18.029 0.794 1.00 0.00 N ATOM 1322 CA GLU A 84 -3.860 -19.414 1.186 1.00 0.00 C ATOM 1323 C GLU A 84 -5.265 -19.858 0.788 1.00 0.00 C ATOM 1324 O GLU A 84 -5.499 -21.034 0.508 1.00 0.00 O ATOM 1325 CB GLU A 84 -3.669 -19.580 2.695 1.00 0.00 C ATOM 1326 CG GLU A 84 -2.246 -19.319 3.160 1.00 0.00 C ATOM 1327 CD GLU A 84 -2.040 -19.657 4.624 1.00 0.00 C ATOM 1328 OE1 GLU A 84 -2.827 -19.170 5.462 1.00 0.00 O ATOM 1329 OE2 GLU A 84 -1.091 -20.408 4.931 1.00 0.00 O ATOM 0 H GLU A 84 -3.718 -17.353 1.552 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.138 -20.042 0.664 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.343 -18.899 3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.956 -20.592 2.980 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.556 -19.907 2.555 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.000 -18.270 2.995 1.00 0.00 H new ATOM 1336 N ASP A 85 -6.195 -18.910 0.766 1.00 0.00 N ATOM 1337 CA ASP A 85 -7.576 -19.202 0.402 1.00 0.00 C ATOM 1338 C ASP A 85 -8.157 -18.090 -0.466 1.00 0.00 C ATOM 1339 O ASP A 85 -7.545 -17.034 -0.628 1.00 0.00 O ATOM 1340 CB ASP A 85 -8.429 -19.383 1.659 1.00 0.00 C ATOM 1341 CG ASP A 85 -7.828 -20.382 2.628 1.00 0.00 C ATOM 1342 OD1 ASP A 85 -7.716 -21.571 2.261 1.00 0.00 O ATOM 1343 OD2 ASP A 85 -7.470 -19.976 3.752 1.00 0.00 O ATOM 0 H ASP A 85 -6.017 -17.932 0.996 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.586 -20.129 -0.172 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.544 -18.421 2.158 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.427 -19.714 1.373 1.00 0.00 H new ATOM 1348 N GLU A 86 -9.339 -18.335 -1.021 1.00 0.00 N ATOM 1349 CA GLU A 86 -10.000 -17.355 -1.874 1.00 0.00 C ATOM 1350 C GLU A 86 -10.397 -16.117 -1.074 1.00 0.00 C ATOM 1351 O GLU A 86 -10.200 -14.988 -1.522 1.00 0.00 O ATOM 1352 CB GLU A 86 -11.238 -17.969 -2.531 1.00 0.00 C ATOM 1353 CG GLU A 86 -11.573 -17.365 -3.884 1.00 0.00 C ATOM 1354 CD GLU A 86 -13.053 -17.437 -4.205 1.00 0.00 C ATOM 1355 OE1 GLU A 86 -13.533 -18.537 -4.548 1.00 0.00 O ATOM 1356 OE2 GLU A 86 -13.731 -16.392 -4.113 1.00 0.00 O ATOM 0 H GLU A 86 -9.859 -19.204 -0.895 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.297 -17.055 -2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.081 -19.041 -2.650 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.092 -17.844 -1.865 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.251 -16.324 -3.902 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.011 -17.886 -4.659 1.00 0.00 H new ATOM 1363 N GLN A 87 -10.956 -16.340 0.111 1.00 0.00 N ATOM 1364 CA GLN A 87 -11.382 -15.243 0.973 1.00 0.00 C ATOM 1365 C GLN A 87 -10.200 -14.353 1.343 1.00 0.00 C ATOM 1366 O GLN A 87 -10.303 -13.126 1.319 1.00 0.00 O ATOM 1367 CB GLN A 87 -12.041 -15.789 2.240 1.00 0.00 C ATOM 1368 CG GLN A 87 -13.421 -16.381 2.001 1.00 0.00 C ATOM 1369 CD GLN A 87 -14.232 -16.505 3.276 1.00 0.00 C ATOM 1370 OE1 GLN A 87 -14.670 -15.505 3.846 1.00 0.00 O ATOM 1371 NE2 GLN A 87 -14.437 -17.736 3.731 1.00 0.00 N ATOM 0 H GLN A 87 -11.124 -17.269 0.496 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.108 -14.643 0.425 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -11.397 -16.554 2.674 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.121 -14.986 2.973 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.962 -15.756 1.290 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.316 -17.365 1.545 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -14.055 -18.536 3.227 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.976 -17.881 4.585 1.00 0.00 H new ATOM 1380 N ASP A 88 -9.080 -14.978 1.687 1.00 0.00 N ATOM 1381 CA ASP A 88 -7.878 -14.241 2.062 1.00 0.00 C ATOM 1382 C ASP A 88 -7.424 -13.328 0.928 1.00 0.00 C ATOM 1383 O ASP A 88 -7.027 -12.185 1.158 1.00 0.00 O ATOM 1384 CB ASP A 88 -6.755 -15.211 2.434 1.00 0.00 C ATOM 1385 CG ASP A 88 -5.754 -14.598 3.393 1.00 0.00 C ATOM 1386 OD1 ASP A 88 -6.169 -13.777 4.237 1.00 0.00 O ATOM 1387 OD2 ASP A 88 -4.556 -14.939 3.299 1.00 0.00 O ATOM 0 H ASP A 88 -8.979 -15.993 1.714 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.116 -13.623 2.928 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.186 -16.105 2.885 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.238 -15.529 1.528 1.00 0.00 H new ATOM 1392 N TYR A 89 -7.483 -13.840 -0.296 1.00 0.00 N ATOM 1393 CA TYR A 89 -7.074 -13.072 -1.466 1.00 0.00 C ATOM 1394 C TYR A 89 -7.970 -11.852 -1.657 1.00 0.00 C ATOM 1395 O TYR A 89 -7.506 -10.712 -1.613 1.00 0.00 O ATOM 1396 CB TYR A 89 -7.115 -13.949 -2.719 1.00 0.00 C ATOM 1397 CG TYR A 89 -7.056 -13.165 -4.010 1.00 0.00 C ATOM 1398 CD1 TYR A 89 -5.874 -12.564 -4.427 1.00 0.00 C ATOM 1399 CD2 TYR A 89 -8.181 -13.024 -4.813 1.00 0.00 C ATOM 1400 CE1 TYR A 89 -5.815 -11.846 -5.605 1.00 0.00 C ATOM 1401 CE2 TYR A 89 -8.131 -12.309 -5.994 1.00 0.00 C ATOM 1402 CZ TYR A 89 -6.946 -11.722 -6.386 1.00 0.00 C ATOM 1403 OH TYR A 89 -6.892 -11.008 -7.561 1.00 0.00 O ATOM 0 H TYR A 89 -7.810 -14.784 -0.504 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.052 -12.729 -1.304 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.279 -14.648 -2.690 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.029 -14.543 -2.706 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.986 -12.660 -3.819 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.111 -13.481 -4.509 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.889 -11.384 -5.913 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -9.015 -12.210 -6.607 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.773 -11.019 -7.991 1.00 0.00 H new ATOM 1413 N VAL A 90 -9.259 -12.100 -1.870 1.00 0.00 N ATOM 1414 CA VAL A 90 -10.222 -11.023 -2.066 1.00 0.00 C ATOM 1415 C VAL A 90 -10.008 -9.903 -1.055 1.00 0.00 C ATOM 1416 O VAL A 90 -9.976 -8.726 -1.414 1.00 0.00 O ATOM 1417 CB VAL A 90 -11.669 -11.536 -1.949 1.00 0.00 C ATOM 1418 CG1 VAL A 90 -12.656 -10.385 -2.069 1.00 0.00 C ATOM 1419 CG2 VAL A 90 -11.945 -12.598 -3.003 1.00 0.00 C ATOM 0 H VAL A 90 -9.660 -13.037 -1.911 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.062 -10.635 -3.072 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.796 -11.990 -0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.673 -10.768 -1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.472 -9.663 -1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.531 -9.898 -3.036 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.972 -12.949 -2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.800 -12.172 -3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.261 -13.435 -2.864 1.00 0.00 H new ATOM 1429 N ALA A 91 -9.861 -10.277 0.212 1.00 0.00 N ATOM 1430 CA ALA A 91 -9.648 -9.304 1.276 1.00 0.00 C ATOM 1431 C ALA A 91 -8.314 -8.585 1.103 1.00 0.00 C ATOM 1432 O ALA A 91 -8.277 -7.383 0.838 1.00 0.00 O ATOM 1433 CB ALA A 91 -9.708 -9.986 2.635 1.00 0.00 C ATOM 0 H ALA A 91 -9.886 -11.247 0.526 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.443 -8.561 1.219 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.547 -9.247 3.420 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.686 -10.449 2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.934 -10.751 2.693 1.00 0.00 H new ATOM 1439 N TRP A 92 -7.223 -9.327 1.254 1.00 0.00 N ATOM 1440 CA TRP A 92 -5.887 -8.758 1.115 1.00 0.00 C ATOM 1441 C TRP A 92 -5.865 -7.678 0.039 1.00 0.00 C ATOM 1442 O TRP A 92 -5.574 -6.515 0.320 1.00 0.00 O ATOM 1443 CB TRP A 92 -4.877 -9.855 0.775 1.00 0.00 C ATOM 1444 CG TRP A 92 -4.275 -10.504 1.985 1.00 0.00 C ATOM 1445 CD1 TRP A 92 -4.386 -11.814 2.353 1.00 0.00 C ATOM 1446 CD2 TRP A 92 -3.471 -9.871 2.986 1.00 0.00 C ATOM 1447 NE1 TRP A 92 -3.699 -12.034 3.522 1.00 0.00 N ATOM 1448 CE2 TRP A 92 -3.128 -10.858 3.931 1.00 0.00 C ATOM 1449 CE3 TRP A 92 -3.006 -8.567 3.176 1.00 0.00 C ATOM 1450 CZ2 TRP A 92 -2.344 -10.579 5.047 1.00 0.00 C ATOM 1451 CZ3 TRP A 92 -2.228 -8.292 4.284 1.00 0.00 C ATOM 1452 CH2 TRP A 92 -1.902 -9.294 5.208 1.00 0.00 C ATOM 0 H TRP A 92 -7.237 -10.323 1.473 1.00 0.00 H new ATOM 0 HA TRP A 92 -5.612 -8.302 2.066 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -5.369 -10.617 0.170 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -4.080 -9.429 0.166 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -4.934 -12.567 1.805 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -3.626 -12.928 4.007 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -3.251 -7.788 2.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.093 -11.350 5.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -1.865 -7.287 4.441 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -1.290 -9.047 6.063 1.00 0.00 H new ATOM 1463 N ILE A 93 -6.173 -8.070 -1.193 1.00 0.00 N ATOM 1464 CA ILE A 93 -6.189 -7.134 -2.310 1.00 0.00 C ATOM 1465 C ILE A 93 -6.956 -5.865 -1.953 1.00 0.00 C ATOM 1466 O ILE A 93 -6.493 -4.754 -2.212 1.00 0.00 O ATOM 1467 CB ILE A 93 -6.820 -7.766 -3.565 1.00 0.00 C ATOM 1468 CG1 ILE A 93 -5.962 -8.931 -4.062 1.00 0.00 C ATOM 1469 CG2 ILE A 93 -6.987 -6.720 -4.657 1.00 0.00 C ATOM 1470 CD1 ILE A 93 -4.552 -8.528 -4.432 1.00 0.00 C ATOM 0 H ILE A 93 -6.415 -9.029 -1.442 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.151 -6.880 -2.524 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.806 -8.151 -3.304 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.921 -9.697 -3.288 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.443 -9.381 -4.931 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -7.434 -7.181 -5.538 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.634 -5.920 -4.298 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.012 -6.308 -4.919 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.002 -9.404 -4.776 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.583 -7.784 -5.228 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.054 -8.105 -3.560 1.00 0.00 H new ATOM 1482 N SER A 94 -8.130 -6.039 -1.355 1.00 0.00 N ATOM 1483 CA SER A 94 -8.963 -4.907 -0.964 1.00 0.00 C ATOM 1484 C SER A 94 -8.204 -3.973 -0.026 1.00 0.00 C ATOM 1485 O SER A 94 -8.295 -2.751 -0.142 1.00 0.00 O ATOM 1486 CB SER A 94 -10.243 -5.400 -0.286 1.00 0.00 C ATOM 1487 OG SER A 94 -11.313 -4.495 -0.497 1.00 0.00 O ATOM 0 H SER A 94 -8.526 -6.952 -1.131 1.00 0.00 H new ATOM 0 HA SER A 94 -9.227 -4.353 -1.865 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.510 -6.382 -0.677 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.069 -5.519 0.783 1.00 0.00 H new ATOM 0 HG SER A 94 -12.155 -4.915 -0.224 1.00 0.00 H new ATOM 1493 N VAL A 95 -7.456 -4.558 0.904 1.00 0.00 N ATOM 1494 CA VAL A 95 -6.680 -3.779 1.862 1.00 0.00 C ATOM 1495 C VAL A 95 -5.480 -3.121 1.192 1.00 0.00 C ATOM 1496 O VAL A 95 -5.443 -1.902 1.017 1.00 0.00 O ATOM 1497 CB VAL A 95 -6.186 -4.656 3.028 1.00 0.00 C ATOM 1498 CG1 VAL A 95 -6.107 -3.843 4.311 1.00 0.00 C ATOM 1499 CG2 VAL A 95 -7.093 -5.864 3.208 1.00 0.00 C ATOM 0 H VAL A 95 -7.371 -5.568 1.014 1.00 0.00 H new ATOM 0 HA VAL A 95 -7.343 -3.007 2.253 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.184 -5.015 2.791 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.756 -4.479 5.124 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.413 -3.014 4.174 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.095 -3.453 4.556 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.729 -6.472 4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.108 -5.528 3.423 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.093 -6.458 2.294 1.00 0.00 H new ATOM 1509 N LEU A 96 -4.499 -3.935 0.816 1.00 0.00 N ATOM 1510 CA LEU A 96 -3.296 -3.432 0.163 1.00 0.00 C ATOM 1511 C LEU A 96 -3.616 -2.227 -0.716 1.00 0.00 C ATOM 1512 O LEU A 96 -2.909 -1.219 -0.690 1.00 0.00 O ATOM 1513 CB LEU A 96 -2.650 -4.534 -0.678 1.00 0.00 C ATOM 1514 CG LEU A 96 -2.270 -5.813 0.069 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -2.216 -6.994 -0.888 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -0.936 -5.639 0.780 1.00 0.00 C ATOM 0 H LEU A 96 -4.514 -4.946 0.952 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.597 -3.117 0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.335 -4.798 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.752 -4.129 -1.144 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.035 -6.014 0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.944 -7.895 -0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.193 -7.132 -1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.472 -6.802 -1.661 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.681 -6.559 1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.160 -5.413 0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.009 -4.820 1.496 1.00 0.00 H new ATOM 1528 N THR A 97 -4.689 -2.337 -1.493 1.00 0.00 N ATOM 1529 CA THR A 97 -5.105 -1.257 -2.380 1.00 0.00 C ATOM 1530 C THR A 97 -5.799 -0.144 -1.603 1.00 0.00 C ATOM 1531 O THR A 97 -5.523 1.036 -1.812 1.00 0.00 O ATOM 1532 CB THR A 97 -6.053 -1.767 -3.481 1.00 0.00 C ATOM 1533 OG1 THR A 97 -5.558 -2.996 -4.024 1.00 0.00 O ATOM 1534 CG2 THR A 97 -6.197 -0.738 -4.591 1.00 0.00 C ATOM 0 H THR A 97 -5.286 -3.163 -1.526 1.00 0.00 H new ATOM 0 HA THR A 97 -4.201 -0.863 -2.844 1.00 0.00 H new ATOM 0 HB THR A 97 -7.033 -1.936 -3.035 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.040 -3.749 -3.623 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.871 -1.121 -5.357 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.603 0.186 -4.180 1.00 0.00 H new ATOM 0 HG23 THR A 97 -5.220 -0.541 -5.033 1.00 0.00 H new ATOM 1542 N ASN A 98 -6.700 -0.529 -0.705 1.00 0.00 N ATOM 1543 CA ASN A 98 -7.433 0.438 0.104 1.00 0.00 C ATOM 1544 C ASN A 98 -6.475 1.365 0.846 1.00 0.00 C ATOM 1545 O ASN A 98 -6.394 2.557 0.548 1.00 0.00 O ATOM 1546 CB ASN A 98 -8.338 -0.285 1.105 1.00 0.00 C ATOM 1547 CG ASN A 98 -9.678 -0.662 0.505 1.00 0.00 C ATOM 1548 OD1 ASN A 98 -10.099 -0.099 -0.506 1.00 0.00 O ATOM 1549 ND2 ASN A 98 -10.356 -1.620 1.127 1.00 0.00 N ATOM 0 H ASN A 98 -6.940 -1.503 -0.519 1.00 0.00 H new ATOM 0 HA ASN A 98 -8.049 1.040 -0.564 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -7.836 -1.185 1.460 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.499 0.354 1.973 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.264 -1.917 0.770 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -9.969 -2.059 1.962 1.00 0.00 H new ATOM 1556 N SER A 99 -5.751 0.810 1.812 1.00 0.00 N ATOM 1557 CA SER A 99 -4.800 1.587 2.598 1.00 0.00 C ATOM 1558 C SER A 99 -4.089 2.618 1.726 1.00 0.00 C ATOM 1559 O SER A 99 -3.953 3.781 2.105 1.00 0.00 O ATOM 1560 CB SER A 99 -3.774 0.663 3.255 1.00 0.00 C ATOM 1561 OG SER A 99 -3.266 1.232 4.450 1.00 0.00 O ATOM 0 H SER A 99 -5.805 -0.176 2.069 1.00 0.00 H new ATOM 0 HA SER A 99 -5.353 2.114 3.375 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.235 -0.300 3.475 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.954 0.473 2.562 1.00 0.00 H new ATOM 0 HG SER A 99 -3.601 0.728 5.221 1.00 0.00 H new ATOM 1567 N LYS A 100 -3.637 2.182 0.556 1.00 0.00 N ATOM 1568 CA LYS A 100 -2.940 3.065 -0.373 1.00 0.00 C ATOM 1569 C LYS A 100 -3.798 4.277 -0.718 1.00 0.00 C ATOM 1570 O LYS A 100 -3.358 5.418 -0.584 1.00 0.00 O ATOM 1571 CB LYS A 100 -2.572 2.307 -1.650 1.00 0.00 C ATOM 1572 CG LYS A 100 -2.102 3.209 -2.779 1.00 0.00 C ATOM 1573 CD LYS A 100 -2.111 2.482 -4.113 1.00 0.00 C ATOM 1574 CE LYS A 100 -0.791 1.771 -4.369 1.00 0.00 C ATOM 1575 NZ LYS A 100 -0.892 0.802 -5.495 1.00 0.00 N ATOM 0 H LYS A 100 -3.741 1.222 0.228 1.00 0.00 H new ATOM 0 HA LYS A 100 -2.028 3.414 0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.787 1.586 -1.421 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.438 1.738 -1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.746 4.086 -2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.095 3.567 -2.565 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.925 1.757 -4.128 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.304 3.194 -4.915 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.019 2.508 -4.592 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.480 1.247 -3.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.317 -0.038 -5.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.885 0.519 -5.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.545 1.247 -6.368 1.00 0.00 H new ATOM 1589 N GLU A 101 -5.025 4.022 -1.162 1.00 0.00 N ATOM 1590 CA GLU A 101 -5.944 5.094 -1.525 1.00 0.00 C ATOM 1591 C GLU A 101 -6.290 5.950 -0.310 1.00 0.00 C ATOM 1592 O GLU A 101 -6.578 7.139 -0.438 1.00 0.00 O ATOM 1593 CB GLU A 101 -7.222 4.515 -2.135 1.00 0.00 C ATOM 1594 CG GLU A 101 -6.972 3.618 -3.335 1.00 0.00 C ATOM 1595 CD GLU A 101 -6.176 4.310 -4.425 1.00 0.00 C ATOM 1596 OE1 GLU A 101 -4.932 4.337 -4.324 1.00 0.00 O ATOM 1597 OE2 GLU A 101 -6.797 4.824 -5.378 1.00 0.00 O ATOM 0 H GLU A 101 -5.405 3.083 -1.279 1.00 0.00 H new ATOM 0 HA GLU A 101 -5.451 5.726 -2.264 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.754 3.947 -1.372 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -7.875 5.335 -2.435 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -6.437 2.725 -3.011 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -7.928 3.288 -3.742 1.00 0.00 H new ATOM 1604 N GLU A 102 -6.258 5.334 0.868 1.00 0.00 N ATOM 1605 CA GLU A 102 -6.569 6.039 2.106 1.00 0.00 C ATOM 1606 C GLU A 102 -5.404 6.926 2.535 1.00 0.00 C ATOM 1607 O GLU A 102 -5.603 7.999 3.104 1.00 0.00 O ATOM 1608 CB GLU A 102 -6.901 5.042 3.218 1.00 0.00 C ATOM 1609 CG GLU A 102 -7.987 4.048 2.839 1.00 0.00 C ATOM 1610 CD GLU A 102 -9.381 4.570 3.124 1.00 0.00 C ATOM 1611 OE1 GLU A 102 -9.758 4.639 4.313 1.00 0.00 O ATOM 1612 OE2 GLU A 102 -10.097 4.910 2.158 1.00 0.00 O ATOM 0 H GLU A 102 -6.020 4.350 0.991 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.438 6.672 1.924 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.997 4.495 3.486 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.216 5.591 4.105 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.902 3.810 1.779 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.832 3.119 3.388 1.00 0.00 H new ATOM 1619 N ALA A 103 -4.187 6.469 2.258 1.00 0.00 N ATOM 1620 CA ALA A 103 -2.990 7.220 2.613 1.00 0.00 C ATOM 1621 C ALA A 103 -2.687 8.294 1.574 1.00 0.00 C ATOM 1622 O ALA A 103 -2.055 9.307 1.879 1.00 0.00 O ATOM 1623 CB ALA A 103 -1.803 6.280 2.765 1.00 0.00 C ATOM 0 H ALA A 103 -4.005 5.582 1.789 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.172 7.716 3.567 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.916 6.855 3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.013 5.553 3.550 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.629 5.758 1.824 1.00 0.00 H new ATOM 1629 N LEU A 104 -3.141 8.068 0.346 1.00 0.00 N ATOM 1630 CA LEU A 104 -2.918 9.017 -0.739 1.00 0.00 C ATOM 1631 C LEU A 104 -3.975 10.117 -0.726 1.00 0.00 C ATOM 1632 O LEU A 104 -3.651 11.303 -0.670 1.00 0.00 O ATOM 1633 CB LEU A 104 -2.934 8.293 -2.087 1.00 0.00 C ATOM 1634 CG LEU A 104 -1.649 7.559 -2.470 1.00 0.00 C ATOM 1635 CD1 LEU A 104 -1.916 6.566 -3.590 1.00 0.00 C ATOM 1636 CD2 LEU A 104 -0.570 8.551 -2.880 1.00 0.00 C ATOM 0 H LEU A 104 -3.666 7.236 0.077 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.941 9.477 -0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.752 7.573 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.158 9.022 -2.866 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.295 7.007 -1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.990 6.053 -3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.655 5.836 -3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.294 7.096 -4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.338 8.011 -3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.915 9.130 -3.736 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.359 9.223 -2.048 1.00 0.00 H new ATOM 1648 N THR A 105 -5.241 9.714 -0.777 1.00 0.00 N ATOM 1649 CA THR A 105 -6.346 10.665 -0.770 1.00 0.00 C ATOM 1650 C THR A 105 -6.175 11.698 0.338 1.00 0.00 C ATOM 1651 O THR A 105 -6.684 12.814 0.241 1.00 0.00 O ATOM 1652 CB THR A 105 -7.699 9.952 -0.588 1.00 0.00 C ATOM 1653 OG1 THR A 105 -8.764 10.805 -1.020 1.00 0.00 O ATOM 1654 CG2 THR A 105 -7.914 9.561 0.867 1.00 0.00 C ATOM 0 H THR A 105 -5.526 8.736 -0.824 1.00 0.00 H new ATOM 0 HA THR A 105 -6.336 11.169 -1.737 1.00 0.00 H new ATOM 0 HB THR A 105 -7.691 9.046 -1.194 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.621 10.344 -0.902 1.00 0.00 H new ATOM 0 HG21 THR A 105 -8.876 9.059 0.971 1.00 0.00 H new ATOM 0 HG22 THR A 105 -7.118 8.888 1.184 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.903 10.456 1.490 1.00 0.00 H new