USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 835 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 64 ASN :FLIP amide:sc= -5.1! C(o=-29!,f=-16!) USER MOD Set 1.2: A 66 HIS :FLIP no HD1:sc= -10.9! C(o=-26!,f=-16!) USER MOD Set 2.1: A 49 GLN :FLIP amide:sc= -1.79 F(o=-9!,f=-4.9) USER MOD Set 2.2: A 56 HIS : no HE2:sc= -3.16 K(o=-4.9,f=-13!) USER MOD Set 3.1: A 19 THR OG1 : rot 73:sc= 0.00987 USER MOD Set 3.2: A 36 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 15 GLN : amide:sc= -0.292 X(o=-0.29,f=0) USER MOD Single : A 23 MET CE :methyl -145:sc= -0.0876 (180deg=-0.136) USER MOD Single : A 25 MET CE :methyl -144:sc= -0.19 (180deg=-2.72) USER MOD Single : A 26 LYS NZ :NH3+ 152:sc= 1.05 (180deg=0.342) USER MOD Single : A 33 CYS SG : rot 100:sc= -6.93! USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.0542 K(o=-0.054,f=-1.9!) USER MOD Single : A 43 GLN :FLIP amide:sc= -2.96! C(o=-3.5!,f=-3!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -2.54 K(o=-2.5,f=-7.3!) USER MOD Single : A 53 LYS NZ :NH3+ -164:sc= -0.0351 (180deg=-0.402) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.288 F(o=-3.2!,f=-0.29) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot 146:sc= -3.81! USER MOD Single : A 71 GLN : amide:sc= -7.11! C(o=-7.1!,f=-13!) USER MOD Single : A 83 SER OG : rot 150:sc= -0.431 USER MOD Single : A 84 ASN :FLIP amide:sc= -3.26 F(o=-6.4!,f=-3.3) USER MOD Single : A 85 SER OG : rot 65:sc= 0.0961 USER MOD Single : A 88 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0181) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 108 HIS : no HE2:sc= -0.651 X(o=-0.65,f=-0.33) USER MOD Single : A 111 LYS NZ :NH3+ -162:sc= -0.0524 (180deg=-0.45) USER MOD Single : A 114 SER OG : rot -22:sc= 0.331 USER MOD Single : A 120 GLN : amide:sc= -2.02! C(o=-2!,f=-2!) USER MOD Single : A 121 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.111) USER MOD Single : A 123 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.61) USER MOD Single : A 124 SER OG : rot -47:sc= 0.361 USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 9 -1.797 1.776 15.078 1.00 1.00 N ATOM 108 CA PRO A 9 -0.689 2.607 14.505 1.00 1.00 C ATOM 109 C PRO A 9 -1.190 3.572 13.426 1.00 1.00 C ATOM 110 O PRO A 9 -0.651 4.666 13.254 1.00 1.00 O ATOM 111 CB PRO A 9 0.281 1.565 13.917 1.00 1.00 C ATOM 112 CG PRO A 9 -0.549 0.340 13.696 1.00 1.00 C ATOM 113 CD PRO A 9 -1.601 0.344 14.801 1.00 1.00 C ATOM 0 HA PRO A 9 -0.224 3.247 15.255 1.00 1.00 H new ATOM 0 HB2 PRO A 9 0.720 1.918 12.983 1.00 1.00 H new ATOM 0 HB3 PRO A 9 1.106 1.364 14.601 1.00 1.00 H new ATOM 0 HG2 PRO A 9 -1.016 0.357 12.711 1.00 1.00 H new ATOM 0 HG3 PRO A 9 0.063 -0.561 13.743 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -2.526 -0.133 14.477 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -1.258 -0.193 15.685 1.00 1.00 H new ATOM 121 N LEU A 10 -2.225 3.153 12.706 1.00 1.00 N ATOM 122 CA LEU A 10 -2.802 3.974 11.647 1.00 1.00 C ATOM 123 C LEU A 10 -3.451 5.224 12.253 1.00 1.00 C ATOM 124 O LEU A 10 -4.017 5.152 13.346 1.00 1.00 O ATOM 125 CB LEU A 10 -3.858 3.163 10.888 1.00 1.00 C ATOM 126 CG LEU A 10 -3.238 1.863 10.336 1.00 1.00 C ATOM 127 CD1 LEU A 10 -4.347 0.847 10.049 1.00 1.00 C ATOM 128 CD2 LEU A 10 -2.476 2.151 9.036 1.00 1.00 C ATOM 0 H LEU A 10 -2.682 2.250 12.836 1.00 1.00 H new ATOM 0 HA LEU A 10 -2.014 4.278 10.959 1.00 1.00 H new ATOM 0 HB2 LEU A 10 -4.690 2.925 11.551 1.00 1.00 H new ATOM 0 HB3 LEU A 10 -4.264 3.757 10.069 1.00 1.00 H new ATOM 0 HG LEU A 10 -2.548 1.461 11.078 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -3.907 -0.071 9.659 1.00 1.00 H new ATOM 0 HD12 LEU A 10 -4.887 0.628 10.970 1.00 1.00 H new ATOM 0 HD13 LEU A 10 -5.037 1.260 9.313 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -2.043 1.226 8.656 1.00 1.00 H new ATOM 0 HD22 LEU A 10 -3.162 2.562 8.295 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -1.681 2.870 9.232 1.00 1.00 H new ATOM 140 N PRO A 11 -3.394 6.360 11.594 1.00 1.00 N ATOM 141 CA PRO A 11 -4.003 7.609 12.132 1.00 1.00 C ATOM 142 C PRO A 11 -5.526 7.507 12.193 1.00 1.00 C ATOM 143 O PRO A 11 -6.158 6.921 11.314 1.00 1.00 O ATOM 144 CB PRO A 11 -3.536 8.705 11.159 1.00 1.00 C ATOM 145 CG PRO A 11 -3.240 7.985 9.882 1.00 1.00 C ATOM 146 CD PRO A 11 -2.764 6.585 10.281 1.00 1.00 C ATOM 0 HA PRO A 11 -3.697 7.816 13.157 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -4.308 9.462 11.016 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -2.652 9.219 11.537 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -4.128 7.929 9.252 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -2.474 8.508 9.309 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -3.075 5.835 9.554 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -1.677 6.535 10.345 1.00 1.00 H new ATOM 154 N VAL A 12 -6.097 8.077 13.243 1.00 1.00 N ATOM 155 CA VAL A 12 -7.541 8.045 13.430 1.00 1.00 C ATOM 156 C VAL A 12 -8.247 8.964 12.441 1.00 1.00 C ATOM 157 O VAL A 12 -9.367 8.684 12.014 1.00 1.00 O ATOM 158 CB VAL A 12 -7.892 8.457 14.861 1.00 1.00 C ATOM 159 CG1 VAL A 12 -7.451 9.902 15.096 1.00 1.00 C ATOM 160 CG2 VAL A 12 -9.405 8.343 15.068 1.00 1.00 C ATOM 0 H VAL A 12 -5.585 8.566 13.977 1.00 1.00 H new ATOM 0 HA VAL A 12 -7.881 7.025 13.250 1.00 1.00 H new ATOM 0 HB VAL A 12 -7.380 7.802 15.565 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -7.700 10.197 16.115 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -6.374 9.982 14.948 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -7.964 10.558 14.392 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -9.656 8.636 16.087 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -9.919 8.998 14.365 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -9.719 7.313 14.899 1.00 1.00 H new ATOM 170 N GLY A 13 -7.594 10.063 12.087 1.00 1.00 N ATOM 171 CA GLY A 13 -8.184 11.017 11.157 1.00 1.00 C ATOM 172 C GLY A 13 -8.453 10.372 9.802 1.00 1.00 C ATOM 173 O GLY A 13 -9.456 10.670 9.151 1.00 1.00 O ATOM 0 H GLY A 13 -6.665 10.315 12.425 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -9.116 11.403 11.570 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -7.514 11.868 11.031 1.00 1.00 H new ATOM 177 N ALA A 14 -7.552 9.495 9.379 1.00 1.00 N ATOM 178 CA ALA A 14 -7.705 8.821 8.093 1.00 1.00 C ATOM 179 C ALA A 14 -8.737 7.707 8.178 1.00 1.00 C ATOM 180 O ALA A 14 -8.842 7.015 9.192 1.00 1.00 O ATOM 181 CB ALA A 14 -6.366 8.238 7.638 1.00 1.00 C ATOM 0 H ALA A 14 -6.715 9.234 9.900 1.00 1.00 H new ATOM 0 HA ALA A 14 -8.047 9.560 7.368 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -6.494 7.738 6.678 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -5.636 9.041 7.535 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -6.012 7.519 8.377 1.00 1.00 H new ATOM 187 N GLN A 15 -9.483 7.524 7.094 1.00 1.00 N ATOM 188 CA GLN A 15 -10.499 6.472 7.034 1.00 1.00 C ATOM 189 C GLN A 15 -9.900 5.243 6.344 1.00 1.00 C ATOM 190 O GLN A 15 -9.685 5.283 5.139 1.00 1.00 O ATOM 191 CB GLN A 15 -11.715 6.958 6.230 1.00 1.00 C ATOM 192 CG GLN A 15 -12.114 8.392 6.651 1.00 1.00 C ATOM 193 CD GLN A 15 -13.627 8.580 6.534 1.00 1.00 C ATOM 194 OE1 GLN A 15 -14.228 9.316 7.319 1.00 1.00 O ATOM 195 NE2 GLN A 15 -14.279 7.953 5.595 1.00 1.00 N ATOM 0 H GLN A 15 -9.406 8.086 6.247 1.00 1.00 H new ATOM 0 HA GLN A 15 -10.818 6.220 8.045 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -11.484 6.938 5.165 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -12.555 6.281 6.387 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -11.796 8.578 7.677 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -11.601 9.119 6.021 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -13.780 7.344 4.946 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -15.288 8.071 5.509 1.00 1.00 H new ATOM 204 N PRO A 16 -9.597 4.167 7.051 1.00 1.00 N ATOM 205 CA PRO A 16 -8.971 2.967 6.416 1.00 1.00 C ATOM 206 C PRO A 16 -9.966 2.142 5.604 1.00 1.00 C ATOM 207 O PRO A 16 -10.765 1.385 6.158 1.00 1.00 O ATOM 208 CB PRO A 16 -8.427 2.181 7.618 1.00 1.00 C ATOM 209 CG PRO A 16 -9.362 2.511 8.736 1.00 1.00 C ATOM 210 CD PRO A 16 -9.818 3.958 8.500 1.00 1.00 C ATOM 0 HA PRO A 16 -8.202 3.235 5.691 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -8.411 1.110 7.417 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -7.405 2.476 7.855 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -10.214 1.831 8.745 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -8.865 2.412 9.701 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -10.865 4.096 8.769 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -9.240 4.662 9.098 1.00 1.00 H new ATOM 218 N LEU A 17 -9.899 2.292 4.284 1.00 1.00 N ATOM 219 CA LEU A 17 -10.786 1.554 3.391 1.00 1.00 C ATOM 220 C LEU A 17 -10.481 0.069 3.463 1.00 1.00 C ATOM 221 O LEU A 17 -11.384 -0.767 3.509 1.00 1.00 O ATOM 222 CB LEU A 17 -10.581 2.010 1.946 1.00 1.00 C ATOM 223 CG LEU A 17 -10.901 3.497 1.804 1.00 1.00 C ATOM 224 CD1 LEU A 17 -10.669 3.924 0.348 1.00 1.00 C ATOM 225 CD2 LEU A 17 -12.363 3.768 2.198 1.00 1.00 C ATOM 0 H LEU A 17 -9.243 2.914 3.811 1.00 1.00 H new ATOM 0 HA LEU A 17 -11.813 1.744 3.702 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -9.551 1.823 1.642 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -11.220 1.429 1.281 1.00 1.00 H new ATOM 0 HG LEU A 17 -10.250 4.069 2.465 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -10.896 4.985 0.239 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -9.628 3.746 0.078 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -11.318 3.345 -0.309 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -12.577 4.831 2.092 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -13.027 3.198 1.548 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -12.523 3.467 3.233 1.00 1.00 H new ATOM 237 N ALA A 18 -9.190 -0.248 3.453 1.00 1.00 N ATOM 238 CA ALA A 18 -8.744 -1.636 3.498 1.00 1.00 C ATOM 239 C ALA A 18 -7.373 -1.728 4.149 1.00 1.00 C ATOM 240 O ALA A 18 -6.603 -0.770 4.121 1.00 1.00 O ATOM 241 CB ALA A 18 -8.672 -2.205 2.078 1.00 1.00 C ATOM 0 H ALA A 18 -8.435 0.437 3.414 1.00 1.00 H new ATOM 0 HA ALA A 18 -9.458 -2.213 4.086 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -8.338 -3.242 2.118 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -9.659 -2.159 1.617 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -7.968 -1.620 1.487 1.00 1.00 H new ATOM 247 N THR A 19 -7.069 -2.883 4.734 1.00 1.00 N ATOM 248 CA THR A 19 -5.776 -3.082 5.386 1.00 1.00 C ATOM 249 C THR A 19 -5.277 -4.503 5.160 1.00 1.00 C ATOM 250 O THR A 19 -6.026 -5.466 5.320 1.00 1.00 O ATOM 251 CB THR A 19 -5.898 -2.790 6.885 1.00 1.00 C ATOM 252 OG1 THR A 19 -4.722 -3.220 7.550 1.00 1.00 O ATOM 253 CG2 THR A 19 -7.113 -3.521 7.458 1.00 1.00 C ATOM 0 H THR A 19 -7.693 -3.689 4.771 1.00 1.00 H new ATOM 0 HA THR A 19 -5.053 -2.393 4.950 1.00 1.00 H new ATOM 0 HB THR A 19 -6.025 -1.718 7.034 1.00 1.00 H new ATOM 0 HG1 THR A 19 -3.987 -2.606 7.344 1.00 1.00 H new ATOM 0 HG21 THR A 19 -7.195 -3.310 8.524 1.00 1.00 H new ATOM 0 HG22 THR A 19 -8.015 -3.180 6.950 1.00 1.00 H new ATOM 0 HG23 THR A 19 -6.996 -4.594 7.309 1.00 1.00 H new ATOM 261 N VAL A 20 -4.009 -4.628 4.767 1.00 1.00 N ATOM 262 CA VAL A 20 -3.424 -5.944 4.504 1.00 1.00 C ATOM 263 C VAL A 20 -1.979 -6.004 4.977 1.00 1.00 C ATOM 264 O VAL A 20 -1.279 -4.993 4.999 1.00 1.00 O ATOM 265 CB VAL A 20 -3.480 -6.235 3.000 1.00 1.00 C ATOM 266 CG1 VAL A 20 -2.946 -5.023 2.236 1.00 1.00 C ATOM 267 CG2 VAL A 20 -2.633 -7.476 2.661 1.00 1.00 C ATOM 0 H VAL A 20 -3.373 -3.844 4.625 1.00 1.00 H new ATOM 0 HA VAL A 20 -3.997 -6.692 5.052 1.00 1.00 H new ATOM 0 HB VAL A 20 -4.513 -6.430 2.711 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -2.983 -5.223 1.165 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -3.559 -4.151 2.464 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -1.915 -4.830 2.534 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -2.683 -7.669 1.589 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -1.597 -7.299 2.950 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -3.019 -8.339 3.204 1.00 1.00 H new ATOM 277 N GLU A 21 -1.534 -7.210 5.326 1.00 1.00 N ATOM 278 CA GLU A 21 -0.155 -7.422 5.766 1.00 1.00 C ATOM 279 C GLU A 21 0.613 -8.159 4.678 1.00 1.00 C ATOM 280 O GLU A 21 0.229 -9.255 4.268 1.00 1.00 O ATOM 281 CB GLU A 21 -0.126 -8.242 7.057 1.00 1.00 C ATOM 282 CG GLU A 21 -0.702 -7.408 8.201 1.00 1.00 C ATOM 283 CD GLU A 21 -0.740 -8.234 9.483 1.00 1.00 C ATOM 284 OE1 GLU A 21 -0.363 -9.394 9.429 1.00 1.00 O ATOM 285 OE2 GLU A 21 -1.145 -7.695 10.500 1.00 1.00 O ATOM 0 H GLU A 21 -2.107 -8.054 5.313 1.00 1.00 H new ATOM 0 HA GLU A 21 0.309 -6.454 5.956 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -0.705 -9.157 6.932 1.00 1.00 H new ATOM 0 HB3 GLU A 21 0.897 -8.540 7.289 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -0.095 -6.515 8.352 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -1.707 -7.071 7.946 1.00 1.00 H new ATOM 292 N GLY A 22 1.694 -7.548 4.206 1.00 1.00 N ATOM 293 CA GLY A 22 2.517 -8.146 3.156 1.00 1.00 C ATOM 294 C GLY A 22 3.979 -8.151 3.558 1.00 1.00 C ATOM 295 O GLY A 22 4.310 -8.071 4.743 1.00 1.00 O ATOM 0 H GLY A 22 2.022 -6.639 4.532 1.00 1.00 H new ATOM 0 HA2 GLY A 22 2.184 -9.166 2.963 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.392 -7.589 2.228 1.00 1.00 H new ATOM 299 N MET A 23 4.852 -8.249 2.564 1.00 1.00 N ATOM 300 CA MET A 23 6.295 -8.266 2.807 1.00 1.00 C ATOM 301 C MET A 23 7.005 -7.278 1.893 1.00 1.00 C ATOM 302 O MET A 23 6.783 -7.260 0.683 1.00 1.00 O ATOM 303 CB MET A 23 6.841 -9.675 2.565 1.00 1.00 C ATOM 304 CG MET A 23 6.219 -10.650 3.572 1.00 1.00 C ATOM 305 SD MET A 23 4.546 -11.079 3.030 1.00 1.00 S ATOM 306 CE MET A 23 3.836 -11.352 4.671 1.00 1.00 C ATOM 0 H MET A 23 4.590 -8.318 1.581 1.00 1.00 H new ATOM 0 HA MET A 23 6.477 -7.975 3.842 1.00 1.00 H new ATOM 0 HB2 MET A 23 6.614 -9.994 1.548 1.00 1.00 H new ATOM 0 HB3 MET A 23 7.926 -9.677 2.665 1.00 1.00 H new ATOM 0 HG2 MET A 23 6.830 -11.549 3.651 1.00 1.00 H new ATOM 0 HG3 MET A 23 6.188 -10.197 4.563 1.00 1.00 H new ATOM 0 HE1 MET A 23 3.106 -12.160 4.622 1.00 1.00 H new ATOM 0 HE2 MET A 23 4.628 -11.621 5.370 1.00 1.00 H new ATOM 0 HE3 MET A 23 3.346 -10.440 5.012 1.00 1.00 H new ATOM 316 N GLU A 24 7.869 -6.462 2.487 1.00 1.00 N ATOM 317 CA GLU A 24 8.630 -5.464 1.731 1.00 1.00 C ATOM 318 C GLU A 24 9.964 -6.045 1.287 1.00 1.00 C ATOM 319 O GLU A 24 10.736 -6.557 2.099 1.00 1.00 O ATOM 320 CB GLU A 24 8.853 -4.206 2.593 1.00 1.00 C ATOM 321 CG GLU A 24 9.882 -3.269 1.938 1.00 1.00 C ATOM 322 CD GLU A 24 9.444 -2.930 0.520 1.00 1.00 C ATOM 323 OE1 GLU A 24 8.248 -2.882 0.290 1.00 1.00 O ATOM 324 OE2 GLU A 24 10.307 -2.715 -0.313 1.00 1.00 O ATOM 0 H GLU A 24 8.062 -6.469 3.488 1.00 1.00 H new ATOM 0 HA GLU A 24 8.061 -5.185 0.844 1.00 1.00 H new ATOM 0 HB2 GLU A 24 7.908 -3.679 2.726 1.00 1.00 H new ATOM 0 HB3 GLU A 24 9.199 -4.496 3.585 1.00 1.00 H new ATOM 0 HG2 GLU A 24 9.981 -2.356 2.525 1.00 1.00 H new ATOM 0 HG3 GLU A 24 10.862 -3.746 1.921 1.00 1.00 H new ATOM 331 N MET A 25 10.229 -5.956 -0.016 1.00 1.00 N ATOM 332 CA MET A 25 11.485 -6.465 -0.581 1.00 1.00 C ATOM 333 C MET A 25 12.336 -5.320 -1.116 1.00 1.00 C ATOM 334 O MET A 25 11.837 -4.431 -1.804 1.00 1.00 O ATOM 335 CB MET A 25 11.198 -7.442 -1.729 1.00 1.00 C ATOM 336 CG MET A 25 10.519 -8.691 -1.187 1.00 1.00 C ATOM 337 SD MET A 25 10.213 -9.840 -2.554 1.00 1.00 S ATOM 338 CE MET A 25 8.927 -8.885 -3.401 1.00 1.00 C ATOM 0 H MET A 25 9.597 -5.539 -0.699 1.00 1.00 H new ATOM 0 HA MET A 25 12.024 -6.979 0.215 1.00 1.00 H new ATOM 0 HB2 MET A 25 10.561 -6.965 -2.474 1.00 1.00 H new ATOM 0 HB3 MET A 25 12.128 -7.711 -2.230 1.00 1.00 H new ATOM 0 HG2 MET A 25 11.148 -9.163 -0.432 1.00 1.00 H new ATOM 0 HG3 MET A 25 9.580 -8.427 -0.700 1.00 1.00 H new ATOM 0 HE1 MET A 25 8.186 -9.565 -3.821 1.00 1.00 H new ATOM 0 HE2 MET A 25 8.443 -8.216 -2.690 1.00 1.00 H new ATOM 0 HE3 MET A 25 9.377 -8.299 -4.202 1.00 1.00 H new ATOM 348 N LYS A 26 13.630 -5.359 -0.815 1.00 1.00 N ATOM 349 CA LYS A 26 14.559 -4.334 -1.292 1.00 1.00 C ATOM 350 C LYS A 26 15.889 -4.966 -1.674 1.00 1.00 C ATOM 351 O LYS A 26 16.299 -5.974 -1.101 1.00 1.00 O ATOM 352 CB LYS A 26 14.792 -3.268 -0.220 1.00 1.00 C ATOM 353 CG LYS A 26 13.500 -2.494 0.021 1.00 1.00 C ATOM 354 CD LYS A 26 13.737 -1.380 1.054 1.00 1.00 C ATOM 355 CE LYS A 26 13.902 -1.972 2.461 1.00 1.00 C ATOM 356 NZ LYS A 26 13.764 -0.880 3.471 1.00 1.00 N ATOM 0 H LYS A 26 14.061 -6.086 -0.244 1.00 1.00 H new ATOM 0 HA LYS A 26 14.116 -3.861 -2.168 1.00 1.00 H new ATOM 0 HB2 LYS A 26 15.126 -3.736 0.706 1.00 1.00 H new ATOM 0 HB3 LYS A 26 15.582 -2.587 -0.536 1.00 1.00 H new ATOM 0 HG2 LYS A 26 13.145 -2.063 -0.915 1.00 1.00 H new ATOM 0 HG3 LYS A 26 12.722 -3.170 0.376 1.00 1.00 H new ATOM 0 HD2 LYS A 26 14.628 -0.812 0.786 1.00 1.00 H new ATOM 0 HD3 LYS A 26 12.899 -0.683 1.043 1.00 1.00 H new ATOM 0 HE2 LYS A 26 13.151 -2.742 2.635 1.00 1.00 H new ATOM 0 HE3 LYS A 26 14.877 -2.450 2.556 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 13.405 -1.276 4.363 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 14.692 -0.440 3.636 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 13.099 -0.163 3.118 1.00 1.00 H new ATOM 370 N GLY A 27 16.553 -4.364 -2.649 1.00 1.00 N ATOM 371 CA GLY A 27 17.843 -4.860 -3.121 1.00 1.00 C ATOM 372 C GLY A 27 18.709 -5.427 -1.992 1.00 1.00 C ATOM 373 O GLY A 27 19.027 -6.616 -1.989 1.00 1.00 O ATOM 0 H GLY A 27 16.221 -3.529 -3.132 1.00 1.00 H new ATOM 0 HA2 GLY A 27 17.678 -5.634 -3.870 1.00 1.00 H new ATOM 0 HA3 GLY A 27 18.381 -4.050 -3.614 1.00 1.00 H new ATOM 377 N PRO A 28 19.125 -4.602 -1.059 1.00 1.00 N ATOM 378 CA PRO A 28 20.012 -5.033 0.075 1.00 1.00 C ATOM 379 C PRO A 28 19.400 -6.126 0.966 1.00 1.00 C ATOM 380 O PRO A 28 20.125 -6.973 1.490 1.00 1.00 O ATOM 381 CB PRO A 28 20.265 -3.725 0.857 1.00 1.00 C ATOM 382 CG PRO A 28 19.147 -2.812 0.468 1.00 1.00 C ATOM 383 CD PRO A 28 18.802 -3.166 -0.976 1.00 1.00 C ATOM 0 HA PRO A 28 20.925 -5.501 -0.292 1.00 1.00 H new ATOM 0 HB2 PRO A 28 20.271 -3.904 1.932 1.00 1.00 H new ATOM 0 HB3 PRO A 28 21.233 -3.294 0.600 1.00 1.00 H new ATOM 0 HG2 PRO A 28 18.285 -2.950 1.121 1.00 1.00 H new ATOM 0 HG3 PRO A 28 19.448 -1.768 0.553 1.00 1.00 H new ATOM 0 HD2 PRO A 28 17.752 -2.976 -1.197 1.00 1.00 H new ATOM 0 HD3 PRO A 28 19.387 -2.580 -1.685 1.00 1.00 H new ATOM 391 N LEU A 29 18.078 -6.114 1.131 1.00 1.00 N ATOM 392 CA LEU A 29 17.406 -7.125 1.958 1.00 1.00 C ATOM 393 C LEU A 29 15.902 -6.871 2.002 1.00 1.00 C ATOM 394 O LEU A 29 15.420 -5.898 1.432 1.00 1.00 O ATOM 395 CB LEU A 29 17.968 -7.125 3.394 1.00 1.00 C ATOM 396 CG LEU A 29 18.142 -5.689 3.927 1.00 1.00 C ATOM 397 CD1 LEU A 29 16.786 -4.970 3.996 1.00 1.00 C ATOM 398 CD2 LEU A 29 18.760 -5.752 5.333 1.00 1.00 C ATOM 0 H LEU A 29 17.454 -5.426 0.710 1.00 1.00 H new ATOM 0 HA LEU A 29 17.593 -8.099 1.506 1.00 1.00 H new ATOM 0 HB2 LEU A 29 17.297 -7.680 4.050 1.00 1.00 H new ATOM 0 HB3 LEU A 29 18.928 -7.640 3.411 1.00 1.00 H new ATOM 0 HG LEU A 29 18.794 -5.134 3.252 1.00 1.00 H new ATOM 0 HD11 LEU A 29 16.930 -3.958 4.375 1.00 1.00 H new ATOM 0 HD12 LEU A 29 16.347 -4.926 3.000 1.00 1.00 H new ATOM 0 HD13 LEU A 29 16.118 -5.516 4.663 1.00 1.00 H new ATOM 0 HD21 LEU A 29 18.888 -4.741 5.720 1.00 1.00 H new ATOM 0 HD22 LEU A 29 18.101 -6.314 5.995 1.00 1.00 H new ATOM 0 HD23 LEU A 29 19.730 -6.246 5.282 1.00 1.00 H new ATOM 410 N ARG A 30 15.156 -7.748 2.687 1.00 1.00 N ATOM 411 CA ARG A 30 13.705 -7.595 2.800 1.00 1.00 C ATOM 412 C ARG A 30 13.290 -7.511 4.263 1.00 1.00 C ATOM 413 O ARG A 30 14.090 -7.762 5.166 1.00 1.00 O ATOM 414 CB ARG A 30 12.986 -8.766 2.125 1.00 1.00 C ATOM 415 CG ARG A 30 13.410 -10.089 2.762 1.00 1.00 C ATOM 416 CD ARG A 30 12.560 -11.207 2.170 1.00 1.00 C ATOM 417 NE ARG A 30 12.815 -11.346 0.738 1.00 1.00 N ATOM 418 CZ ARG A 30 12.092 -12.171 -0.022 1.00 1.00 C ATOM 419 NH1 ARG A 30 11.194 -12.950 0.522 1.00 1.00 N ATOM 420 NH2 ARG A 30 12.297 -12.215 -1.310 1.00 1.00 N ATOM 0 H ARG A 30 15.533 -8.565 3.167 1.00 1.00 H new ATOM 0 HA ARG A 30 13.422 -6.670 2.297 1.00 1.00 H new ATOM 0 HB2 ARG A 30 11.907 -8.640 2.216 1.00 1.00 H new ATOM 0 HB3 ARG A 30 13.217 -8.777 1.060 1.00 1.00 H new ATOM 0 HG2 ARG A 30 14.467 -10.278 2.575 1.00 1.00 H new ATOM 0 HG3 ARG A 30 13.280 -10.047 3.843 1.00 1.00 H new ATOM 0 HD2 ARG A 30 12.781 -12.146 2.677 1.00 1.00 H new ATOM 0 HD3 ARG A 30 11.504 -10.996 2.338 1.00 1.00 H new ATOM 0 HE ARG A 30 13.563 -10.800 0.310 1.00 1.00 H new ATOM 0 HH11 ARG A 30 11.044 -12.929 1.531 1.00 1.00 H new ATOM 0 HH12 ARG A 30 10.643 -13.579 -0.062 1.00 1.00 H new ATOM 0 HH21 ARG A 30 13.009 -11.620 -1.734 1.00 1.00 H new ATOM 0 HH22 ARG A 30 11.746 -12.845 -1.893 1.00 1.00 H new ATOM 434 N GLU A 31 12.035 -7.151 4.489 1.00 1.00 N ATOM 435 CA GLU A 31 11.514 -7.026 5.845 1.00 1.00 C ATOM 436 C GLU A 31 9.984 -7.062 5.815 1.00 1.00 C ATOM 437 O GLU A 31 9.384 -6.528 4.882 1.00 1.00 O ATOM 438 CB GLU A 31 11.978 -5.696 6.450 1.00 1.00 C ATOM 439 CG GLU A 31 11.338 -4.535 5.684 1.00 1.00 C ATOM 440 CD GLU A 31 12.057 -3.231 6.012 1.00 1.00 C ATOM 441 OE1 GLU A 31 11.783 -2.673 7.063 1.00 1.00 O ATOM 442 OE2 GLU A 31 12.871 -2.808 5.208 1.00 1.00 O ATOM 0 H GLU A 31 11.359 -6.941 3.754 1.00 1.00 H new ATOM 0 HA GLU A 31 11.884 -7.853 6.450 1.00 1.00 H new ATOM 0 HB2 GLU A 31 11.701 -5.647 7.503 1.00 1.00 H new ATOM 0 HB3 GLU A 31 13.064 -5.622 6.402 1.00 1.00 H new ATOM 0 HG2 GLU A 31 11.386 -4.726 4.612 1.00 1.00 H new ATOM 0 HG3 GLU A 31 10.283 -4.454 5.946 1.00 1.00 H new ATOM 449 N PRO A 32 9.317 -7.649 6.790 1.00 1.00 N ATOM 450 CA PRO A 32 7.825 -7.682 6.784 1.00 1.00 C ATOM 451 C PRO A 32 7.236 -6.273 6.725 1.00 1.00 C ATOM 452 O PRO A 32 7.814 -5.326 7.260 1.00 1.00 O ATOM 453 CB PRO A 32 7.449 -8.391 8.101 1.00 1.00 C ATOM 454 CG PRO A 32 8.679 -9.132 8.519 1.00 1.00 C ATOM 455 CD PRO A 32 9.870 -8.337 7.980 1.00 1.00 C ATOM 0 HA PRO A 32 7.430 -8.199 5.910 1.00 1.00 H new ATOM 0 HB2 PRO A 32 7.146 -7.672 8.862 1.00 1.00 H new ATOM 0 HB3 PRO A 32 6.611 -9.072 7.955 1.00 1.00 H new ATOM 0 HG2 PRO A 32 8.730 -9.218 9.604 1.00 1.00 H new ATOM 0 HG3 PRO A 32 8.676 -10.146 8.118 1.00 1.00 H new ATOM 0 HD2 PRO A 32 10.244 -7.626 8.717 1.00 1.00 H new ATOM 0 HD3 PRO A 32 10.702 -8.990 7.716 1.00 1.00 H new ATOM 463 N CYS A 33 6.093 -6.135 6.062 1.00 1.00 N ATOM 464 CA CYS A 33 5.447 -4.832 5.933 1.00 1.00 C ATOM 465 C CYS A 33 3.944 -5.000 5.755 1.00 1.00 C ATOM 466 O CYS A 33 3.434 -6.117 5.765 1.00 1.00 O ATOM 467 CB CYS A 33 6.027 -4.087 4.731 1.00 1.00 C ATOM 468 SG CYS A 33 5.626 -4.993 3.218 1.00 1.00 S ATOM 0 H CYS A 33 5.597 -6.902 5.608 1.00 1.00 H new ATOM 0 HA CYS A 33 5.631 -4.258 6.841 1.00 1.00 H new ATOM 0 HB2 CYS A 33 5.620 -3.077 4.683 1.00 1.00 H new ATOM 0 HB3 CYS A 33 7.108 -3.990 4.835 1.00 1.00 H new ATOM 0 HG CYS A 33 4.606 -4.436 2.636 1.00 1.00 H new ATOM 474 N ALA A 34 3.242 -3.884 5.589 1.00 1.00 N ATOM 475 CA ALA A 34 1.792 -3.918 5.405 1.00 1.00 C ATOM 476 C ALA A 34 1.327 -2.722 4.590 1.00 1.00 C ATOM 477 O ALA A 34 1.883 -1.626 4.700 1.00 1.00 O ATOM 478 CB ALA A 34 1.088 -3.919 6.764 1.00 1.00 C ATOM 0 H ALA A 34 3.649 -2.949 5.578 1.00 1.00 H new ATOM 0 HA ALA A 34 1.537 -4.831 4.866 1.00 1.00 H new ATOM 0 HB1 ALA A 34 0.009 -3.944 6.615 1.00 1.00 H new ATOM 0 HB2 ALA A 34 1.396 -4.796 7.333 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.357 -3.017 7.314 1.00 1.00 H new ATOM 484 N LEU A 35 0.301 -2.937 3.767 1.00 1.00 N ATOM 485 CA LEU A 35 -0.243 -1.870 2.925 1.00 1.00 C ATOM 486 C LEU A 35 -1.671 -1.550 3.337 1.00 1.00 C ATOM 487 O LEU A 35 -2.560 -2.397 3.239 1.00 1.00 O ATOM 488 CB LEU A 35 -0.215 -2.306 1.459 1.00 1.00 C ATOM 489 CG LEU A 35 1.193 -2.789 1.085 1.00 1.00 C ATOM 490 CD1 LEU A 35 1.220 -3.135 -0.401 1.00 1.00 C ATOM 491 CD2 LEU A 35 2.224 -1.689 1.373 1.00 1.00 C ATOM 0 H LEU A 35 -0.169 -3.836 3.665 1.00 1.00 H new ATOM 0 HA LEU A 35 0.368 -0.976 3.050 1.00 1.00 H new ATOM 0 HB2 LEU A 35 -0.939 -3.104 1.294 1.00 1.00 H new ATOM 0 HB3 LEU A 35 -0.506 -1.474 0.817 1.00 1.00 H new ATOM 0 HG LEU A 35 1.442 -3.669 1.678 1.00 1.00 H new ATOM 0 HD11 LEU A 35 2.217 -3.479 -0.676 1.00 1.00 H new ATOM 0 HD12 LEU A 35 0.495 -3.923 -0.604 1.00 1.00 H new ATOM 0 HD13 LEU A 35 0.968 -2.250 -0.985 1.00 1.00 H new ATOM 0 HD21 LEU A 35 3.219 -2.043 1.104 1.00 1.00 H new ATOM 0 HD22 LEU A 35 1.983 -0.802 0.786 1.00 1.00 H new ATOM 0 HD23 LEU A 35 2.203 -1.439 2.434 1.00 1.00 H new ATOM 503 N THR A 36 -1.887 -0.319 3.810 1.00 1.00 N ATOM 504 CA THR A 36 -3.219 0.105 4.247 1.00 1.00 C ATOM 505 C THR A 36 -3.701 1.320 3.471 1.00 1.00 C ATOM 506 O THR A 36 -3.151 2.413 3.589 1.00 1.00 O ATOM 507 CB THR A 36 -3.196 0.423 5.747 1.00 1.00 C ATOM 508 OG1 THR A 36 -2.845 -0.749 6.469 1.00 1.00 O ATOM 509 CG2 THR A 36 -4.578 0.901 6.194 1.00 1.00 C ATOM 0 H THR A 36 -1.164 0.395 3.899 1.00 1.00 H new ATOM 0 HA THR A 36 -3.912 -0.714 4.054 1.00 1.00 H new ATOM 0 HB THR A 36 -2.464 1.207 5.940 1.00 1.00 H new ATOM 0 HG1 THR A 36 -2.828 -0.549 7.428 1.00 1.00 H new ATOM 0 HG21 THR A 36 -4.558 1.126 7.260 1.00 1.00 H new ATOM 0 HG22 THR A 36 -4.850 1.799 5.639 1.00 1.00 H new ATOM 0 HG23 THR A 36 -5.313 0.119 6.002 1.00 1.00 H new ATOM 517 N LEU A 37 -4.762 1.113 2.696 1.00 1.00 N ATOM 518 CA LEU A 37 -5.354 2.188 1.911 1.00 1.00 C ATOM 519 C LEU A 37 -6.372 2.930 2.762 1.00 1.00 C ATOM 520 O LEU A 37 -7.262 2.318 3.353 1.00 1.00 O ATOM 521 CB LEU A 37 -6.024 1.605 0.660 1.00 1.00 C ATOM 522 CG LEU A 37 -6.707 2.711 -0.162 1.00 1.00 C ATOM 523 CD1 LEU A 37 -5.687 3.797 -0.542 1.00 1.00 C ATOM 524 CD2 LEU A 37 -7.332 2.094 -1.434 1.00 1.00 C ATOM 0 H LEU A 37 -5.228 0.211 2.596 1.00 1.00 H new ATOM 0 HA LEU A 37 -4.578 2.886 1.597 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -5.279 1.098 0.047 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -6.760 0.856 0.952 1.00 1.00 H new ATOM 0 HG LEU A 37 -7.493 3.171 0.437 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -6.183 4.574 -1.124 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -5.266 4.234 0.364 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -4.888 3.354 -1.136 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -7.817 2.877 -2.018 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -6.551 1.626 -2.033 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -8.070 1.344 -1.150 1.00 1.00 H new ATOM 536 N ALA A 38 -6.226 4.250 2.845 1.00 1.00 N ATOM 537 CA ALA A 38 -7.136 5.055 3.653 1.00 1.00 C ATOM 538 C ALA A 38 -7.462 6.376 2.972 1.00 1.00 C ATOM 539 O ALA A 38 -6.648 6.927 2.234 1.00 1.00 O ATOM 540 CB ALA A 38 -6.500 5.324 5.018 1.00 1.00 C ATOM 0 H ALA A 38 -5.495 4.779 2.369 1.00 1.00 H new ATOM 0 HA ALA A 38 -8.066 4.500 3.776 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -7.178 5.925 5.623 1.00 1.00 H new ATOM 0 HB2 ALA A 38 -6.306 4.377 5.522 1.00 1.00 H new ATOM 0 HB3 ALA A 38 -5.561 5.861 4.883 1.00 1.00 H new ATOM 546 N GLN A 39 -8.665 6.882 3.233 1.00 1.00 N ATOM 547 CA GLN A 39 -9.117 8.147 2.657 1.00 1.00 C ATOM 548 C GLN A 39 -9.055 9.246 3.717 1.00 1.00 C ATOM 549 O GLN A 39 -9.592 9.085 4.810 1.00 1.00 O ATOM 550 CB GLN A 39 -10.565 7.992 2.169 1.00 1.00 C ATOM 551 CG GLN A 39 -11.048 9.285 1.505 1.00 1.00 C ATOM 552 CD GLN A 39 -12.527 9.159 1.163 1.00 1.00 C ATOM 553 OE1 GLN A 39 -12.917 8.289 0.384 1.00 1.00 O ATOM 554 NE2 GLN A 39 -13.383 9.960 1.732 1.00 1.00 N ATOM 0 H GLN A 39 -9.348 6.433 3.843 1.00 1.00 H new ATOM 0 HA GLN A 39 -8.472 8.416 1.820 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -10.630 7.166 1.461 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -11.214 7.743 3.009 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -10.889 10.131 2.174 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -10.470 9.480 0.602 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -13.057 10.680 2.377 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -14.379 9.867 1.532 1.00 1.00 H new ATOM 563 N ARG A 40 -8.409 10.370 3.394 1.00 1.00 N ATOM 564 CA ARG A 40 -8.309 11.478 4.349 1.00 1.00 C ATOM 565 C ARG A 40 -8.466 12.824 3.641 1.00 1.00 C ATOM 566 O ARG A 40 -7.906 13.041 2.567 1.00 1.00 O ATOM 567 CB ARG A 40 -6.966 11.419 5.085 1.00 1.00 C ATOM 568 CG ARG A 40 -6.919 12.505 6.162 1.00 1.00 C ATOM 569 CD ARG A 40 -5.691 12.289 7.053 1.00 1.00 C ATOM 570 NE ARG A 40 -4.460 12.505 6.298 1.00 1.00 N ATOM 571 CZ ARG A 40 -3.271 12.191 6.811 1.00 1.00 C ATOM 572 NH1 ARG A 40 -3.186 11.634 7.990 1.00 1.00 N ATOM 573 NH2 ARG A 40 -2.184 12.433 6.130 1.00 1.00 N ATOM 0 H ARG A 40 -7.955 10.536 2.496 1.00 1.00 H new ATOM 0 HA ARG A 40 -9.116 11.379 5.075 1.00 1.00 H new ATOM 0 HB2 ARG A 40 -6.832 10.437 5.539 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -6.147 11.558 4.379 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -6.876 13.490 5.698 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -7.828 12.475 6.763 1.00 1.00 H new ATOM 0 HD2 ARG A 40 -5.727 12.972 7.902 1.00 1.00 H new ATOM 0 HD3 ARG A 40 -5.703 11.277 7.457 1.00 1.00 H new ATOM 0 HE ARG A 40 -4.511 12.904 5.361 1.00 1.00 H new ATOM 0 HH11 ARG A 40 -4.033 11.437 8.523 1.00 1.00 H new ATOM 0 HH12 ARG A 40 -2.273 11.396 8.377 1.00 1.00 H new ATOM 0 HH21 ARG A 40 -2.246 12.862 5.207 1.00 1.00 H new ATOM 0 HH22 ARG A 40 -1.273 12.193 6.521 1.00 1.00 H new ATOM 587 N ASN A 41 -9.235 13.717 4.262 1.00 1.00 N ATOM 588 CA ASN A 41 -9.482 15.050 3.711 1.00 1.00 C ATOM 589 C ASN A 41 -10.125 14.976 2.327 1.00 1.00 C ATOM 590 O ASN A 41 -9.886 15.837 1.480 1.00 1.00 O ATOM 591 CB ASN A 41 -8.170 15.838 3.625 1.00 1.00 C ATOM 592 CG ASN A 41 -7.680 16.179 5.027 1.00 1.00 C ATOM 593 OD1 ASN A 41 -8.467 16.198 5.973 1.00 1.00 O ATOM 594 ND2 ASN A 41 -6.418 16.446 5.221 1.00 1.00 N ATOM 0 H ASN A 41 -9.701 13.541 5.152 1.00 1.00 H new ATOM 0 HA ASN A 41 -10.174 15.560 4.382 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -7.417 15.251 3.099 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -8.321 16.752 3.050 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -6.082 16.671 6.158 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -5.767 16.430 4.436 1.00 1.00 H new ATOM 601 N GLY A 42 -10.950 13.955 2.103 1.00 1.00 N ATOM 602 CA GLY A 42 -11.623 13.805 0.815 1.00 1.00 C ATOM 603 C GLY A 42 -10.632 13.415 -0.273 1.00 1.00 C ATOM 604 O GLY A 42 -10.860 13.662 -1.458 1.00 1.00 O ATOM 0 H GLY A 42 -11.166 13.229 2.786 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.401 13.046 0.893 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -12.115 14.740 0.546 1.00 1.00 H new ATOM 608 N GLN A 43 -9.525 12.811 0.145 1.00 1.00 N ATOM 609 CA GLN A 43 -8.476 12.386 -0.774 1.00 1.00 C ATOM 610 C GLN A 43 -8.065 10.952 -0.462 1.00 1.00 C ATOM 611 O GLN A 43 -8.261 10.469 0.651 1.00 1.00 O ATOM 612 CB GLN A 43 -7.276 13.337 -0.627 1.00 1.00 C ATOM 613 CG GLN A 43 -6.059 12.784 -1.363 1.00 1.00 C ATOM 614 CD GLN A 43 -6.413 12.523 -2.820 1.00 1.00 C ATOM 615 OE1 GLN A 43 -5.957 11.455 -3.413 1.00 1.00 O flip ATOM 616 NE2 GLN A 43 -7.128 13.314 -3.437 1.00 1.00 N flip ATOM 0 H GLN A 43 -9.330 12.603 1.124 1.00 1.00 H new ATOM 0 HA GLN A 43 -8.840 12.420 -1.801 1.00 1.00 H new ATOM 0 HB2 GLN A 43 -7.533 14.319 -1.024 1.00 1.00 H new ATOM 0 HB3 GLN A 43 -7.039 13.472 0.428 1.00 1.00 H new ATOM 0 HG2 GLN A 43 -5.232 13.492 -1.301 1.00 1.00 H new ATOM 0 HG3 GLN A 43 -5.724 11.861 -0.889 1.00 1.00 H new ATOM 0 HE21 GLN A 43 -7.484 14.149 -2.972 1.00 1.00 H new ATOM 0 HE22 GLN A 43 -7.364 13.134 -4.413 1.00 1.00 H new ATOM 625 N TYR A 44 -7.486 10.279 -1.453 1.00 1.00 N ATOM 626 CA TYR A 44 -7.033 8.897 -1.278 1.00 1.00 C ATOM 627 C TYR A 44 -5.533 8.869 -1.010 1.00 1.00 C ATOM 628 O TYR A 44 -4.758 9.544 -1.688 1.00 1.00 O ATOM 629 CB TYR A 44 -7.333 8.074 -2.535 1.00 1.00 C ATOM 630 CG TYR A 44 -8.823 7.870 -2.667 1.00 1.00 C ATOM 631 CD1 TYR A 44 -9.605 8.827 -3.322 1.00 1.00 C ATOM 632 CD2 TYR A 44 -9.421 6.717 -2.137 1.00 1.00 C ATOM 633 CE1 TYR A 44 -10.985 8.636 -3.447 1.00 1.00 C ATOM 634 CE2 TYR A 44 -10.802 6.527 -2.264 1.00 1.00 C ATOM 635 CZ TYR A 44 -11.584 7.487 -2.920 1.00 1.00 C ATOM 636 OH TYR A 44 -12.945 7.298 -3.046 1.00 1.00 O ATOM 0 H TYR A 44 -7.319 10.664 -2.383 1.00 1.00 H new ATOM 0 HA TYR A 44 -7.565 8.466 -0.430 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -6.947 8.585 -3.417 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -6.828 7.110 -2.479 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -9.143 9.713 -3.731 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -8.817 5.978 -1.632 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -11.589 9.376 -3.951 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -11.265 5.640 -1.856 1.00 1.00 H new ATOM 0 HH TYR A 44 -13.198 6.449 -2.626 1.00 1.00 H new ATOM 646 N GLU A 45 -5.122 8.083 -0.017 1.00 1.00 N ATOM 647 CA GLU A 45 -3.705 7.970 0.329 1.00 1.00 C ATOM 648 C GLU A 45 -3.388 6.558 0.811 1.00 1.00 C ATOM 649 O GLU A 45 -4.190 5.933 1.504 1.00 1.00 O ATOM 650 CB GLU A 45 -3.335 9.006 1.405 1.00 1.00 C ATOM 651 CG GLU A 45 -3.977 8.649 2.749 1.00 1.00 C ATOM 652 CD GLU A 45 -3.657 9.728 3.777 1.00 1.00 C ATOM 653 OE1 GLU A 45 -3.687 10.893 3.412 1.00 1.00 O ATOM 654 OE2 GLU A 45 -3.385 9.374 4.911 1.00 1.00 O ATOM 0 H GLU A 45 -5.745 7.518 0.560 1.00 1.00 H new ATOM 0 HA GLU A 45 -3.110 8.170 -0.562 1.00 1.00 H new ATOM 0 HB2 GLU A 45 -2.252 9.051 1.515 1.00 1.00 H new ATOM 0 HB3 GLU A 45 -3.665 9.996 1.091 1.00 1.00 H new ATOM 0 HG2 GLU A 45 -5.057 8.553 2.633 1.00 1.00 H new ATOM 0 HG3 GLU A 45 -3.607 7.684 3.094 1.00 1.00 H new ATOM 661 N LEU A 46 -2.213 6.059 0.430 1.00 1.00 N ATOM 662 CA LEU A 46 -1.781 4.711 0.813 1.00 1.00 C ATOM 663 C LEU A 46 -0.723 4.777 1.909 1.00 1.00 C ATOM 664 O LEU A 46 0.307 5.430 1.753 1.00 1.00 O ATOM 665 CB LEU A 46 -1.204 3.999 -0.422 1.00 1.00 C ATOM 666 CG LEU A 46 -0.654 2.611 -0.050 1.00 1.00 C ATOM 667 CD1 LEU A 46 -1.749 1.772 0.624 1.00 1.00 C ATOM 668 CD2 LEU A 46 -0.181 1.908 -1.330 1.00 1.00 C ATOM 0 H LEU A 46 -1.541 6.567 -0.145 1.00 1.00 H new ATOM 0 HA LEU A 46 -2.639 4.158 1.196 1.00 1.00 H new ATOM 0 HB2 LEU A 46 -1.979 3.896 -1.182 1.00 1.00 H new ATOM 0 HB3 LEU A 46 -0.409 4.605 -0.857 1.00 1.00 H new ATOM 0 HG LEU A 46 0.178 2.723 0.645 1.00 1.00 H new ATOM 0 HD11 LEU A 46 -1.349 0.792 0.883 1.00 1.00 H new ATOM 0 HD12 LEU A 46 -2.088 2.276 1.529 1.00 1.00 H new ATOM 0 HD13 LEU A 46 -2.588 1.652 -0.061 1.00 1.00 H new ATOM 0 HD21 LEU A 46 0.211 0.922 -1.080 1.00 1.00 H new ATOM 0 HD22 LEU A 46 -1.020 1.801 -2.018 1.00 1.00 H new ATOM 0 HD23 LEU A 46 0.602 2.501 -1.803 1.00 1.00 H new ATOM 680 N ILE A 47 -0.979 4.086 3.018 1.00 1.00 N ATOM 681 CA ILE A 47 -0.033 4.063 4.132 1.00 1.00 C ATOM 682 C ILE A 47 0.794 2.790 4.078 1.00 1.00 C ATOM 683 O ILE A 47 0.248 1.688 4.116 1.00 1.00 O ATOM 684 CB ILE A 47 -0.777 4.108 5.468 1.00 1.00 C ATOM 685 CG1 ILE A 47 -1.616 5.385 5.554 1.00 1.00 C ATOM 686 CG2 ILE A 47 0.238 4.093 6.612 1.00 1.00 C ATOM 687 CD1 ILE A 47 -2.567 5.288 6.748 1.00 1.00 C ATOM 0 H ILE A 47 -1.826 3.539 3.169 1.00 1.00 H new ATOM 0 HA ILE A 47 0.615 4.935 4.049 1.00 1.00 H new ATOM 0 HB ILE A 47 -1.433 3.241 5.543 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -0.966 6.254 5.662 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -2.183 5.524 4.634 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -0.288 4.125 7.566 1.00 1.00 H new ATOM 0 HG22 ILE A 47 0.835 3.182 6.557 1.00 1.00 H new ATOM 0 HG23 ILE A 47 0.892 4.961 6.529 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -3.166 6.197 6.811 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -3.225 4.428 6.620 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -1.989 5.170 7.665 1.00 1.00 H new ATOM 699 N ILE A 48 2.115 2.940 3.997 1.00 1.00 N ATOM 700 CA ILE A 48 3.004 1.780 3.947 1.00 1.00 C ATOM 701 C ILE A 48 3.729 1.645 5.277 1.00 1.00 C ATOM 702 O ILE A 48 4.375 2.584 5.739 1.00 1.00 O ATOM 703 CB ILE A 48 4.026 1.946 2.817 1.00 1.00 C ATOM 704 CG1 ILE A 48 3.294 2.237 1.505 1.00 1.00 C ATOM 705 CG2 ILE A 48 4.838 0.655 2.657 1.00 1.00 C ATOM 706 CD1 ILE A 48 4.303 2.322 0.355 1.00 1.00 C ATOM 0 H ILE A 48 2.590 3.842 3.965 1.00 1.00 H new ATOM 0 HA ILE A 48 2.413 0.884 3.758 1.00 1.00 H new ATOM 0 HB ILE A 48 4.695 2.772 3.061 1.00 1.00 H new ATOM 0 HG12 ILE A 48 2.564 1.453 1.303 1.00 1.00 H new ATOM 0 HG13 ILE A 48 2.742 3.173 1.586 1.00 1.00 H new ATOM 0 HG21 ILE A 48 5.563 0.778 1.852 1.00 1.00 H new ATOM 0 HG22 ILE A 48 5.362 0.437 3.588 1.00 1.00 H new ATOM 0 HG23 ILE A 48 4.167 -0.170 2.417 1.00 1.00 H new ATOM 0 HD11 ILE A 48 3.776 2.529 -0.577 1.00 1.00 H new ATOM 0 HD12 ILE A 48 5.016 3.122 0.555 1.00 1.00 H new ATOM 0 HD13 ILE A 48 4.836 1.375 0.268 1.00 1.00 H new ATOM 718 N GLN A 49 3.611 0.472 5.897 1.00 1.00 N ATOM 719 CA GLN A 49 4.258 0.218 7.186 1.00 1.00 C ATOM 720 C GLN A 49 5.323 -0.858 7.057 1.00 1.00 C ATOM 721 O GLN A 49 5.040 -1.978 6.648 1.00 1.00 O ATOM 722 CB GLN A 49 3.219 -0.230 8.211 1.00 1.00 C ATOM 723 CG GLN A 49 2.305 0.941 8.543 1.00 1.00 C ATOM 724 CD GLN A 49 1.366 0.550 9.671 1.00 1.00 C ATOM 725 OE1 GLN A 49 1.578 1.030 10.863 1.00 1.00 O flip ATOM 726 NE2 GLN A 49 0.436 -0.231 9.470 1.00 1.00 N flip ATOM 0 H GLN A 49 3.076 -0.315 5.531 1.00 1.00 H new ATOM 0 HA GLN A 49 4.729 1.144 7.515 1.00 1.00 H new ATOM 0 HB2 GLN A 49 2.635 -1.061 7.815 1.00 1.00 H new ATOM 0 HB3 GLN A 49 3.713 -0.589 9.114 1.00 1.00 H new ATOM 0 HG2 GLN A 49 2.899 1.808 8.834 1.00 1.00 H new ATOM 0 HG3 GLN A 49 1.731 1.229 7.662 1.00 1.00 H new ATOM 0 HE21 GLN A 49 0.276 -0.603 8.534 1.00 1.00 H new ATOM 0 HE22 GLN A 49 -0.174 -0.506 10.240 1.00 1.00 H new ATOM 735 N LEU A 50 6.553 -0.513 7.432 1.00 1.00 N ATOM 736 CA LEU A 50 7.672 -1.459 7.373 1.00 1.00 C ATOM 737 C LEU A 50 8.014 -1.936 8.781 1.00 1.00 C ATOM 738 O LEU A 50 8.213 -1.128 9.689 1.00 1.00 O ATOM 739 CB LEU A 50 8.904 -0.783 6.738 1.00 1.00 C ATOM 740 CG LEU A 50 8.821 -0.854 5.207 1.00 1.00 C ATOM 741 CD1 LEU A 50 7.503 -0.240 4.727 1.00 1.00 C ATOM 742 CD2 LEU A 50 9.998 -0.078 4.601 1.00 1.00 C ATOM 0 H LEU A 50 6.803 0.413 7.780 1.00 1.00 H new ATOM 0 HA LEU A 50 7.384 -2.314 6.761 1.00 1.00 H new ATOM 0 HB2 LEU A 50 8.962 0.257 7.058 1.00 1.00 H new ATOM 0 HB3 LEU A 50 9.814 -1.273 7.083 1.00 1.00 H new ATOM 0 HG LEU A 50 8.864 -1.896 4.891 1.00 1.00 H new ATOM 0 HD11 LEU A 50 7.451 -0.294 3.640 1.00 1.00 H new ATOM 0 HD12 LEU A 50 6.667 -0.791 5.158 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.451 0.802 5.041 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.944 -0.125 3.513 1.00 1.00 H new ATOM 0 HD22 LEU A 50 9.951 0.963 4.922 1.00 1.00 H new ATOM 0 HD23 LEU A 50 10.936 -0.519 4.937 1.00 1.00 H new ATOM 754 N HIS A 51 8.083 -3.250 8.956 1.00 1.00 N ATOM 755 CA HIS A 51 8.405 -3.815 10.259 1.00 1.00 C ATOM 756 C HIS A 51 9.885 -3.611 10.571 1.00 1.00 C ATOM 757 O HIS A 51 10.569 -4.532 11.014 1.00 1.00 O ATOM 758 CB HIS A 51 8.081 -5.311 10.274 1.00 1.00 C ATOM 759 CG HIS A 51 6.592 -5.504 10.187 1.00 1.00 C ATOM 760 ND1 HIS A 51 5.834 -4.960 9.163 1.00 1.00 N ATOM 761 CD2 HIS A 51 5.709 -6.188 10.985 1.00 1.00 C ATOM 762 CE1 HIS A 51 4.554 -5.322 9.369 1.00 1.00 C ATOM 763 NE2 HIS A 51 4.422 -6.071 10.467 1.00 1.00 N ATOM 0 H HIS A 51 7.922 -3.938 8.220 1.00 1.00 H new ATOM 0 HA HIS A 51 7.807 -3.308 11.016 1.00 1.00 H new ATOM 0 HB2 HIS A 51 8.572 -5.808 9.438 1.00 1.00 H new ATOM 0 HB3 HIS A 51 8.465 -5.768 11.186 1.00 1.00 H new ATOM 0 HD2 HIS A 51 5.973 -6.734 11.879 1.00 1.00 H new ATOM 0 HE1 HIS A 51 3.734 -5.041 8.725 1.00 1.00 H new ATOM 0 HE2 HIS A 51 3.563 -6.471 10.845 1.00 1.00 H new ATOM 771 N GLU A 52 10.373 -2.394 10.333 1.00 1.00 N ATOM 772 CA GLU A 52 11.774 -2.074 10.586 1.00 1.00 C ATOM 773 C GLU A 52 12.232 -2.694 11.904 1.00 1.00 C ATOM 774 O GLU A 52 11.451 -2.815 12.847 1.00 1.00 O ATOM 775 CB GLU A 52 11.945 -0.555 10.644 1.00 1.00 C ATOM 776 CG GLU A 52 13.432 -0.199 10.637 1.00 1.00 C ATOM 777 CD GLU A 52 14.025 -0.471 9.260 1.00 1.00 C ATOM 778 OE1 GLU A 52 13.264 -0.794 8.363 1.00 1.00 O ATOM 779 OE2 GLU A 52 15.231 -0.349 9.122 1.00 1.00 O ATOM 0 H GLU A 52 9.821 -1.618 9.967 1.00 1.00 H new ATOM 0 HA GLU A 52 12.382 -2.482 9.779 1.00 1.00 H new ATOM 0 HB2 GLU A 52 11.447 -0.091 9.793 1.00 1.00 H new ATOM 0 HB3 GLU A 52 11.472 -0.161 11.543 1.00 1.00 H new ATOM 0 HG2 GLU A 52 13.565 0.851 10.898 1.00 1.00 H new ATOM 0 HG3 GLU A 52 13.958 -0.784 11.391 1.00 1.00 H new ATOM 786 N LYS A 53 13.496 -3.096 11.961 1.00 1.00 N ATOM 787 CA LYS A 53 14.029 -3.711 13.170 1.00 1.00 C ATOM 788 C LYS A 53 13.958 -2.730 14.339 1.00 1.00 C ATOM 789 O LYS A 53 13.653 -3.117 15.467 1.00 1.00 O ATOM 790 CB LYS A 53 15.482 -4.147 12.950 1.00 1.00 C ATOM 791 CG LYS A 53 15.535 -5.256 11.893 1.00 1.00 C ATOM 792 CD LYS A 53 16.989 -5.692 11.678 1.00 1.00 C ATOM 793 CE LYS A 53 17.060 -6.734 10.555 1.00 1.00 C ATOM 794 NZ LYS A 53 16.295 -7.950 10.952 1.00 1.00 N ATOM 0 H LYS A 53 14.164 -3.009 11.195 1.00 1.00 H new ATOM 0 HA LYS A 53 13.426 -4.588 13.404 1.00 1.00 H new ATOM 0 HB2 LYS A 53 16.082 -3.296 12.628 1.00 1.00 H new ATOM 0 HB3 LYS A 53 15.911 -4.503 13.887 1.00 1.00 H new ATOM 0 HG2 LYS A 53 14.933 -6.107 12.213 1.00 1.00 H new ATOM 0 HG3 LYS A 53 15.109 -4.899 10.955 1.00 1.00 H new ATOM 0 HD2 LYS A 53 17.603 -4.828 11.424 1.00 1.00 H new ATOM 0 HD3 LYS A 53 17.393 -6.110 12.600 1.00 1.00 H new ATOM 0 HE2 LYS A 53 16.651 -6.319 9.634 1.00 1.00 H new ATOM 0 HE3 LYS A 53 18.099 -6.995 10.353 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 16.559 -8.743 10.333 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 16.516 -8.192 11.939 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 15.276 -7.764 10.861 1.00 1.00 H new ATOM 808 N GLU A 54 14.244 -1.458 14.062 1.00 1.00 N ATOM 809 CA GLU A 54 14.213 -0.432 15.105 1.00 1.00 C ATOM 810 C GLU A 54 12.828 -0.356 15.734 1.00 1.00 C ATOM 811 O GLU A 54 12.688 -0.337 16.956 1.00 1.00 O ATOM 812 CB GLU A 54 14.560 0.934 14.510 1.00 1.00 C ATOM 813 CG GLU A 54 15.940 0.866 13.872 1.00 1.00 C ATOM 814 CD GLU A 54 16.304 2.216 13.264 1.00 1.00 C ATOM 815 OE1 GLU A 54 15.514 3.138 13.395 1.00 1.00 O ATOM 816 OE2 GLU A 54 17.368 2.311 12.673 1.00 1.00 O ATOM 0 H GLU A 54 14.497 -1.115 13.135 1.00 1.00 H new ATOM 0 HA GLU A 54 14.945 -0.699 15.867 1.00 1.00 H new ATOM 0 HB2 GLU A 54 13.816 1.220 13.766 1.00 1.00 H new ATOM 0 HB3 GLU A 54 14.543 1.698 15.288 1.00 1.00 H new ATOM 0 HG2 GLU A 54 16.681 0.584 14.620 1.00 1.00 H new ATOM 0 HG3 GLU A 54 15.955 0.095 13.101 1.00 1.00 H new ATOM 823 N GLN A 55 11.811 -0.313 14.884 1.00 1.00 N ATOM 824 CA GLN A 55 10.427 -0.240 15.356 1.00 1.00 C ATOM 825 C GLN A 55 9.448 -0.341 14.189 1.00 1.00 C ATOM 826 O GLN A 55 9.817 -0.760 13.093 1.00 1.00 O ATOM 827 CB GLN A 55 10.190 1.076 16.110 1.00 1.00 C ATOM 828 CG GLN A 55 10.494 2.265 15.192 1.00 1.00 C ATOM 829 CD GLN A 55 10.184 3.573 15.912 1.00 1.00 C ATOM 830 OE1 GLN A 55 9.289 3.622 16.756 1.00 1.00 O ATOM 831 NE2 GLN A 55 10.867 4.646 15.618 1.00 1.00 N ATOM 0 H GLN A 55 11.913 -0.327 13.869 1.00 1.00 H new ATOM 0 HA GLN A 55 10.258 -1.079 16.030 1.00 1.00 H new ATOM 0 HB2 GLN A 55 9.157 1.127 16.455 1.00 1.00 H new ATOM 0 HB3 GLN A 55 10.824 1.117 16.995 1.00 1.00 H new ATOM 0 HG2 GLN A 55 11.542 2.245 14.892 1.00 1.00 H new ATOM 0 HG3 GLN A 55 9.900 2.192 14.281 1.00 1.00 H new ATOM 0 HE21 GLN A 55 11.608 4.603 14.918 1.00 1.00 H new ATOM 0 HE22 GLN A 55 10.660 5.527 16.088 1.00 1.00 H new ATOM 840 N HIS A 56 8.196 0.060 14.430 1.00 1.00 N ATOM 841 CA HIS A 56 7.164 0.024 13.391 1.00 1.00 C ATOM 842 C HIS A 56 7.028 1.402 12.748 1.00 1.00 C ATOM 843 O HIS A 56 6.141 2.181 13.097 1.00 1.00 O ATOM 844 CB HIS A 56 5.820 -0.397 14.001 1.00 1.00 C ATOM 845 CG HIS A 56 4.873 -0.810 12.905 1.00 1.00 C ATOM 846 ND1 HIS A 56 5.103 -1.922 12.111 1.00 1.00 N ATOM 847 CD2 HIS A 56 3.691 -0.270 12.459 1.00 1.00 C ATOM 848 CE1 HIS A 56 4.086 -2.015 11.237 1.00 1.00 C ATOM 849 NE2 HIS A 56 3.197 -1.032 11.404 1.00 1.00 N ATOM 0 H HIS A 56 7.874 0.412 15.332 1.00 1.00 H new ATOM 0 HA HIS A 56 7.453 -0.701 12.630 1.00 1.00 H new ATOM 0 HB2 HIS A 56 5.968 -1.223 14.697 1.00 1.00 H new ATOM 0 HB3 HIS A 56 5.394 0.428 14.571 1.00 1.00 H new ATOM 0 HD1 HIS A 56 5.900 -2.555 12.178 1.00 1.00 H new ATOM 0 HD2 HIS A 56 3.217 0.611 12.865 1.00 1.00 H new ATOM 0 HE1 HIS A 56 3.998 -2.790 10.490 1.00 1.00 H new ATOM 857 N VAL A 57 7.920 1.697 11.808 1.00 1.00 N ATOM 858 CA VAL A 57 7.898 2.985 11.126 1.00 1.00 C ATOM 859 C VAL A 57 6.727 3.056 10.158 1.00 1.00 C ATOM 860 O VAL A 57 6.462 2.113 9.410 1.00 1.00 O ATOM 861 CB VAL A 57 9.199 3.200 10.358 1.00 1.00 C ATOM 862 CG1 VAL A 57 9.254 4.637 9.836 1.00 1.00 C ATOM 863 CG2 VAL A 57 10.391 2.950 11.283 1.00 1.00 C ATOM 0 H VAL A 57 8.662 1.067 11.503 1.00 1.00 H new ATOM 0 HA VAL A 57 7.788 3.765 11.879 1.00 1.00 H new ATOM 0 HB VAL A 57 9.240 2.505 9.519 1.00 1.00 H new ATOM 0 HG11 VAL A 57 10.184 4.790 9.288 1.00 1.00 H new ATOM 0 HG12 VAL A 57 8.408 4.816 9.173 1.00 1.00 H new ATOM 0 HG13 VAL A 57 9.210 5.331 10.675 1.00 1.00 H new ATOM 0 HG21 VAL A 57 11.318 3.104 10.731 1.00 1.00 H new ATOM 0 HG22 VAL A 57 10.350 3.642 12.124 1.00 1.00 H new ATOM 0 HG23 VAL A 57 10.356 1.925 11.653 1.00 1.00 H new ATOM 873 N GLN A 58 6.024 4.182 10.183 1.00 1.00 N ATOM 874 CA GLN A 58 4.867 4.388 9.311 1.00 1.00 C ATOM 875 C GLN A 58 5.193 5.406 8.221 1.00 1.00 C ATOM 876 O GLN A 58 5.453 6.573 8.509 1.00 1.00 O ATOM 877 CB GLN A 58 3.684 4.896 10.144 1.00 1.00 C ATOM 878 CG GLN A 58 2.437 5.018 9.264 1.00 1.00 C ATOM 879 CD GLN A 58 1.277 5.573 10.081 1.00 1.00 C ATOM 880 OE1 GLN A 58 0.190 4.868 10.212 1.00 1.00 O flip ATOM 881 NE2 GLN A 58 1.362 6.681 10.608 1.00 1.00 N flip ATOM 0 H GLN A 58 6.233 4.969 10.797 1.00 1.00 H new ATOM 0 HA GLN A 58 4.609 3.439 8.840 1.00 1.00 H new ATOM 0 HB2 GLN A 58 3.490 4.212 10.970 1.00 1.00 H new ATOM 0 HB3 GLN A 58 3.926 5.864 10.582 1.00 1.00 H new ATOM 0 HG2 GLN A 58 2.642 5.672 8.417 1.00 1.00 H new ATOM 0 HG3 GLN A 58 2.172 4.042 8.857 1.00 1.00 H new ATOM 0 HE21 GLN A 58 2.215 7.231 10.504 1.00 1.00 H new ATOM 0 HE22 GLN A 58 0.580 7.050 11.149 1.00 1.00 H new ATOM 890 N ASP A 59 5.155 4.957 6.968 1.00 1.00 N ATOM 891 CA ASP A 59 5.428 5.832 5.830 1.00 1.00 C ATOM 892 C ASP A 59 4.113 6.268 5.192 1.00 1.00 C ATOM 893 O ASP A 59 3.230 5.444 4.954 1.00 1.00 O ATOM 894 CB ASP A 59 6.272 5.086 4.797 1.00 1.00 C ATOM 895 CG ASP A 59 7.666 4.816 5.355 1.00 1.00 C ATOM 896 OD1 ASP A 59 8.012 5.424 6.354 1.00 1.00 O ATOM 897 OD2 ASP A 59 8.365 4.001 4.775 1.00 1.00 O ATOM 0 H ASP A 59 4.938 3.993 6.715 1.00 1.00 H new ATOM 0 HA ASP A 59 5.973 6.710 6.176 1.00 1.00 H new ATOM 0 HB2 ASP A 59 5.789 4.145 4.533 1.00 1.00 H new ATOM 0 HB3 ASP A 59 6.346 5.675 3.883 1.00 1.00 H new ATOM 902 N ILE A 60 3.978 7.565 4.926 1.00 1.00 N ATOM 903 CA ILE A 60 2.753 8.093 4.324 1.00 1.00 C ATOM 904 C ILE A 60 2.975 8.373 2.841 1.00 1.00 C ATOM 905 O ILE A 60 3.711 9.288 2.476 1.00 1.00 O ATOM 906 CB ILE A 60 2.347 9.385 5.041 1.00 1.00 C ATOM 907 CG1 ILE A 60 2.273 9.134 6.557 1.00 1.00 C ATOM 908 CG2 ILE A 60 0.987 9.861 4.527 1.00 1.00 C ATOM 909 CD1 ILE A 60 1.328 7.964 6.867 1.00 1.00 C ATOM 0 H ILE A 60 4.694 8.266 5.115 1.00 1.00 H new ATOM 0 HA ILE A 60 1.958 7.355 4.427 1.00 1.00 H new ATOM 0 HB ILE A 60 3.092 10.155 4.840 1.00 1.00 H new ATOM 0 HG12 ILE A 60 3.269 8.916 6.944 1.00 1.00 H new ATOM 0 HG13 ILE A 60 1.924 10.034 7.063 1.00 1.00 H new ATOM 0 HG21 ILE A 60 0.705 10.780 5.041 1.00 1.00 H new ATOM 0 HG22 ILE A 60 1.049 10.049 3.455 1.00 1.00 H new ATOM 0 HG23 ILE A 60 0.237 9.093 4.718 1.00 1.00 H new ATOM 0 HD11 ILE A 60 1.290 7.803 7.944 1.00 1.00 H new ATOM 0 HD12 ILE A 60 0.329 8.196 6.499 1.00 1.00 H new ATOM 0 HD13 ILE A 60 1.694 7.061 6.378 1.00 1.00 H new ATOM 921 N ILE A 61 2.330 7.575 1.989 1.00 1.00 N ATOM 922 CA ILE A 61 2.460 7.732 0.543 1.00 1.00 C ATOM 923 C ILE A 61 1.111 8.141 -0.071 1.00 1.00 C ATOM 924 O ILE A 61 0.190 7.328 -0.121 1.00 1.00 O ATOM 925 CB ILE A 61 2.909 6.407 -0.074 1.00 1.00 C ATOM 926 CG1 ILE A 61 4.164 5.892 0.647 1.00 1.00 C ATOM 927 CG2 ILE A 61 3.216 6.610 -1.556 1.00 1.00 C ATOM 928 CD1 ILE A 61 5.264 6.965 0.672 1.00 1.00 C ATOM 0 H ILE A 61 1.714 6.815 2.276 1.00 1.00 H new ATOM 0 HA ILE A 61 3.197 8.508 0.338 1.00 1.00 H new ATOM 0 HB ILE A 61 2.110 5.674 0.034 1.00 1.00 H new ATOM 0 HG12 ILE A 61 3.909 5.603 1.667 1.00 1.00 H new ATOM 0 HG13 ILE A 61 4.535 4.998 0.146 1.00 1.00 H new ATOM 0 HG21 ILE A 61 3.536 5.665 -1.994 1.00 1.00 H new ATOM 0 HG22 ILE A 61 2.321 6.963 -2.068 1.00 1.00 H new ATOM 0 HG23 ILE A 61 4.011 7.348 -1.665 1.00 1.00 H new ATOM 0 HD11 ILE A 61 6.141 6.575 1.188 1.00 1.00 H new ATOM 0 HD12 ILE A 61 5.533 7.234 -0.349 1.00 1.00 H new ATOM 0 HD13 ILE A 61 4.899 7.849 1.195 1.00 1.00 H new ATOM 940 N PRO A 62 0.954 9.367 -0.527 1.00 1.00 N ATOM 941 CA PRO A 62 -0.337 9.822 -1.120 1.00 1.00 C ATOM 942 C PRO A 62 -0.562 9.272 -2.526 1.00 1.00 C ATOM 943 O PRO A 62 0.386 9.006 -3.262 1.00 1.00 O ATOM 944 CB PRO A 62 -0.213 11.351 -1.117 1.00 1.00 C ATOM 945 CG PRO A 62 1.254 11.616 -1.241 1.00 1.00 C ATOM 946 CD PRO A 62 1.965 10.447 -0.548 1.00 1.00 C ATOM 0 HA PRO A 62 -1.199 9.464 -0.557 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -0.766 11.794 -1.945 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -0.616 11.779 -0.199 1.00 1.00 H new ATOM 0 HG2 PRO A 62 1.549 11.684 -2.288 1.00 1.00 H new ATOM 0 HG3 PRO A 62 1.518 12.564 -0.773 1.00 1.00 H new ATOM 0 HD2 PRO A 62 2.859 10.145 -1.094 1.00 1.00 H new ATOM 0 HD3 PRO A 62 2.282 10.715 0.460 1.00 1.00 H new ATOM 954 N ILE A 63 -1.834 9.107 -2.885 1.00 1.00 N ATOM 955 CA ILE A 63 -2.202 8.589 -4.204 1.00 1.00 C ATOM 956 C ILE A 63 -2.487 9.736 -5.172 1.00 1.00 C ATOM 957 O ILE A 63 -3.321 10.600 -4.908 1.00 1.00 O ATOM 958 CB ILE A 63 -3.439 7.692 -4.068 1.00 1.00 C ATOM 959 CG1 ILE A 63 -3.054 6.438 -3.278 1.00 1.00 C ATOM 960 CG2 ILE A 63 -3.955 7.290 -5.448 1.00 1.00 C ATOM 961 CD1 ILE A 63 -4.312 5.678 -2.858 1.00 1.00 C ATOM 0 H ILE A 63 -2.628 9.324 -2.282 1.00 1.00 H new ATOM 0 HA ILE A 63 -1.371 8.007 -4.603 1.00 1.00 H new ATOM 0 HB ILE A 63 -4.227 8.236 -3.547 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -2.417 5.796 -3.887 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -2.476 6.716 -2.397 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -4.833 6.654 -5.337 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -4.224 8.184 -6.011 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -3.177 6.745 -5.983 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -4.029 4.788 -2.297 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -4.933 6.319 -2.232 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -4.873 5.384 -3.745 1.00 1.00 H new ATOM 973 N ASN A 64 -1.779 9.736 -6.297 1.00 1.00 N ATOM 974 CA ASN A 64 -1.955 10.774 -7.302 1.00 1.00 C ATOM 975 C ASN A 64 -1.167 10.417 -8.559 1.00 1.00 C ATOM 976 O ASN A 64 -0.968 9.241 -8.865 1.00 1.00 O ATOM 977 CB ASN A 64 -1.476 12.123 -6.752 1.00 1.00 C ATOM 978 CG ASN A 64 0.047 12.144 -6.670 1.00 1.00 C ATOM 979 OD1 ASN A 64 0.674 11.107 -6.190 1.00 1.00 O flip ATOM 980 ND2 ASN A 64 0.677 13.126 -7.060 1.00 1.00 N flip ATOM 0 H ASN A 64 -1.081 9.031 -6.534 1.00 1.00 H new ATOM 0 HA ASN A 64 -3.013 10.849 -7.553 1.00 1.00 H new ATOM 0 HB2 ASN A 64 -1.825 12.931 -7.395 1.00 1.00 H new ATOM 0 HB3 ASN A 64 -1.904 12.294 -5.764 1.00 1.00 H new ATOM 0 HD21 ASN A 64 0.181 13.935 -7.435 1.00 1.00 H new ATOM 0 HD22 ASN A 64 1.696 13.132 -7.009 1.00 1.00 H new ATOM 987 N SER A 65 -0.724 11.436 -9.282 1.00 1.00 N ATOM 988 CA SER A 65 0.045 11.223 -10.507 1.00 1.00 C ATOM 989 C SER A 65 1.463 10.725 -10.217 1.00 1.00 C ATOM 990 O SER A 65 1.985 9.874 -10.934 1.00 1.00 O ATOM 991 CB SER A 65 0.123 12.525 -11.300 1.00 1.00 C ATOM 992 OG SER A 65 -1.185 13.049 -11.467 1.00 1.00 O ATOM 0 H SER A 65 -0.881 12.416 -9.046 1.00 1.00 H new ATOM 0 HA SER A 65 -0.469 10.456 -11.086 1.00 1.00 H new ATOM 0 HB2 SER A 65 0.752 13.246 -10.778 1.00 1.00 H new ATOM 0 HB3 SER A 65 0.583 12.346 -12.272 1.00 1.00 H new ATOM 0 HG SER A 65 -1.140 13.886 -11.974 1.00 1.00 H new ATOM 998 N HIS A 66 2.093 11.274 -9.178 1.00 1.00 N ATOM 999 CA HIS A 66 3.465 10.886 -8.836 1.00 1.00 C ATOM 1000 C HIS A 66 3.505 9.507 -8.180 1.00 1.00 C ATOM 1001 O HIS A 66 4.559 8.877 -8.102 1.00 1.00 O ATOM 1002 CB HIS A 66 4.096 11.937 -7.909 1.00 1.00 C ATOM 1003 CG HIS A 66 3.537 11.821 -6.516 1.00 1.00 C ATOM 1004 ND1 HIS A 66 2.885 12.724 -5.713 1.00 1.00 N flip ATOM 1005 CD2 HIS A 66 3.614 10.650 -5.780 1.00 1.00 C flip ATOM 1006 CE1 HIS A 66 2.556 12.124 -4.502 1.00 1.00 C flip ATOM 1007 NE2 HIS A 66 3.021 10.875 -4.594 1.00 1.00 N flip ATOM 0 H HIS A 66 1.684 11.979 -8.565 1.00 1.00 H new ATOM 0 HA HIS A 66 4.042 10.833 -9.760 1.00 1.00 H new ATOM 0 HB2 HIS A 66 5.178 11.805 -7.884 1.00 1.00 H new ATOM 0 HB3 HIS A 66 3.906 12.936 -8.301 1.00 1.00 H new ATOM 0 HD2 HIS A 66 4.068 9.724 -6.101 1.00 1.00 H new ATOM 0 HE1 HIS A 66 2.037 12.571 -3.667 1.00 1.00 H new ATOM 0 HE2 HIS A 66 2.937 10.177 -3.855 1.00 1.00 H new ATOM 1015 N PHE A 67 2.350 9.045 -7.711 1.00 1.00 N ATOM 1016 CA PHE A 67 2.246 7.739 -7.063 1.00 1.00 C ATOM 1017 C PHE A 67 1.641 6.722 -8.024 1.00 1.00 C ATOM 1018 O PHE A 67 0.537 6.918 -8.537 1.00 1.00 O ATOM 1019 CB PHE A 67 1.364 7.853 -5.811 1.00 1.00 C ATOM 1020 CG PHE A 67 1.031 6.476 -5.280 1.00 1.00 C ATOM 1021 CD1 PHE A 67 1.935 5.803 -4.450 1.00 1.00 C ATOM 1022 CD2 PHE A 67 -0.184 5.876 -5.623 1.00 1.00 C ATOM 1023 CE1 PHE A 67 1.620 4.529 -3.963 1.00 1.00 C ATOM 1024 CE2 PHE A 67 -0.498 4.602 -5.137 1.00 1.00 C ATOM 1025 CZ PHE A 67 0.403 3.929 -4.306 1.00 1.00 C ATOM 0 H PHE A 67 1.469 9.557 -7.767 1.00 1.00 H new ATOM 0 HA PHE A 67 3.244 7.406 -6.777 1.00 1.00 H new ATOM 0 HB2 PHE A 67 1.880 8.431 -5.045 1.00 1.00 H new ATOM 0 HB3 PHE A 67 0.446 8.390 -6.051 1.00 1.00 H new ATOM 0 HD1 PHE A 67 2.874 6.266 -4.186 1.00 1.00 H new ATOM 0 HD2 PHE A 67 -0.881 6.396 -6.264 1.00 1.00 H new ATOM 0 HE1 PHE A 67 2.317 4.009 -3.322 1.00 1.00 H new ATOM 0 HE2 PHE A 67 -1.436 4.138 -5.404 1.00 1.00 H new ATOM 0 HZ PHE A 67 0.160 2.947 -3.929 1.00 1.00 H new ATOM 1035 N ARG A 68 2.364 5.630 -8.251 1.00 1.00 N ATOM 1036 CA ARG A 68 1.889 4.572 -9.141 1.00 1.00 C ATOM 1037 C ARG A 68 2.085 3.200 -8.506 1.00 1.00 C ATOM 1038 O ARG A 68 3.089 2.940 -7.838 1.00 1.00 O ATOM 1039 CB ARG A 68 2.624 4.627 -10.480 1.00 1.00 C ATOM 1040 CG ARG A 68 2.161 5.855 -11.269 1.00 1.00 C ATOM 1041 CD ARG A 68 2.877 5.887 -12.619 1.00 1.00 C ATOM 1042 NE ARG A 68 2.424 7.036 -13.401 1.00 1.00 N ATOM 1043 CZ ARG A 68 2.943 7.315 -14.595 1.00 1.00 C ATOM 1044 NH1 ARG A 68 3.924 6.599 -15.067 1.00 1.00 N ATOM 1045 NH2 ARG A 68 2.475 8.316 -15.291 1.00 1.00 N ATOM 0 H ARG A 68 3.278 5.453 -7.834 1.00 1.00 H new ATOM 0 HA ARG A 68 0.824 4.732 -9.311 1.00 1.00 H new ATOM 0 HB2 ARG A 68 3.700 4.673 -10.314 1.00 1.00 H new ATOM 0 HB3 ARG A 68 2.428 3.720 -11.052 1.00 1.00 H new ATOM 0 HG2 ARG A 68 1.082 5.820 -11.417 1.00 1.00 H new ATOM 0 HG3 ARG A 68 2.377 6.764 -10.708 1.00 1.00 H new ATOM 0 HD2 ARG A 68 3.955 5.943 -12.466 1.00 1.00 H new ATOM 0 HD3 ARG A 68 2.680 4.965 -13.166 1.00 1.00 H new ATOM 0 HE ARG A 68 1.693 7.638 -13.023 1.00 1.00 H new ATOM 0 HH11 ARG A 68 4.297 5.822 -14.521 1.00 1.00 H new ATOM 0 HH12 ARG A 68 4.319 6.816 -15.982 1.00 1.00 H new ATOM 0 HH21 ARG A 68 1.713 8.883 -14.920 1.00 1.00 H new ATOM 0 HH22 ARG A 68 2.872 8.531 -16.206 1.00 1.00 H new ATOM 1059 N CYS A 69 1.113 2.321 -8.741 1.00 1.00 N ATOM 1060 CA CYS A 69 1.144 0.955 -8.218 1.00 1.00 C ATOM 1061 C CYS A 69 0.981 -0.027 -9.371 1.00 1.00 C ATOM 1062 O CYS A 69 -0.112 -0.162 -9.921 1.00 1.00 O ATOM 1063 CB CYS A 69 0.009 0.762 -7.201 1.00 1.00 C ATOM 1064 SG CYS A 69 0.417 -0.614 -6.100 1.00 1.00 S ATOM 0 H CYS A 69 0.285 2.533 -9.297 1.00 1.00 H new ATOM 0 HA CYS A 69 2.097 0.775 -7.721 1.00 1.00 H new ATOM 0 HB2 CYS A 69 -0.135 1.675 -6.623 1.00 1.00 H new ATOM 0 HB3 CYS A 69 -0.929 0.562 -7.719 1.00 1.00 H new ATOM 0 HG CYS A 69 -0.049 -0.371 -4.911 1.00 1.00 H new ATOM 1070 N VAL A 70 2.071 -0.704 -9.745 1.00 1.00 N ATOM 1071 CA VAL A 70 2.024 -1.660 -10.862 1.00 1.00 C ATOM 1072 C VAL A 70 2.201 -3.092 -10.375 1.00 1.00 C ATOM 1073 O VAL A 70 3.129 -3.398 -9.631 1.00 1.00 O ATOM 1074 CB VAL A 70 3.122 -1.329 -11.879 1.00 1.00 C ATOM 1075 CG1 VAL A 70 2.843 0.038 -12.503 1.00 1.00 C ATOM 1076 CG2 VAL A 70 4.482 -1.297 -11.182 1.00 1.00 C ATOM 0 H VAL A 70 2.984 -0.612 -9.301 1.00 1.00 H new ATOM 0 HA VAL A 70 1.045 -1.576 -11.333 1.00 1.00 H new ATOM 0 HB VAL A 70 3.132 -2.093 -12.656 1.00 1.00 H new ATOM 0 HG11 VAL A 70 3.624 0.274 -13.226 1.00 1.00 H new ATOM 0 HG12 VAL A 70 1.876 0.018 -13.006 1.00 1.00 H new ATOM 0 HG13 VAL A 70 2.830 0.799 -11.722 1.00 1.00 H new ATOM 0 HG21 VAL A 70 5.258 -1.061 -11.910 1.00 1.00 H new ATOM 0 HG22 VAL A 70 4.473 -0.536 -10.402 1.00 1.00 H new ATOM 0 HG23 VAL A 70 4.686 -2.271 -10.737 1.00 1.00 H new ATOM 1086 N GLN A 71 1.294 -3.965 -10.804 1.00 1.00 N ATOM 1087 CA GLN A 71 1.342 -5.369 -10.410 1.00 1.00 C ATOM 1088 C GLN A 71 2.361 -6.126 -11.256 1.00 1.00 C ATOM 1089 O GLN A 71 2.082 -6.500 -12.397 1.00 1.00 O ATOM 1090 CB GLN A 71 -0.046 -5.999 -10.579 1.00 1.00 C ATOM 1091 CG GLN A 71 -0.070 -7.396 -9.947 1.00 1.00 C ATOM 1092 CD GLN A 71 -0.089 -7.283 -8.427 1.00 1.00 C ATOM 1093 OE1 GLN A 71 0.740 -7.885 -7.747 1.00 1.00 O ATOM 1094 NE2 GLN A 71 -0.996 -6.545 -7.854 1.00 1.00 N ATOM 0 H GLN A 71 0.519 -3.726 -11.423 1.00 1.00 H new ATOM 0 HA GLN A 71 1.644 -5.431 -9.364 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -0.801 -5.367 -10.111 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -0.297 -6.066 -11.638 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -0.948 -7.944 -10.290 1.00 1.00 H new ATOM 0 HG3 GLN A 71 0.804 -7.963 -10.266 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -1.682 -6.047 -8.422 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -1.021 -6.465 -6.837 1.00 1.00 H new ATOM 1103 N GLU A 72 3.541 -6.351 -10.685 1.00 1.00 N ATOM 1104 CA GLU A 72 4.608 -7.069 -11.382 1.00 1.00 C ATOM 1105 C GLU A 72 4.650 -6.666 -12.853 1.00 1.00 C ATOM 1106 O GLU A 72 4.544 -7.506 -13.747 1.00 1.00 O ATOM 1107 CB GLU A 72 4.379 -8.574 -11.271 1.00 1.00 C ATOM 1108 CG GLU A 72 5.648 -9.321 -11.695 1.00 1.00 C ATOM 1109 CD GLU A 72 5.444 -10.825 -11.542 1.00 1.00 C ATOM 1110 OE1 GLU A 72 4.517 -11.211 -10.848 1.00 1.00 O ATOM 1111 OE2 GLU A 72 6.221 -11.570 -12.116 1.00 1.00 O ATOM 0 H GLU A 72 3.784 -6.047 -9.742 1.00 1.00 H new ATOM 0 HA GLU A 72 5.560 -6.811 -10.918 1.00 1.00 H new ATOM 0 HB2 GLU A 72 4.115 -8.837 -10.247 1.00 1.00 H new ATOM 0 HB3 GLU A 72 3.542 -8.872 -11.902 1.00 1.00 H new ATOM 0 HG2 GLU A 72 5.892 -9.082 -12.730 1.00 1.00 H new ATOM 0 HG3 GLU A 72 6.492 -8.996 -11.086 1.00 1.00 H new ATOM 1229 N ASP A 80 -5.609 -4.669 -12.307 1.00 1.00 N ATOM 1230 CA ASP A 80 -5.078 -5.118 -11.018 1.00 1.00 C ATOM 1231 C ASP A 80 -5.856 -6.336 -10.520 1.00 1.00 C ATOM 1232 O ASP A 80 -5.278 -7.278 -9.975 1.00 1.00 O ATOM 1233 CB ASP A 80 -5.184 -3.987 -9.990 1.00 1.00 C ATOM 1234 CG ASP A 80 -4.152 -2.902 -10.286 1.00 1.00 C ATOM 1235 OD1 ASP A 80 -3.203 -3.188 -10.997 1.00 1.00 O ATOM 1236 OD2 ASP A 80 -4.322 -1.800 -9.790 1.00 1.00 O ATOM 0 HA ASP A 80 -4.032 -5.394 -11.148 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -6.187 -3.560 -10.011 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -5.028 -4.383 -8.987 1.00 1.00 H new ATOM 1241 N ILE A 81 -7.168 -6.305 -10.718 1.00 1.00 N ATOM 1242 CA ILE A 81 -8.033 -7.402 -10.297 1.00 1.00 C ATOM 1243 C ILE A 81 -7.693 -8.681 -11.061 1.00 1.00 C ATOM 1244 O ILE A 81 -7.653 -9.768 -10.486 1.00 1.00 O ATOM 1245 CB ILE A 81 -9.498 -7.024 -10.533 1.00 1.00 C ATOM 1246 CG1 ILE A 81 -9.886 -5.902 -9.567 1.00 1.00 C ATOM 1247 CG2 ILE A 81 -10.398 -8.239 -10.290 1.00 1.00 C ATOM 1248 CD1 ILE A 81 -11.229 -5.306 -9.989 1.00 1.00 C ATOM 0 H ILE A 81 -7.658 -5.532 -11.168 1.00 1.00 H new ATOM 0 HA ILE A 81 -7.874 -7.584 -9.234 1.00 1.00 H new ATOM 0 HB ILE A 81 -9.624 -6.689 -11.563 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -9.952 -6.290 -8.550 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -9.118 -5.129 -9.564 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -11.438 -7.961 -10.460 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -10.120 -9.040 -10.974 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -10.277 -8.581 -9.262 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -11.505 -4.507 -9.301 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -11.147 -4.903 -10.999 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -11.994 -6.082 -9.969 1.00 1.00 H new ATOM 1260 N ALA A 82 -7.466 -8.541 -12.363 1.00 1.00 N ATOM 1261 CA ALA A 82 -7.146 -9.687 -13.210 1.00 1.00 C ATOM 1262 C ALA A 82 -5.992 -10.497 -12.625 1.00 1.00 C ATOM 1263 O ALA A 82 -5.860 -11.692 -12.896 1.00 1.00 O ATOM 1264 CB ALA A 82 -6.768 -9.209 -14.612 1.00 1.00 C ATOM 0 H ALA A 82 -7.497 -7.648 -12.855 1.00 1.00 H new ATOM 0 HA ALA A 82 -8.028 -10.325 -13.262 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -6.531 -10.069 -15.238 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -7.604 -8.663 -15.048 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -5.899 -8.554 -14.551 1.00 1.00 H new ATOM 1270 N SER A 83 -5.154 -9.843 -11.819 1.00 1.00 N ATOM 1271 CA SER A 83 -4.007 -10.506 -11.195 1.00 1.00 C ATOM 1272 C SER A 83 -4.241 -10.658 -9.696 1.00 1.00 C ATOM 1273 O SER A 83 -4.408 -9.670 -8.981 1.00 1.00 O ATOM 1274 CB SER A 83 -2.741 -9.685 -11.430 1.00 1.00 C ATOM 1275 OG SER A 83 -1.714 -10.141 -10.559 1.00 1.00 O ATOM 0 H SER A 83 -5.248 -8.855 -11.583 1.00 1.00 H new ATOM 0 HA SER A 83 -3.888 -11.493 -11.642 1.00 1.00 H new ATOM 0 HB2 SER A 83 -2.421 -9.779 -12.468 1.00 1.00 H new ATOM 0 HB3 SER A 83 -2.941 -8.628 -11.252 1.00 1.00 H new ATOM 0 HG SER A 83 -0.841 -10.004 -10.983 1.00 1.00 H new ATOM 1281 N ASN A 84 -4.246 -11.905 -9.232 1.00 1.00 N ATOM 1282 CA ASN A 84 -4.462 -12.197 -7.818 1.00 1.00 C ATOM 1283 C ASN A 84 -3.686 -13.448 -7.417 1.00 1.00 C ATOM 1284 O ASN A 84 -2.928 -13.997 -8.217 1.00 1.00 O ATOM 1285 CB ASN A 84 -5.954 -12.408 -7.557 1.00 1.00 C ATOM 1286 CG ASN A 84 -6.711 -11.088 -7.691 1.00 1.00 C ATOM 1287 OD1 ASN A 84 -6.135 -9.971 -7.340 1.00 1.00 O flip ATOM 1288 ND2 ASN A 84 -7.864 -11.077 -8.121 1.00 1.00 N flip ATOM 0 H ASN A 84 -4.103 -12.730 -9.815 1.00 1.00 H new ATOM 0 HA ASN A 84 -4.107 -11.355 -7.224 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -6.353 -13.137 -8.262 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -6.100 -12.818 -6.558 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -8.314 -11.950 -8.395 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -8.369 -10.195 -8.203 1.00 1.00 H new ATOM 1295 N SER A 85 -3.869 -13.889 -6.177 1.00 1.00 N ATOM 1296 CA SER A 85 -3.163 -15.069 -5.692 1.00 1.00 C ATOM 1297 C SER A 85 -1.668 -14.770 -5.608 1.00 1.00 C ATOM 1298 O SER A 85 -0.930 -14.983 -6.568 1.00 1.00 O ATOM 1299 CB SER A 85 -3.431 -16.258 -6.627 1.00 1.00 C ATOM 1300 OG SER A 85 -3.390 -17.466 -5.878 1.00 1.00 O ATOM 0 H SER A 85 -4.492 -13.454 -5.497 1.00 1.00 H new ATOM 0 HA SER A 85 -3.523 -15.329 -4.696 1.00 1.00 H new ATOM 0 HB2 SER A 85 -4.404 -16.147 -7.105 1.00 1.00 H new ATOM 0 HB3 SER A 85 -2.686 -16.285 -7.422 1.00 1.00 H new ATOM 0 HG SER A 85 -4.122 -17.472 -5.227 1.00 1.00 H new ATOM 1306 N GLY A 86 -1.231 -14.249 -4.464 1.00 1.00 N ATOM 1307 CA GLY A 86 0.175 -13.902 -4.299 1.00 1.00 C ATOM 1308 C GLY A 86 0.542 -12.801 -5.281 1.00 1.00 C ATOM 1309 O GLY A 86 1.228 -13.039 -6.277 1.00 1.00 O ATOM 0 H GLY A 86 -1.819 -14.061 -3.652 1.00 1.00 H new ATOM 0 HA2 GLY A 86 0.362 -13.570 -3.278 1.00 1.00 H new ATOM 0 HA3 GLY A 86 0.800 -14.779 -4.469 1.00 1.00 H new ATOM 1313 N CYS A 87 0.042 -11.597 -5.005 1.00 1.00 N ATOM 1314 CA CYS A 87 0.272 -10.444 -5.880 1.00 1.00 C ATOM 1315 C CYS A 87 1.491 -9.628 -5.433 1.00 1.00 C ATOM 1316 O CYS A 87 1.680 -9.371 -4.242 1.00 1.00 O ATOM 1317 CB CYS A 87 -0.985 -9.525 -5.895 1.00 1.00 C ATOM 1318 SG CYS A 87 -2.384 -10.354 -5.092 1.00 1.00 S ATOM 0 H CYS A 87 -0.525 -11.393 -4.182 1.00 1.00 H new ATOM 0 HA CYS A 87 0.465 -10.827 -6.882 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -0.765 -8.589 -5.381 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -1.246 -9.271 -6.923 1.00 1.00 H new ATOM 1323 N LYS A 88 2.279 -9.180 -6.412 1.00 1.00 N ATOM 1324 CA LYS A 88 3.449 -8.336 -6.147 1.00 1.00 C ATOM 1325 C LYS A 88 3.221 -6.983 -6.808 1.00 1.00 C ATOM 1326 O LYS A 88 2.886 -6.919 -7.991 1.00 1.00 O ATOM 1327 CB LYS A 88 4.728 -8.952 -6.730 1.00 1.00 C ATOM 1328 CG LYS A 88 5.074 -10.251 -5.998 1.00 1.00 C ATOM 1329 CD LYS A 88 6.129 -11.025 -6.800 1.00 1.00 C ATOM 1330 CE LYS A 88 7.380 -10.164 -6.987 1.00 1.00 C ATOM 1331 NZ LYS A 88 8.521 -11.026 -7.404 1.00 1.00 N ATOM 0 H LYS A 88 2.129 -9.388 -7.399 1.00 1.00 H new ATOM 0 HA LYS A 88 3.573 -8.240 -5.068 1.00 1.00 H new ATOM 0 HB2 LYS A 88 4.592 -9.151 -7.793 1.00 1.00 H new ATOM 0 HB3 LYS A 88 5.553 -8.246 -6.641 1.00 1.00 H new ATOM 0 HG2 LYS A 88 5.451 -10.029 -5.000 1.00 1.00 H new ATOM 0 HG3 LYS A 88 4.179 -10.860 -5.872 1.00 1.00 H new ATOM 0 HD2 LYS A 88 6.387 -11.948 -6.281 1.00 1.00 H new ATOM 0 HD3 LYS A 88 5.724 -11.308 -7.771 1.00 1.00 H new ATOM 0 HE2 LYS A 88 7.197 -9.397 -7.739 1.00 1.00 H new ATOM 0 HE3 LYS A 88 7.621 -9.648 -6.058 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 9.403 -10.476 -7.367 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 8.593 -11.841 -6.762 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 8.364 -11.364 -8.375 1.00 1.00 H new ATOM 1345 N ILE A 89 3.402 -5.900 -6.054 1.00 1.00 N ATOM 1346 CA ILE A 89 3.210 -4.551 -6.599 1.00 1.00 C ATOM 1347 C ILE A 89 4.464 -3.719 -6.372 1.00 1.00 C ATOM 1348 O ILE A 89 5.279 -4.038 -5.507 1.00 1.00 O ATOM 1349 CB ILE A 89 1.998 -3.863 -5.936 1.00 1.00 C ATOM 1350 CG1 ILE A 89 2.252 -3.680 -4.428 1.00 1.00 C ATOM 1351 CG2 ILE A 89 0.749 -4.719 -6.135 1.00 1.00 C ATOM 1352 CD1 ILE A 89 1.100 -2.913 -3.757 1.00 1.00 C ATOM 0 H ILE A 89 3.679 -5.926 -5.073 1.00 1.00 H new ATOM 0 HA ILE A 89 3.019 -4.633 -7.669 1.00 1.00 H new ATOM 0 HB ILE A 89 1.852 -2.886 -6.397 1.00 1.00 H new ATOM 0 HG12 ILE A 89 2.366 -4.655 -3.955 1.00 1.00 H new ATOM 0 HG13 ILE A 89 3.187 -3.141 -4.277 1.00 1.00 H new ATOM 0 HG21 ILE A 89 -0.105 -4.231 -5.666 1.00 1.00 H new ATOM 0 HG22 ILE A 89 0.557 -4.840 -7.201 1.00 1.00 H new ATOM 0 HG23 ILE A 89 0.902 -5.698 -5.680 1.00 1.00 H new ATOM 0 HD11 ILE A 89 1.309 -2.800 -2.693 1.00 1.00 H new ATOM 0 HD12 ILE A 89 1.003 -1.928 -4.214 1.00 1.00 H new ATOM 0 HD13 ILE A 89 0.170 -3.466 -3.887 1.00 1.00 H new ATOM 1364 N ARG A 90 4.610 -2.644 -7.143 1.00 1.00 N ATOM 1365 CA ARG A 90 5.770 -1.763 -7.008 1.00 1.00 C ATOM 1366 C ARG A 90 5.319 -0.316 -6.904 1.00 1.00 C ATOM 1367 O ARG A 90 4.351 0.093 -7.547 1.00 1.00 O ATOM 1368 CB ARG A 90 6.691 -1.922 -8.212 1.00 1.00 C ATOM 1369 CG ARG A 90 7.175 -3.367 -8.288 1.00 1.00 C ATOM 1370 CD ARG A 90 8.027 -3.552 -9.542 1.00 1.00 C ATOM 1371 NE ARG A 90 9.274 -2.802 -9.423 1.00 1.00 N ATOM 1372 CZ ARG A 90 10.130 -2.711 -10.440 1.00 1.00 C ATOM 1373 NH1 ARG A 90 9.840 -3.246 -11.596 1.00 1.00 N ATOM 1374 NH2 ARG A 90 11.259 -2.077 -10.283 1.00 1.00 N ATOM 0 H ARG A 90 3.945 -2.362 -7.863 1.00 1.00 H new ATOM 0 HA ARG A 90 6.311 -2.037 -6.102 1.00 1.00 H new ATOM 0 HB2 ARG A 90 6.162 -1.655 -9.127 1.00 1.00 H new ATOM 0 HB3 ARG A 90 7.541 -1.245 -8.126 1.00 1.00 H new ATOM 0 HG2 ARG A 90 7.757 -3.614 -7.400 1.00 1.00 H new ATOM 0 HG3 ARG A 90 6.323 -4.047 -8.310 1.00 1.00 H new ATOM 0 HD2 ARG A 90 8.244 -4.610 -9.690 1.00 1.00 H new ATOM 0 HD3 ARG A 90 7.474 -3.215 -10.419 1.00 1.00 H new ATOM 0 HE ARG A 90 9.495 -2.338 -8.542 1.00 1.00 H new ATOM 0 HH11 ARG A 90 8.955 -3.736 -11.723 1.00 1.00 H new ATOM 0 HH12 ARG A 90 10.499 -3.173 -12.371 1.00 1.00 H new ATOM 0 HH21 ARG A 90 11.485 -1.652 -9.383 1.00 1.00 H new ATOM 0 HH22 ARG A 90 11.916 -2.006 -11.060 1.00 1.00 H new ATOM 1388 N VAL A 91 6.023 0.450 -6.079 1.00 1.00 N ATOM 1389 CA VAL A 91 5.695 1.866 -5.874 1.00 1.00 C ATOM 1390 C VAL A 91 6.884 2.755 -6.218 1.00 1.00 C ATOM 1391 O VAL A 91 8.012 2.495 -5.800 1.00 1.00 O ATOM 1392 CB VAL A 91 5.295 2.098 -4.416 1.00 1.00 C ATOM 1393 CG1 VAL A 91 4.921 3.569 -4.197 1.00 1.00 C ATOM 1394 CG2 VAL A 91 4.094 1.211 -4.078 1.00 1.00 C ATOM 0 H VAL A 91 6.824 0.121 -5.540 1.00 1.00 H new ATOM 0 HA VAL A 91 4.865 2.123 -6.532 1.00 1.00 H new ATOM 0 HB VAL A 91 6.136 1.848 -3.769 1.00 1.00 H new ATOM 0 HG11 VAL A 91 4.638 3.721 -3.155 1.00 1.00 H new ATOM 0 HG12 VAL A 91 5.776 4.201 -4.437 1.00 1.00 H new ATOM 0 HG13 VAL A 91 4.083 3.831 -4.843 1.00 1.00 H new ATOM 0 HG21 VAL A 91 3.804 1.372 -3.040 1.00 1.00 H new ATOM 0 HG22 VAL A 91 3.259 1.464 -4.731 1.00 1.00 H new ATOM 0 HG23 VAL A 91 4.363 0.164 -4.222 1.00 1.00 H new ATOM 1404 N GLN A 92 6.615 3.812 -6.980 1.00 1.00 N ATOM 1405 CA GLN A 92 7.658 4.756 -7.381 1.00 1.00 C ATOM 1406 C GLN A 92 7.108 6.179 -7.390 1.00 1.00 C ATOM 1407 O GLN A 92 5.912 6.392 -7.592 1.00 1.00 O ATOM 1408 CB GLN A 92 8.176 4.397 -8.774 1.00 1.00 C ATOM 1409 CG GLN A 92 7.020 4.422 -9.774 1.00 1.00 C ATOM 1410 CD GLN A 92 7.509 3.975 -11.146 1.00 1.00 C ATOM 1411 OE1 GLN A 92 8.587 3.392 -11.263 1.00 1.00 O ATOM 1412 NE2 GLN A 92 6.776 4.213 -12.199 1.00 1.00 N ATOM 0 H GLN A 92 5.685 4.037 -7.333 1.00 1.00 H new ATOM 0 HA GLN A 92 8.477 4.697 -6.664 1.00 1.00 H new ATOM 0 HB2 GLN A 92 8.949 5.103 -9.079 1.00 1.00 H new ATOM 0 HB3 GLN A 92 8.635 3.409 -8.759 1.00 1.00 H new ATOM 0 HG2 GLN A 92 6.219 3.766 -9.433 1.00 1.00 H new ATOM 0 HG3 GLN A 92 6.604 5.428 -9.837 1.00 1.00 H new ATOM 0 HE21 GLN A 92 5.883 4.696 -12.100 1.00 1.00 H new ATOM 0 HE22 GLN A 92 7.096 3.916 -13.121 1.00 1.00 H new ATOM 1421 N GLY A 93 7.988 7.148 -7.173 1.00 1.00 N ATOM 1422 CA GLY A 93 7.582 8.548 -7.161 1.00 1.00 C ATOM 1423 C GLY A 93 8.799 9.461 -7.232 1.00 1.00 C ATOM 1424 O GLY A 93 9.927 9.018 -7.050 1.00 1.00 O ATOM 0 H GLY A 93 8.982 6.992 -7.004 1.00 1.00 H new ATOM 0 HA2 GLY A 93 6.921 8.748 -8.005 1.00 1.00 H new ATOM 0 HA3 GLY A 93 7.014 8.760 -6.255 1.00 1.00 H new ATOM 1483 N ARG A 97 11.726 6.478 -3.740 1.00 1.00 N ATOM 1484 CA ARG A 97 12.433 5.559 -4.641 1.00 1.00 C ATOM 1485 C ARG A 97 11.621 4.287 -4.857 1.00 1.00 C ATOM 1486 O ARG A 97 10.660 4.024 -4.135 1.00 1.00 O ATOM 1487 CB ARG A 97 13.799 5.183 -4.058 1.00 1.00 C ATOM 1488 CG ARG A 97 14.691 6.425 -3.990 1.00 1.00 C ATOM 1489 CD ARG A 97 16.030 6.059 -3.346 1.00 1.00 C ATOM 1490 NE ARG A 97 15.827 5.728 -1.940 1.00 1.00 N ATOM 1491 CZ ARG A 97 16.834 5.335 -1.165 1.00 1.00 C ATOM 1492 NH1 ARG A 97 18.025 5.169 -1.671 1.00 1.00 N ATOM 1493 NH2 ARG A 97 16.627 5.107 0.104 1.00 1.00 N ATOM 0 HA ARG A 97 12.570 6.067 -5.595 1.00 1.00 H new ATOM 0 HB2 ARG A 97 13.675 4.757 -3.062 1.00 1.00 H new ATOM 0 HB3 ARG A 97 14.270 4.418 -4.675 1.00 1.00 H new ATOM 0 HG2 ARG A 97 14.854 6.823 -4.991 1.00 1.00 H new ATOM 0 HG3 ARG A 97 14.199 7.207 -3.412 1.00 1.00 H new ATOM 0 HD2 ARG A 97 16.476 5.212 -3.868 1.00 1.00 H new ATOM 0 HD3 ARG A 97 16.727 6.892 -3.436 1.00 1.00 H new ATOM 0 HE ARG A 97 14.891 5.800 -1.542 1.00 1.00 H new ATOM 0 HH11 ARG A 97 18.186 5.341 -2.663 1.00 1.00 H new ATOM 0 HH12 ARG A 97 18.795 4.868 -1.074 1.00 1.00 H new ATOM 0 HH21 ARG A 97 15.695 5.230 0.499 1.00 1.00 H new ATOM 0 HH22 ARG A 97 17.398 4.806 0.700 1.00 1.00 H new ATOM 1507 N GLU A 98 12.015 3.498 -5.850 1.00 1.00 N ATOM 1508 CA GLU A 98 11.312 2.256 -6.135 1.00 1.00 C ATOM 1509 C GLU A 98 11.291 1.353 -4.908 1.00 1.00 C ATOM 1510 O GLU A 98 12.304 1.174 -4.231 1.00 1.00 O ATOM 1511 CB GLU A 98 11.980 1.520 -7.299 1.00 1.00 C ATOM 1512 CG GLU A 98 11.721 2.283 -8.595 1.00 1.00 C ATOM 1513 CD GLU A 98 12.467 1.621 -9.751 1.00 1.00 C ATOM 1514 OE1 GLU A 98 13.095 0.602 -9.517 1.00 1.00 O ATOM 1515 OE2 GLU A 98 12.399 2.144 -10.852 1.00 1.00 O ATOM 0 H GLU A 98 12.807 3.693 -6.463 1.00 1.00 H new ATOM 0 HA GLU A 98 10.286 2.505 -6.408 1.00 1.00 H new ATOM 0 HB2 GLU A 98 13.052 1.434 -7.122 1.00 1.00 H new ATOM 0 HB3 GLU A 98 11.588 0.506 -7.376 1.00 1.00 H new ATOM 0 HG2 GLU A 98 10.652 2.304 -8.806 1.00 1.00 H new ATOM 0 HG3 GLU A 98 12.045 3.318 -8.488 1.00 1.00 H new ATOM 1522 N ARG A 99 10.120 0.782 -4.638 1.00 1.00 N ATOM 1523 CA ARG A 99 9.928 -0.121 -3.499 1.00 1.00 C ATOM 1524 C ARG A 99 9.119 -1.340 -3.945 1.00 1.00 C ATOM 1525 O ARG A 99 8.137 -1.198 -4.673 1.00 1.00 O ATOM 1526 CB ARG A 99 9.178 0.612 -2.382 1.00 1.00 C ATOM 1527 CG ARG A 99 10.083 1.670 -1.746 1.00 1.00 C ATOM 1528 CD ARG A 99 9.289 2.438 -0.683 1.00 1.00 C ATOM 1529 NE ARG A 99 10.133 3.448 -0.054 1.00 1.00 N ATOM 1530 CZ ARG A 99 9.628 4.329 0.805 1.00 1.00 C ATOM 1531 NH1 ARG A 99 8.358 4.297 1.103 1.00 1.00 N ATOM 1532 NH2 ARG A 99 10.405 5.226 1.350 1.00 1.00 N ATOM 0 H ARG A 99 9.280 0.929 -5.197 1.00 1.00 H new ATOM 0 HA ARG A 99 10.900 -0.447 -3.127 1.00 1.00 H new ATOM 0 HB2 ARG A 99 8.281 1.084 -2.784 1.00 1.00 H new ATOM 0 HB3 ARG A 99 8.851 -0.101 -1.625 1.00 1.00 H new ATOM 0 HG2 ARG A 99 10.955 1.196 -1.295 1.00 1.00 H new ATOM 0 HG3 ARG A 99 10.452 2.356 -2.508 1.00 1.00 H new ATOM 0 HD2 ARG A 99 8.421 2.913 -1.140 1.00 1.00 H new ATOM 0 HD3 ARG A 99 8.914 1.746 0.071 1.00 1.00 H new ATOM 0 HE ARG A 99 11.128 3.479 -0.277 1.00 1.00 H new ATOM 0 HH11 ARG A 99 7.752 3.596 0.677 1.00 1.00 H new ATOM 0 HH12 ARG A 99 7.972 4.973 1.762 1.00 1.00 H new ATOM 0 HH21 ARG A 99 11.398 5.250 1.117 1.00 1.00 H new ATOM 0 HH22 ARG A 99 10.019 5.902 2.009 1.00 1.00 H new ATOM 1546 N ARG A 100 9.531 -2.537 -3.515 1.00 1.00 N ATOM 1547 CA ARG A 100 8.824 -3.771 -3.897 1.00 1.00 C ATOM 1548 C ARG A 100 8.028 -4.330 -2.721 1.00 1.00 C ATOM 1549 O ARG A 100 8.488 -4.325 -1.579 1.00 1.00 O ATOM 1550 CB ARG A 100 9.829 -4.816 -4.397 1.00 1.00 C ATOM 1551 CG ARG A 100 10.534 -4.281 -5.648 1.00 1.00 C ATOM 1552 CD ARG A 100 11.582 -5.293 -6.127 1.00 1.00 C ATOM 1553 NE ARG A 100 10.939 -6.428 -6.773 1.00 1.00 N ATOM 1554 CZ ARG A 100 11.661 -7.429 -7.271 1.00 1.00 C ATOM 1555 NH1 ARG A 100 12.950 -7.293 -7.432 1.00 1.00 N ATOM 1556 NH2 ARG A 100 11.074 -8.527 -7.656 1.00 1.00 N ATOM 0 H ARG A 100 10.339 -2.681 -2.910 1.00 1.00 H new ATOM 0 HA ARG A 100 8.125 -3.532 -4.699 1.00 1.00 H new ATOM 0 HB2 ARG A 100 10.560 -5.036 -3.619 1.00 1.00 H new ATOM 0 HB3 ARG A 100 9.316 -5.750 -4.626 1.00 1.00 H new ATOM 0 HG2 ARG A 100 9.805 -4.098 -6.437 1.00 1.00 H new ATOM 0 HG3 ARG A 100 11.011 -3.326 -5.427 1.00 1.00 H new ATOM 0 HD2 ARG A 100 12.269 -4.812 -6.824 1.00 1.00 H new ATOM 0 HD3 ARG A 100 12.176 -5.638 -5.281 1.00 1.00 H new ATOM 0 HE ARG A 100 9.922 -6.457 -6.845 1.00 1.00 H new ATOM 0 HH11 ARG A 100 13.406 -6.418 -7.176 1.00 1.00 H new ATOM 0 HH12 ARG A 100 13.500 -8.062 -7.814 1.00 1.00 H new ATOM 0 HH21 ARG A 100 10.061 -8.619 -7.576 1.00 1.00 H new ATOM 0 HH22 ARG A 100 11.627 -9.294 -8.038 1.00 1.00 H new ATOM 1570 N PHE A 101 6.817 -4.813 -3.016 1.00 1.00 N ATOM 1571 CA PHE A 101 5.934 -5.375 -1.990 1.00 1.00 C ATOM 1572 C PHE A 101 5.341 -6.693 -2.471 1.00 1.00 C ATOM 1573 O PHE A 101 5.172 -6.905 -3.669 1.00 1.00 O ATOM 1574 CB PHE A 101 4.783 -4.405 -1.701 1.00 1.00 C ATOM 1575 CG PHE A 101 5.319 -3.075 -1.233 1.00 1.00 C ATOM 1576 CD1 PHE A 101 5.615 -2.074 -2.167 1.00 1.00 C ATOM 1577 CD2 PHE A 101 5.513 -2.838 0.132 1.00 1.00 C ATOM 1578 CE1 PHE A 101 6.109 -0.839 -1.735 1.00 1.00 C ATOM 1579 CE2 PHE A 101 6.006 -1.601 0.564 1.00 1.00 C ATOM 1580 CZ PHE A 101 6.305 -0.601 -0.371 1.00 1.00 C ATOM 0 H PHE A 101 6.426 -4.826 -3.958 1.00 1.00 H new ATOM 0 HA PHE A 101 6.521 -5.540 -1.087 1.00 1.00 H new ATOM 0 HB2 PHE A 101 4.182 -4.266 -2.600 1.00 1.00 H new ATOM 0 HB3 PHE A 101 4.126 -4.827 -0.941 1.00 1.00 H new ATOM 0 HD1 PHE A 101 5.462 -2.256 -3.220 1.00 1.00 H new ATOM 0 HD2 PHE A 101 5.283 -3.609 0.852 1.00 1.00 H new ATOM 0 HE1 PHE A 101 6.339 -0.068 -2.456 1.00 1.00 H new ATOM 0 HE2 PHE A 101 6.156 -1.417 1.618 1.00 1.00 H new ATOM 0 HZ PHE A 101 6.687 0.353 -0.038 1.00 1.00 H new ATOM 1590 N GLU A 102 5.016 -7.578 -1.530 1.00 1.00 N ATOM 1591 CA GLU A 102 4.430 -8.877 -1.875 1.00 1.00 C ATOM 1592 C GLU A 102 3.276 -9.222 -0.934 1.00 1.00 C ATOM 1593 O GLU A 102 3.437 -9.212 0.286 1.00 1.00 O ATOM 1594 CB GLU A 102 5.511 -9.951 -1.784 1.00 1.00 C ATOM 1595 CG GLU A 102 4.942 -11.309 -2.214 1.00 1.00 C ATOM 1596 CD GLU A 102 6.032 -12.376 -2.145 1.00 1.00 C ATOM 1597 OE1 GLU A 102 7.072 -12.095 -1.575 1.00 1.00 O ATOM 1598 OE2 GLU A 102 5.806 -13.460 -2.660 1.00 1.00 O ATOM 0 H GLU A 102 5.146 -7.424 -0.530 1.00 1.00 H new ATOM 0 HA GLU A 102 4.037 -8.829 -2.890 1.00 1.00 H new ATOM 0 HB2 GLU A 102 6.355 -9.684 -2.420 1.00 1.00 H new ATOM 0 HB3 GLU A 102 5.888 -10.013 -0.763 1.00 1.00 H new ATOM 0 HG2 GLU A 102 4.109 -11.585 -1.567 1.00 1.00 H new ATOM 0 HG3 GLU A 102 4.549 -11.243 -3.229 1.00 1.00 H new ATOM 1605 N ILE A 103 2.112 -9.545 -1.508 1.00 1.00 N ATOM 1606 CA ILE A 103 0.935 -9.904 -0.714 1.00 1.00 C ATOM 1607 C ILE A 103 0.648 -11.402 -0.882 1.00 1.00 C ATOM 1608 O ILE A 103 -0.076 -11.792 -1.798 1.00 1.00 O ATOM 1609 CB ILE A 103 -0.285 -9.101 -1.191 1.00 1.00 C ATOM 1610 CG1 ILE A 103 0.044 -7.590 -1.241 1.00 1.00 C ATOM 1611 CG2 ILE A 103 -1.468 -9.349 -0.248 1.00 1.00 C ATOM 1612 CD1 ILE A 103 -0.094 -6.937 0.144 1.00 1.00 C ATOM 0 H ILE A 103 1.961 -9.565 -2.517 1.00 1.00 H new ATOM 0 HA ILE A 103 1.128 -9.677 0.334 1.00 1.00 H new ATOM 0 HB ILE A 103 -0.549 -9.430 -2.196 1.00 1.00 H new ATOM 0 HG12 ILE A 103 1.060 -7.450 -1.611 1.00 1.00 H new ATOM 0 HG13 ILE A 103 -0.623 -7.094 -1.946 1.00 1.00 H new ATOM 0 HG21 ILE A 103 -2.331 -8.778 -0.589 1.00 1.00 H new ATOM 0 HG22 ILE A 103 -1.714 -10.411 -0.244 1.00 1.00 H new ATOM 0 HG23 ILE A 103 -1.201 -9.035 0.761 1.00 1.00 H new ATOM 0 HD11 ILE A 103 0.145 -5.876 0.071 1.00 1.00 H new ATOM 0 HD12 ILE A 103 -1.117 -7.055 0.502 1.00 1.00 H new ATOM 0 HD13 ILE A 103 0.592 -7.416 0.842 1.00 1.00 H new ATOM 1624 N PRO A 104 1.218 -12.257 -0.054 1.00 1.00 N ATOM 1625 CA PRO A 104 1.013 -13.731 -0.181 1.00 1.00 C ATOM 1626 C PRO A 104 -0.403 -14.166 0.195 1.00 1.00 C ATOM 1627 O PRO A 104 -0.823 -15.277 -0.128 1.00 1.00 O ATOM 1628 CB PRO A 104 2.068 -14.334 0.760 1.00 1.00 C ATOM 1629 CG PRO A 104 2.338 -13.275 1.782 1.00 1.00 C ATOM 1630 CD PRO A 104 2.097 -11.927 1.090 1.00 1.00 C ATOM 0 HA PRO A 104 1.125 -14.069 -1.211 1.00 1.00 H new ATOM 0 HB2 PRO A 104 1.701 -15.248 1.228 1.00 1.00 H new ATOM 0 HB3 PRO A 104 2.976 -14.596 0.216 1.00 1.00 H new ATOM 0 HG2 PRO A 104 1.681 -13.391 2.644 1.00 1.00 H new ATOM 0 HG3 PRO A 104 3.362 -13.344 2.150 1.00 1.00 H new ATOM 0 HD2 PRO A 104 1.623 -11.213 1.763 1.00 1.00 H new ATOM 0 HD3 PRO A 104 3.033 -11.478 0.757 1.00 1.00 H new ATOM 1638 N ASP A 105 -1.137 -13.286 0.870 1.00 1.00 N ATOM 1639 CA ASP A 105 -2.507 -13.593 1.275 1.00 1.00 C ATOM 1640 C ASP A 105 -3.473 -13.151 0.184 1.00 1.00 C ATOM 1641 O ASP A 105 -3.696 -11.961 -0.017 1.00 1.00 O ATOM 1642 CB ASP A 105 -2.826 -12.883 2.593 1.00 1.00 C ATOM 1643 CG ASP A 105 -2.111 -13.578 3.749 1.00 1.00 C ATOM 1644 OD1 ASP A 105 -1.633 -14.682 3.549 1.00 1.00 O ATOM 1645 OD2 ASP A 105 -2.048 -12.993 4.818 1.00 1.00 O ATOM 0 H ASP A 105 -0.810 -12.360 1.147 1.00 1.00 H new ATOM 0 HA ASP A 105 -2.613 -14.668 1.423 1.00 1.00 H new ATOM 0 HB2 ASP A 105 -2.515 -11.840 2.538 1.00 1.00 H new ATOM 0 HB3 ASP A 105 -3.902 -12.886 2.766 1.00 1.00 H new ATOM 1650 N GLU A 106 -4.016 -14.127 -0.533 1.00 1.00 N ATOM 1651 CA GLU A 106 -4.929 -13.852 -1.635 1.00 1.00 C ATOM 1652 C GLU A 106 -6.179 -13.109 -1.171 1.00 1.00 C ATOM 1653 O GLU A 106 -6.518 -12.065 -1.717 1.00 1.00 O ATOM 1654 CB GLU A 106 -5.336 -15.172 -2.299 1.00 1.00 C ATOM 1655 CG GLU A 106 -6.183 -14.894 -3.542 1.00 1.00 C ATOM 1656 CD GLU A 106 -6.533 -16.209 -4.230 1.00 1.00 C ATOM 1657 OE1 GLU A 106 -5.905 -17.206 -3.913 1.00 1.00 O ATOM 1658 OE2 GLU A 106 -7.425 -16.202 -5.063 1.00 1.00 O ATOM 0 H GLU A 106 -3.839 -15.118 -0.370 1.00 1.00 H new ATOM 0 HA GLU A 106 -4.409 -13.212 -2.347 1.00 1.00 H new ATOM 0 HB2 GLU A 106 -4.447 -15.739 -2.574 1.00 1.00 H new ATOM 0 HB3 GLU A 106 -5.899 -15.784 -1.595 1.00 1.00 H new ATOM 0 HG2 GLU A 106 -7.094 -14.365 -3.262 1.00 1.00 H new ATOM 0 HG3 GLU A 106 -5.637 -14.247 -4.229 1.00 1.00 H new ATOM 1665 N GLU A 107 -6.868 -13.649 -0.171 1.00 1.00 N ATOM 1666 CA GLU A 107 -8.084 -13.008 0.322 1.00 1.00 C ATOM 1667 C GLU A 107 -7.818 -11.549 0.671 1.00 1.00 C ATOM 1668 O GLU A 107 -8.605 -10.668 0.325 1.00 1.00 O ATOM 1669 CB GLU A 107 -8.630 -13.761 1.542 1.00 1.00 C ATOM 1670 CG GLU A 107 -7.621 -13.714 2.691 1.00 1.00 C ATOM 1671 CD GLU A 107 -8.091 -14.616 3.827 1.00 1.00 C ATOM 1672 OE1 GLU A 107 -8.560 -15.704 3.538 1.00 1.00 O ATOM 1673 OE2 GLU A 107 -7.980 -14.204 4.971 1.00 1.00 O ATOM 0 H GLU A 107 -6.613 -14.513 0.307 1.00 1.00 H new ATOM 0 HA GLU A 107 -8.834 -13.040 -0.468 1.00 1.00 H new ATOM 0 HB2 GLU A 107 -9.574 -13.317 1.859 1.00 1.00 H new ATOM 0 HB3 GLU A 107 -8.839 -14.797 1.275 1.00 1.00 H new ATOM 0 HG2 GLU A 107 -6.641 -14.036 2.340 1.00 1.00 H new ATOM 0 HG3 GLU A 107 -7.511 -12.690 3.049 1.00 1.00 H new ATOM 1680 N HIS A 108 -6.702 -11.297 1.336 1.00 1.00 N ATOM 1681 CA HIS A 108 -6.339 -9.935 1.706 1.00 1.00 C ATOM 1682 C HIS A 108 -5.987 -9.119 0.463 1.00 1.00 C ATOM 1683 O HIS A 108 -6.286 -7.927 0.386 1.00 1.00 O ATOM 1684 CB HIS A 108 -5.136 -9.957 2.648 1.00 1.00 C ATOM 1685 CG HIS A 108 -5.511 -10.582 3.968 1.00 1.00 C ATOM 1686 ND1 HIS A 108 -4.563 -11.134 4.819 1.00 1.00 N ATOM 1687 CD2 HIS A 108 -6.719 -10.745 4.605 1.00 1.00 C ATOM 1688 CE1 HIS A 108 -5.209 -11.596 5.905 1.00 1.00 C ATOM 1689 NE2 HIS A 108 -6.524 -11.384 5.824 1.00 1.00 N ATOM 0 H HIS A 108 -6.035 -12.011 1.630 1.00 1.00 H new ATOM 0 HA HIS A 108 -7.191 -9.475 2.206 1.00 1.00 H new ATOM 0 HB2 HIS A 108 -4.320 -10.518 2.192 1.00 1.00 H new ATOM 0 HB3 HIS A 108 -4.774 -8.942 2.809 1.00 1.00 H new ATOM 0 HD1 HIS A 108 -3.558 -11.181 4.651 1.00 1.00 H new ATOM 0 HD2 HIS A 108 -7.675 -10.425 4.217 1.00 1.00 H new ATOM 0 HE1 HIS A 108 -4.723 -12.079 6.740 1.00 1.00 H new ATOM 1697 N CYS A 109 -5.340 -9.769 -0.503 1.00 1.00 N ATOM 1698 CA CYS A 109 -4.940 -9.097 -1.735 1.00 1.00 C ATOM 1699 C CYS A 109 -6.162 -8.617 -2.511 1.00 1.00 C ATOM 1700 O CYS A 109 -6.120 -7.581 -3.166 1.00 1.00 O ATOM 1701 CB CYS A 109 -4.090 -10.049 -2.606 1.00 1.00 C ATOM 1702 SG CYS A 109 -2.900 -9.100 -3.588 1.00 1.00 S ATOM 0 H CYS A 109 -5.083 -10.755 -0.456 1.00 1.00 H new ATOM 0 HA CYS A 109 -4.339 -8.226 -1.474 1.00 1.00 H new ATOM 0 HB2 CYS A 109 -3.563 -10.762 -1.971 1.00 1.00 H new ATOM 0 HB3 CYS A 109 -4.738 -10.627 -3.265 1.00 1.00 H new ATOM 1707 N LEU A 110 -7.245 -9.378 -2.451 1.00 1.00 N ATOM 1708 CA LEU A 110 -8.449 -9.000 -3.178 1.00 1.00 C ATOM 1709 C LEU A 110 -9.003 -7.671 -2.682 1.00 1.00 C ATOM 1710 O LEU A 110 -9.351 -6.803 -3.479 1.00 1.00 O ATOM 1711 CB LEU A 110 -9.525 -10.074 -3.007 1.00 1.00 C ATOM 1712 CG LEU A 110 -9.092 -11.378 -3.685 1.00 1.00 C ATOM 1713 CD1 LEU A 110 -10.092 -12.478 -3.319 1.00 1.00 C ATOM 1714 CD2 LEU A 110 -9.051 -11.200 -5.214 1.00 1.00 C ATOM 0 H LEU A 110 -7.316 -10.245 -1.918 1.00 1.00 H new ATOM 0 HA LEU A 110 -8.179 -8.900 -4.229 1.00 1.00 H new ATOM 0 HB2 LEU A 110 -9.706 -10.251 -1.947 1.00 1.00 H new ATOM 0 HB3 LEU A 110 -10.465 -9.728 -3.437 1.00 1.00 H new ATOM 0 HG LEU A 110 -8.094 -11.651 -3.343 1.00 1.00 H new ATOM 0 HD11 LEU A 110 -9.796 -13.412 -3.795 1.00 1.00 H new ATOM 0 HD12 LEU A 110 -10.107 -12.611 -2.237 1.00 1.00 H new ATOM 0 HD13 LEU A 110 -11.087 -12.195 -3.663 1.00 1.00 H new ATOM 0 HD21 LEU A 110 -8.742 -12.135 -5.681 1.00 1.00 H new ATOM 0 HD22 LEU A 110 -10.042 -10.925 -5.575 1.00 1.00 H new ATOM 0 HD23 LEU A 110 -8.340 -10.414 -5.470 1.00 1.00 H new ATOM 1726 N LYS A 111 -9.087 -7.514 -1.368 1.00 1.00 N ATOM 1727 CA LYS A 111 -9.614 -6.275 -0.813 1.00 1.00 C ATOM 1728 C LYS A 111 -8.666 -5.114 -1.093 1.00 1.00 C ATOM 1729 O LYS A 111 -9.092 -4.013 -1.448 1.00 1.00 O ATOM 1730 CB LYS A 111 -9.824 -6.407 0.695 1.00 1.00 C ATOM 1731 CG LYS A 111 -10.966 -7.384 0.965 1.00 1.00 C ATOM 1732 CD LYS A 111 -11.133 -7.575 2.474 1.00 1.00 C ATOM 1733 CE LYS A 111 -12.213 -8.627 2.727 1.00 1.00 C ATOM 1734 NZ LYS A 111 -13.513 -8.147 2.175 1.00 1.00 N ATOM 0 H LYS A 111 -8.804 -8.212 -0.680 1.00 1.00 H new ATOM 0 HA LYS A 111 -10.573 -6.076 -1.291 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -8.909 -6.760 1.171 1.00 1.00 H new ATOM 0 HB3 LYS A 111 -10.054 -5.433 1.128 1.00 1.00 H new ATOM 0 HG2 LYS A 111 -11.892 -7.006 0.532 1.00 1.00 H new ATOM 0 HG3 LYS A 111 -10.759 -8.342 0.488 1.00 1.00 H new ATOM 0 HD2 LYS A 111 -10.190 -7.889 2.920 1.00 1.00 H new ATOM 0 HD3 LYS A 111 -11.409 -6.631 2.944 1.00 1.00 H new ATOM 0 HE2 LYS A 111 -11.933 -9.571 2.259 1.00 1.00 H new ATOM 0 HE3 LYS A 111 -12.307 -8.817 3.796 1.00 1.00 H new ATOM 0 HZ1 LYS A 111 -14.292 -8.691 2.598 1.00 1.00 H new ATOM 0 HZ2 LYS A 111 -13.634 -7.139 2.399 1.00 1.00 H new ATOM 0 HZ3 LYS A 111 -13.521 -8.276 1.143 1.00 1.00 H new ATOM 1748 N PHE A 112 -7.378 -5.381 -0.911 1.00 1.00 N ATOM 1749 CA PHE A 112 -6.341 -4.380 -1.123 1.00 1.00 C ATOM 1750 C PHE A 112 -6.323 -3.906 -2.574 1.00 1.00 C ATOM 1751 O PHE A 112 -6.298 -2.706 -2.842 1.00 1.00 O ATOM 1752 CB PHE A 112 -4.982 -4.995 -0.754 1.00 1.00 C ATOM 1753 CG PHE A 112 -3.850 -4.118 -1.252 1.00 1.00 C ATOM 1754 CD1 PHE A 112 -3.596 -2.881 -0.649 1.00 1.00 C ATOM 1755 CD2 PHE A 112 -3.063 -4.548 -2.327 1.00 1.00 C ATOM 1756 CE1 PHE A 112 -2.551 -2.077 -1.122 1.00 1.00 C ATOM 1757 CE2 PHE A 112 -2.025 -3.746 -2.800 1.00 1.00 C ATOM 1758 CZ PHE A 112 -1.768 -2.509 -2.200 1.00 1.00 C ATOM 0 H PHE A 112 -7.025 -6.291 -0.614 1.00 1.00 H new ATOM 0 HA PHE A 112 -6.546 -3.514 -0.493 1.00 1.00 H new ATOM 0 HB2 PHE A 112 -4.911 -5.112 0.327 1.00 1.00 H new ATOM 0 HB3 PHE A 112 -4.897 -5.991 -1.189 1.00 1.00 H new ATOM 0 HD1 PHE A 112 -4.204 -2.547 0.179 1.00 1.00 H new ATOM 0 HD2 PHE A 112 -3.260 -5.503 -2.791 1.00 1.00 H new ATOM 0 HE1 PHE A 112 -2.349 -1.124 -0.656 1.00 1.00 H new ATOM 0 HE2 PHE A 112 -1.420 -4.080 -3.630 1.00 1.00 H new ATOM 0 HZ PHE A 112 -0.966 -1.887 -2.568 1.00 1.00 H new ATOM 1768 N LEU A 113 -6.322 -4.852 -3.504 1.00 1.00 N ATOM 1769 CA LEU A 113 -6.285 -4.507 -4.918 1.00 1.00 C ATOM 1770 C LEU A 113 -7.543 -3.761 -5.343 1.00 1.00 C ATOM 1771 O LEU A 113 -7.469 -2.797 -6.103 1.00 1.00 O ATOM 1772 CB LEU A 113 -6.107 -5.776 -5.751 1.00 1.00 C ATOM 1773 CG LEU A 113 -4.705 -6.360 -5.511 1.00 1.00 C ATOM 1774 CD1 LEU A 113 -4.610 -7.724 -6.198 1.00 1.00 C ATOM 1775 CD2 LEU A 113 -3.623 -5.417 -6.075 1.00 1.00 C ATOM 0 H LEU A 113 -6.346 -5.853 -3.308 1.00 1.00 H new ATOM 0 HA LEU A 113 -5.438 -3.842 -5.087 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -6.868 -6.509 -5.482 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -6.241 -5.550 -6.809 1.00 1.00 H new ATOM 0 HG LEU A 113 -4.541 -6.470 -4.439 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -3.619 -8.146 -6.033 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -5.363 -8.394 -5.783 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -4.780 -7.605 -7.268 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -2.637 -5.846 -5.896 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -3.774 -5.289 -7.147 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -3.692 -4.448 -5.581 1.00 1.00 H new ATOM 1787 N SER A 114 -8.692 -4.207 -4.858 1.00 1.00 N ATOM 1788 CA SER A 114 -9.953 -3.565 -5.208 1.00 1.00 C ATOM 1789 C SER A 114 -9.998 -2.125 -4.701 1.00 1.00 C ATOM 1790 O SER A 114 -10.419 -1.216 -5.416 1.00 1.00 O ATOM 1791 CB SER A 114 -11.110 -4.354 -4.600 1.00 1.00 C ATOM 1792 OG SER A 114 -10.955 -4.408 -3.188 1.00 1.00 O ATOM 0 H SER A 114 -8.779 -5.003 -4.227 1.00 1.00 H new ATOM 0 HA SER A 114 -10.040 -3.549 -6.294 1.00 1.00 H new ATOM 0 HB2 SER A 114 -12.059 -3.883 -4.855 1.00 1.00 H new ATOM 0 HB3 SER A 114 -11.134 -5.362 -5.013 1.00 1.00 H new ATOM 0 HG SER A 114 -10.016 -4.250 -2.956 1.00 1.00 H new ATOM 1798 N ALA A 115 -9.570 -1.929 -3.460 1.00 1.00 N ATOM 1799 CA ALA A 115 -9.575 -0.598 -2.858 1.00 1.00 C ATOM 1800 C ALA A 115 -8.589 0.340 -3.572 1.00 1.00 C ATOM 1801 O ALA A 115 -8.936 1.470 -3.918 1.00 1.00 O ATOM 1802 CB ALA A 115 -9.234 -0.711 -1.360 1.00 1.00 C ATOM 0 H ALA A 115 -9.217 -2.668 -2.853 1.00 1.00 H new ATOM 0 HA ALA A 115 -10.571 -0.168 -2.968 1.00 1.00 H new ATOM 0 HB1 ALA A 115 -9.238 0.282 -0.910 1.00 1.00 H new ATOM 0 HB2 ALA A 115 -9.976 -1.337 -0.864 1.00 1.00 H new ATOM 0 HB3 ALA A 115 -8.247 -1.158 -1.244 1.00 1.00 H new ATOM 1808 N VAL A 116 -7.366 -0.137 -3.786 1.00 1.00 N ATOM 1809 CA VAL A 116 -6.339 0.660 -4.460 1.00 1.00 C ATOM 1810 C VAL A 116 -6.725 0.926 -5.913 1.00 1.00 C ATOM 1811 O VAL A 116 -6.546 2.035 -6.419 1.00 1.00 O ATOM 1812 CB VAL A 116 -4.987 -0.060 -4.396 1.00 1.00 C ATOM 1813 CG1 VAL A 116 -3.960 0.669 -5.266 1.00 1.00 C ATOM 1814 CG2 VAL A 116 -4.488 -0.077 -2.949 1.00 1.00 C ATOM 0 H VAL A 116 -7.060 -1.068 -3.504 1.00 1.00 H new ATOM 0 HA VAL A 116 -6.256 1.618 -3.947 1.00 1.00 H new ATOM 0 HB VAL A 116 -5.112 -1.079 -4.761 1.00 1.00 H new ATOM 0 HG11 VAL A 116 -3.004 0.149 -5.213 1.00 1.00 H new ATOM 0 HG12 VAL A 116 -4.306 0.687 -6.299 1.00 1.00 H new ATOM 0 HG13 VAL A 116 -3.838 1.691 -4.906 1.00 1.00 H new ATOM 0 HG21 VAL A 116 -3.527 -0.589 -2.902 1.00 1.00 H new ATOM 0 HG22 VAL A 116 -4.372 0.946 -2.592 1.00 1.00 H new ATOM 0 HG23 VAL A 116 -5.209 -0.601 -2.322 1.00 1.00 H new ATOM 1824 N LEU A 117 -7.245 -0.095 -6.581 1.00 1.00 N ATOM 1825 CA LEU A 117 -7.640 0.047 -7.973 1.00 1.00 C ATOM 1826 C LEU A 117 -8.676 1.148 -8.111 1.00 1.00 C ATOM 1827 O LEU A 117 -8.600 1.979 -9.013 1.00 1.00 O ATOM 1828 CB LEU A 117 -8.236 -1.273 -8.472 1.00 1.00 C ATOM 1829 CG LEU A 117 -8.766 -1.116 -9.903 1.00 1.00 C ATOM 1830 CD1 LEU A 117 -7.651 -0.604 -10.824 1.00 1.00 C ATOM 1831 CD2 LEU A 117 -9.267 -2.477 -10.393 1.00 1.00 C ATOM 0 H LEU A 117 -7.402 -1.022 -6.185 1.00 1.00 H new ATOM 0 HA LEU A 117 -6.762 0.304 -8.566 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -7.478 -2.055 -8.443 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -9.044 -1.587 -7.811 1.00 1.00 H new ATOM 0 HG LEU A 117 -9.583 -0.395 -9.917 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -8.037 -0.496 -11.838 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -7.298 0.363 -10.465 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -6.825 -1.315 -10.825 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -9.647 -2.380 -11.410 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -8.446 -3.194 -10.379 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -10.066 -2.828 -9.739 1.00 1.00 H new ATOM 1843 N ALA A 118 -9.644 1.142 -7.214 1.00 1.00 N ATOM 1844 CA ALA A 118 -10.696 2.144 -7.243 1.00 1.00 C ATOM 1845 C ALA A 118 -10.107 3.540 -7.065 1.00 1.00 C ATOM 1846 O ALA A 118 -10.537 4.491 -7.718 1.00 1.00 O ATOM 1847 CB ALA A 118 -11.713 1.864 -6.135 1.00 1.00 C ATOM 0 H ALA A 118 -9.725 0.460 -6.460 1.00 1.00 H new ATOM 0 HA ALA A 118 -11.196 2.096 -8.210 1.00 1.00 H new ATOM 0 HB1 ALA A 118 -12.499 2.619 -6.163 1.00 1.00 H new ATOM 0 HB2 ALA A 118 -12.152 0.878 -6.285 1.00 1.00 H new ATOM 0 HB3 ALA A 118 -11.214 1.895 -5.167 1.00 1.00 H new ATOM 1853 N ALA A 119 -9.120 3.657 -6.184 1.00 1.00 N ATOM 1854 CA ALA A 119 -8.484 4.947 -5.942 1.00 1.00 C ATOM 1855 C ALA A 119 -7.753 5.435 -7.192 1.00 1.00 C ATOM 1856 O ALA A 119 -7.903 6.585 -7.596 1.00 1.00 O ATOM 1857 CB ALA A 119 -7.495 4.833 -4.779 1.00 1.00 C ATOM 0 H ALA A 119 -8.746 2.885 -5.632 1.00 1.00 H new ATOM 0 HA ALA A 119 -9.261 5.669 -5.689 1.00 1.00 H new ATOM 0 HB1 ALA A 119 -7.025 5.801 -4.605 1.00 1.00 H new ATOM 0 HB2 ALA A 119 -8.026 4.521 -3.880 1.00 1.00 H new ATOM 0 HB3 ALA A 119 -6.730 4.096 -5.023 1.00 1.00 H new ATOM 1863 N GLN A 120 -6.963 4.551 -7.802 1.00 1.00 N ATOM 1864 CA GLN A 120 -6.215 4.911 -9.005 1.00 1.00 C ATOM 1865 C GLN A 120 -7.159 5.151 -10.188 1.00 1.00 C ATOM 1866 O GLN A 120 -6.955 6.075 -10.977 1.00 1.00 O ATOM 1867 CB GLN A 120 -5.202 3.803 -9.346 1.00 1.00 C ATOM 1868 CG GLN A 120 -3.961 3.924 -8.451 1.00 1.00 C ATOM 1869 CD GLN A 120 -3.108 5.101 -8.905 1.00 1.00 C ATOM 1870 OE1 GLN A 120 -3.039 5.394 -10.099 1.00 1.00 O ATOM 1871 NE2 GLN A 120 -2.445 5.790 -8.024 1.00 1.00 N ATOM 0 H GLN A 120 -6.826 3.591 -7.487 1.00 1.00 H new ATOM 0 HA GLN A 120 -5.677 5.838 -8.810 1.00 1.00 H new ATOM 0 HB2 GLN A 120 -5.663 2.825 -9.210 1.00 1.00 H new ATOM 0 HB3 GLN A 120 -4.912 3.876 -10.394 1.00 1.00 H new ATOM 0 HG2 GLN A 120 -4.263 4.061 -7.413 1.00 1.00 H new ATOM 0 HG3 GLN A 120 -3.379 3.003 -8.495 1.00 1.00 H new ATOM 0 HE21 GLN A 120 -2.504 5.545 -7.036 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -1.866 6.575 -8.321 1.00 1.00 H new ATOM 1880 N LYS A 121 -8.189 4.325 -10.302 1.00 1.00 N ATOM 1881 CA LYS A 121 -9.155 4.462 -11.381 1.00 1.00 C ATOM 1882 C LYS A 121 -9.837 5.820 -11.303 1.00 1.00 C ATOM 1883 O LYS A 121 -9.993 6.512 -12.312 1.00 1.00 O ATOM 1884 CB LYS A 121 -10.188 3.347 -11.247 1.00 1.00 C ATOM 1885 CG LYS A 121 -11.197 3.404 -12.388 1.00 1.00 C ATOM 1886 CD LYS A 121 -12.208 2.283 -12.174 1.00 1.00 C ATOM 1887 CE LYS A 121 -13.223 2.272 -13.310 1.00 1.00 C ATOM 1888 NZ LYS A 121 -14.125 3.457 -13.209 1.00 1.00 N ATOM 0 H LYS A 121 -8.377 3.554 -9.661 1.00 1.00 H new ATOM 0 HA LYS A 121 -8.651 4.388 -12.344 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -9.687 2.379 -11.247 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -10.706 3.438 -10.292 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -11.698 4.372 -12.406 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -10.695 3.287 -13.348 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -11.694 1.323 -12.126 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -12.718 2.420 -11.221 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -12.706 2.281 -14.269 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -13.811 1.355 -13.273 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -14.930 3.336 -13.856 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -14.475 3.545 -12.233 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -13.599 4.316 -13.467 1.00 1.00 H new ATOM 1902 N ALA A 122 -10.242 6.192 -10.095 1.00 1.00 N ATOM 1903 CA ALA A 122 -10.913 7.471 -9.879 1.00 1.00 C ATOM 1904 C ALA A 122 -10.010 8.645 -10.264 1.00 1.00 C ATOM 1905 O ALA A 122 -10.468 9.608 -10.879 1.00 1.00 O ATOM 1906 CB ALA A 122 -11.324 7.606 -8.408 1.00 1.00 C ATOM 0 H ALA A 122 -10.119 5.630 -9.253 1.00 1.00 H new ATOM 0 HA ALA A 122 -11.799 7.494 -10.514 1.00 1.00 H new ATOM 0 HB1 ALA A 122 -11.824 8.563 -8.256 1.00 1.00 H new ATOM 0 HB2 ALA A 122 -12.004 6.796 -8.144 1.00 1.00 H new ATOM 0 HB3 ALA A 122 -10.437 7.556 -7.776 1.00 1.00 H new ATOM 1912 N GLN A 123 -8.731 8.566 -9.902 1.00 1.00 N ATOM 1913 CA GLN A 123 -7.796 9.642 -10.225 1.00 1.00 C ATOM 1914 C GLN A 123 -7.557 9.716 -11.731 1.00 1.00 C ATOM 1915 O GLN A 123 -7.465 10.803 -12.301 1.00 1.00 O ATOM 1916 CB GLN A 123 -6.464 9.422 -9.502 1.00 1.00 C ATOM 1917 CG GLN A 123 -6.668 9.544 -7.990 1.00 1.00 C ATOM 1918 CD GLN A 123 -7.042 10.975 -7.617 1.00 1.00 C ATOM 1919 OE1 GLN A 123 -6.427 11.925 -8.101 1.00 1.00 O ATOM 1920 NE2 GLN A 123 -8.017 11.186 -6.777 1.00 1.00 N ATOM 0 H GLN A 123 -8.323 7.782 -9.393 1.00 1.00 H new ATOM 0 HA GLN A 123 -8.234 10.583 -9.893 1.00 1.00 H new ATOM 0 HB2 GLN A 123 -6.066 8.437 -9.746 1.00 1.00 H new ATOM 0 HB3 GLN A 123 -5.731 10.155 -9.840 1.00 1.00 H new ATOM 0 HG2 GLN A 123 -7.453 8.860 -7.666 1.00 1.00 H new ATOM 0 HG3 GLN A 123 -5.756 9.252 -7.469 1.00 1.00 H new ATOM 0 HE21 GLN A 123 -8.525 10.397 -6.377 1.00 1.00 H new ATOM 0 HE22 GLN A 123 -8.271 12.140 -6.520 1.00 1.00 H new ATOM 1929 N SER A 124 -7.456 8.554 -12.368 1.00 1.00 N ATOM 1930 CA SER A 124 -7.228 8.501 -13.808 1.00 1.00 C ATOM 1931 C SER A 124 -8.520 8.792 -14.563 1.00 1.00 C ATOM 1932 O SER A 124 -8.493 8.754 -15.782 1.00 1.00 O ATOM 1933 CB SER A 124 -6.705 7.119 -14.202 1.00 1.00 C ATOM 1934 OG SER A 124 -7.806 6.243 -14.406 1.00 1.00 O ATOM 1935 OXT SER A 124 -9.520 9.048 -13.910 1.00 1.00 O ATOM 0 H SER A 124 -7.528 7.643 -11.915 1.00 1.00 H new ATOM 0 HA SER A 124 -6.488 9.257 -14.070 1.00 1.00 H new ATOM 0 HB2 SER A 124 -6.107 7.189 -15.111 1.00 1.00 H new ATOM 0 HB3 SER A 124 -6.053 6.727 -13.421 1.00 1.00 H new ATOM 0 HG SER A 124 -8.439 6.335 -13.664 1.00 1.00 H new