USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 650 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 39 MET CE :methyl 171:sc= -0.627 (180deg=-0.884) USER MOD Set 1.2: B 34 HIS : no HD1:sc= -0.0247 K(o=-1.9,f=-2.5) USER MOD Set 1.3: B 39 MET CE :methyl 168:sc= -1.21 (180deg=-1.36!) USER MOD Set 2.1: B 23 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: B 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: B 10 SER OG : rot 180:sc= 0.0192 USER MOD Set 3.2: B 11 SER OG : rot 180:sc= 0.00211 USER MOD Set 4.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 27 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.23) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0199 USER MOD Single : A 11 SER OG : rot 180:sc= 0.035 USER MOD Single : A 17 MET CE :methyl 141:sc= 0 (180deg=-0.0616) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0476 X(o=-0.048,f=-0.048) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0.939 (180deg=0.939) USER MOD Single : A 34 HIS : no HD1:sc= -0.0474 X(o=-0.047,f=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 36 ASN : amide:sc= -0.518 K(o=-0.52,f=-8.8!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.147 K(o=-0.15,f=-1.9!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : B 17 MET CE :methyl -153:sc= 0 (180deg=-1.19) USER MOD Single : B 18 SER OG : rot 62:sc= 0.0935 USER MOD Single : B 19 GLN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : B 21 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 28 LYS NZ :NH3+ 169:sc= 1.73 (180deg=1.63) USER MOD Single : B 35 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : B 36 ASN : amide:sc= -0.0865 K(o=-0.087,f=-9.4!) USER MOD Single : B 41 LYS NZ :NH3+ -152:sc= 1.09 (180deg=0.53) USER MOD Single : B 42 ASN : amide:sc= -0.072 K(o=-0.072,f=-1.5!) USER MOD Single : B 48 SER OG : rot -150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N LEU A 9 -16.378 6.988 3.857 1.00 0.00 N ATOM 84 CA LEU A 9 -15.438 5.953 3.444 1.00 0.00 C ATOM 85 C LEU A 9 -16.035 4.588 3.772 1.00 0.00 C ATOM 86 O LEU A 9 -15.738 3.633 3.059 1.00 0.00 O ATOM 87 CB LEU A 9 -14.067 6.128 4.118 1.00 0.00 C ATOM 88 CG LEU A 9 -13.066 6.858 3.215 1.00 0.00 C ATOM 89 CD1 LEU A 9 -13.453 8.314 2.944 1.00 0.00 C ATOM 90 CD2 LEU A 9 -11.684 6.810 3.864 1.00 0.00 C ATOM 0 HA LEU A 9 -15.272 6.034 2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -14.189 6.685 5.047 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.667 5.149 4.384 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.065 6.348 2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -12.705 8.775 2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.425 8.347 2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.505 8.858 3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.965 7.327 3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.723 7.297 4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.377 5.772 3.989 1.00 0.00 H new ATOM 102 N SER A 10 -16.915 4.496 4.780 1.00 0.00 N ATOM 103 CA SER A 10 -17.576 3.265 5.198 1.00 0.00 C ATOM 104 C SER A 10 -18.161 2.533 3.988 1.00 0.00 C ATOM 105 O SER A 10 -17.888 1.354 3.781 1.00 0.00 O ATOM 106 CB SER A 10 -18.678 3.600 6.214 1.00 0.00 C ATOM 107 OG SER A 10 -18.198 4.454 7.237 1.00 0.00 O ATOM 0 H SER A 10 -17.190 5.304 5.339 1.00 0.00 H new ATOM 0 HA SER A 10 -16.846 2.606 5.667 1.00 0.00 H new ATOM 0 HB2 SER A 10 -19.513 4.077 5.702 1.00 0.00 H new ATOM 0 HB3 SER A 10 -19.059 2.679 6.656 1.00 0.00 H new ATOM 0 HG SER A 10 -18.923 4.650 7.866 1.00 0.00 H new ATOM 113 N SER A 11 -18.899 3.251 3.141 1.00 0.00 N ATOM 114 CA SER A 11 -19.532 2.722 1.946 1.00 0.00 C ATOM 115 C SER A 11 -18.531 2.052 0.999 1.00 0.00 C ATOM 116 O SER A 11 -18.866 1.035 0.397 1.00 0.00 O ATOM 117 CB SER A 11 -20.277 3.872 1.260 1.00 0.00 C ATOM 118 OG SER A 11 -20.990 4.603 2.244 1.00 0.00 O ATOM 0 H SER A 11 -19.074 4.247 3.277 1.00 0.00 H new ATOM 0 HA SER A 11 -20.232 1.935 2.228 1.00 0.00 H new ATOM 0 HB2 SER A 11 -19.573 4.523 0.742 1.00 0.00 H new ATOM 0 HB3 SER A 11 -20.963 3.482 0.508 1.00 0.00 H new ATOM 0 HG SER A 11 -21.470 5.343 1.818 1.00 0.00 H new ATOM 124 N GLU A 12 -17.318 2.587 0.858 1.00 0.00 N ATOM 125 CA GLU A 12 -16.298 2.019 -0.017 1.00 0.00 C ATOM 126 C GLU A 12 -15.661 0.795 0.645 1.00 0.00 C ATOM 127 O GLU A 12 -15.215 -0.106 -0.063 1.00 0.00 O ATOM 128 CB GLU A 12 -15.234 3.075 -0.335 1.00 0.00 C ATOM 129 CG GLU A 12 -15.785 4.273 -1.116 1.00 0.00 C ATOM 130 CD GLU A 12 -16.209 3.868 -2.528 1.00 0.00 C ATOM 131 OE1 GLU A 12 -15.332 3.856 -3.420 1.00 0.00 O ATOM 132 OE2 GLU A 12 -17.390 3.497 -2.727 1.00 0.00 O ATOM 0 H GLU A 12 -17.017 3.428 1.350 1.00 0.00 H new ATOM 0 HA GLU A 12 -16.764 1.704 -0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.793 3.429 0.597 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.433 2.612 -0.911 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.638 4.695 -0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -15.026 5.054 -1.172 1.00 0.00 H new ATOM 139 N ILE A 13 -15.606 0.735 1.983 1.00 0.00 N ATOM 140 CA ILE A 13 -15.056 -0.423 2.691 1.00 0.00 C ATOM 141 C ILE A 13 -16.002 -1.573 2.336 1.00 0.00 C ATOM 142 O ILE A 13 -15.540 -2.640 1.937 1.00 0.00 O ATOM 143 CB ILE A 13 -14.931 -0.170 4.215 1.00 0.00 C ATOM 144 CG1 ILE A 13 -13.928 0.978 4.477 1.00 0.00 C ATOM 145 CG2 ILE A 13 -14.520 -1.433 5.005 1.00 0.00 C ATOM 146 CD1 ILE A 13 -13.876 1.431 5.938 1.00 0.00 C ATOM 0 H ILE A 13 -15.938 1.480 2.596 1.00 0.00 H new ATOM 0 HA ILE A 13 -14.033 -0.650 2.391 1.00 0.00 H new ATOM 0 HB ILE A 13 -15.920 0.113 4.574 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -12.933 0.656 4.171 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.194 1.830 3.851 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -14.449 -1.192 6.066 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -15.268 -2.213 4.859 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -13.553 -1.787 4.648 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.151 2.238 6.043 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -14.860 1.785 6.244 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.580 0.593 6.569 1.00 0.00 H new ATOM 158 N GLU A 14 -17.321 -1.338 2.406 1.00 0.00 N ATOM 159 CA GLU A 14 -18.348 -2.321 2.073 1.00 0.00 C ATOM 160 C GLU A 14 -18.167 -2.782 0.620 1.00 0.00 C ATOM 161 O GLU A 14 -18.407 -3.946 0.300 1.00 0.00 O ATOM 162 CB GLU A 14 -19.756 -1.720 2.237 1.00 0.00 C ATOM 163 CG GLU A 14 -20.097 -1.265 3.662 1.00 0.00 C ATOM 164 CD GLU A 14 -20.221 -2.417 4.650 1.00 0.00 C ATOM 165 OE1 GLU A 14 -20.931 -3.401 4.331 1.00 0.00 O ATOM 166 OE2 GLU A 14 -19.672 -2.295 5.772 1.00 0.00 O ATOM 0 H GLU A 14 -17.705 -0.441 2.702 1.00 0.00 H new ATOM 0 HA GLU A 14 -18.245 -3.168 2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.853 -0.867 1.565 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.491 -2.460 1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.326 -0.578 4.011 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -21.034 -0.709 3.644 1.00 0.00 H new ATOM 173 N ARG A 15 -17.769 -1.875 -0.282 1.00 0.00 N ATOM 174 CA ARG A 15 -17.557 -2.198 -1.693 1.00 0.00 C ATOM 175 C ARG A 15 -16.331 -3.079 -1.851 1.00 0.00 C ATOM 176 O ARG A 15 -16.322 -3.984 -2.683 1.00 0.00 O ATOM 177 CB ARG A 15 -17.430 -0.902 -2.516 1.00 0.00 C ATOM 178 CG ARG A 15 -18.762 -0.141 -2.576 1.00 0.00 C ATOM 179 CD ARG A 15 -19.621 -0.762 -3.667 1.00 0.00 C ATOM 180 NE ARG A 15 -21.054 -0.492 -3.497 1.00 0.00 N ATOM 181 CZ ARG A 15 -21.904 -1.157 -2.703 1.00 0.00 C ATOM 182 NH1 ARG A 15 -21.469 -2.073 -1.838 1.00 0.00 N ATOM 183 NH2 ARG A 15 -23.201 -0.901 -2.788 1.00 0.00 N ATOM 0 H ARG A 15 -17.586 -0.898 -0.051 1.00 0.00 H new ATOM 0 HA ARG A 15 -18.416 -2.753 -2.069 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.664 -0.263 -2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -17.101 -1.142 -3.527 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -19.273 -0.194 -1.615 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -18.587 0.914 -2.786 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -19.298 -0.381 -4.636 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -19.460 -1.840 -3.679 1.00 0.00 H new ATOM 0 HE ARG A 15 -21.442 0.280 -4.038 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -20.472 -2.279 -1.772 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -22.133 -2.568 -1.242 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -23.541 -0.205 -3.452 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -23.860 -1.400 -2.190 1.00 0.00 H new ATOM 197 N LEU A 16 -15.278 -2.832 -1.076 1.00 0.00 N ATOM 198 CA LEU A 16 -14.067 -3.634 -1.140 1.00 0.00 C ATOM 199 C LEU A 16 -14.360 -5.046 -0.632 1.00 0.00 C ATOM 200 O LEU A 16 -13.725 -5.990 -1.100 1.00 0.00 O ATOM 201 CB LEU A 16 -12.931 -2.937 -0.386 1.00 0.00 C ATOM 202 CG LEU A 16 -12.310 -1.801 -1.220 1.00 0.00 C ATOM 203 CD1 LEU A 16 -11.552 -0.829 -0.314 1.00 0.00 C ATOM 204 CD2 LEU A 16 -11.398 -2.392 -2.307 1.00 0.00 C ATOM 0 H LEU A 16 -15.243 -2.076 -0.392 1.00 0.00 H new ATOM 0 HA LEU A 16 -13.731 -3.733 -2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -13.310 -2.534 0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -12.161 -3.666 -0.132 1.00 0.00 H new ATOM 0 HG LEU A 16 -13.103 -1.238 -1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.119 -0.032 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.239 -0.400 0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.757 -1.362 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.961 -1.584 -2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.602 -2.972 -1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.983 -3.040 -2.960 1.00 0.00 H new ATOM 216 N MET A 17 -15.331 -5.217 0.278 1.00 0.00 N ATOM 217 CA MET A 17 -15.693 -6.542 0.778 1.00 0.00 C ATOM 218 C MET A 17 -16.187 -7.378 -0.413 1.00 0.00 C ATOM 219 O MET A 17 -15.754 -8.517 -0.602 1.00 0.00 O ATOM 220 CB MET A 17 -16.784 -6.485 1.862 1.00 0.00 C ATOM 221 CG MET A 17 -16.520 -5.528 3.019 1.00 0.00 C ATOM 222 SD MET A 17 -17.612 -5.797 4.437 1.00 0.00 S ATOM 223 CE MET A 17 -16.575 -5.115 5.750 1.00 0.00 C ATOM 0 H MET A 17 -15.875 -4.453 0.679 1.00 0.00 H new ATOM 0 HA MET A 17 -14.814 -6.990 1.241 1.00 0.00 H new ATOM 0 HB2 MET A 17 -17.725 -6.203 1.389 1.00 0.00 H new ATOM 0 HB3 MET A 17 -16.919 -7.488 2.268 1.00 0.00 H new ATOM 0 HG2 MET A 17 -15.484 -5.636 3.341 1.00 0.00 H new ATOM 0 HG3 MET A 17 -16.639 -4.503 2.668 1.00 0.00 H new ATOM 0 HE1 MET A 17 -17.197 -4.567 6.457 1.00 0.00 H new ATOM 0 HE2 MET A 17 -16.065 -5.926 6.269 1.00 0.00 H new ATOM 0 HE3 MET A 17 -15.837 -4.440 5.317 1.00 0.00 H new ATOM 233 N SER A 18 -17.044 -6.786 -1.254 1.00 0.00 N ATOM 234 CA SER A 18 -17.601 -7.431 -2.433 1.00 0.00 C ATOM 235 C SER A 18 -16.519 -7.821 -3.446 1.00 0.00 C ATOM 236 O SER A 18 -16.697 -8.802 -4.160 1.00 0.00 O ATOM 237 CB SER A 18 -18.644 -6.508 -3.077 1.00 0.00 C ATOM 238 OG SER A 18 -19.618 -6.096 -2.129 1.00 0.00 O ATOM 0 H SER A 18 -17.371 -5.828 -1.125 1.00 0.00 H new ATOM 0 HA SER A 18 -18.080 -8.357 -2.116 1.00 0.00 H new ATOM 0 HB2 SER A 18 -18.149 -5.633 -3.498 1.00 0.00 H new ATOM 0 HB3 SER A 18 -19.132 -7.026 -3.903 1.00 0.00 H new ATOM 0 HG SER A 18 -20.270 -5.508 -2.564 1.00 0.00 H new ATOM 244 N GLN A 19 -15.394 -7.102 -3.521 1.00 0.00 N ATOM 245 CA GLN A 19 -14.328 -7.442 -4.464 1.00 0.00 C ATOM 246 C GLN A 19 -13.556 -8.706 -4.040 1.00 0.00 C ATOM 247 O GLN A 19 -12.839 -9.264 -4.879 1.00 0.00 O ATOM 248 CB GLN A 19 -13.392 -6.237 -4.673 1.00 0.00 C ATOM 249 CG GLN A 19 -14.055 -5.073 -5.434 1.00 0.00 C ATOM 250 CD GLN A 19 -14.296 -5.383 -6.914 1.00 0.00 C ATOM 251 OE1 GLN A 19 -13.415 -5.215 -7.753 1.00 0.00 O ATOM 252 NE2 GLN A 19 -15.480 -5.832 -7.291 1.00 0.00 N ATOM 0 H GLN A 19 -15.200 -6.285 -2.942 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.792 -7.679 -5.421 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.050 -5.879 -3.702 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.508 -6.563 -5.221 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.006 -4.832 -4.960 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.425 -4.188 -5.352 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -16.216 -5.974 -6.599 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.658 -6.037 -8.274 1.00 0.00 H new ATOM 261 N GLY A 20 -13.691 -9.171 -2.791 1.00 0.00 N ATOM 262 CA GLY A 20 -13.022 -10.371 -2.289 1.00 0.00 C ATOM 263 C GLY A 20 -11.871 -10.098 -1.324 1.00 0.00 C ATOM 264 O GLY A 20 -10.972 -10.940 -1.221 1.00 0.00 O ATOM 0 H GLY A 20 -14.278 -8.714 -2.093 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.758 -10.999 -1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.641 -10.941 -3.137 1.00 0.00 H new ATOM 268 N TYR A 21 -11.886 -8.961 -0.619 1.00 0.00 N ATOM 269 CA TYR A 21 -10.844 -8.577 0.334 1.00 0.00 C ATOM 270 C TYR A 21 -11.358 -8.623 1.774 1.00 0.00 C ATOM 271 O TYR A 21 -12.566 -8.492 2.009 1.00 0.00 O ATOM 272 CB TYR A 21 -10.362 -7.153 0.011 1.00 0.00 C ATOM 273 CG TYR A 21 -9.847 -6.945 -1.402 1.00 0.00 C ATOM 274 CD1 TYR A 21 -8.785 -7.737 -1.871 1.00 0.00 C ATOM 275 CD2 TYR A 21 -10.410 -5.964 -2.244 1.00 0.00 C ATOM 276 CE1 TYR A 21 -8.286 -7.540 -3.166 1.00 0.00 C ATOM 277 CE2 TYR A 21 -9.895 -5.748 -3.538 1.00 0.00 C ATOM 278 CZ TYR A 21 -8.820 -6.542 -4.000 1.00 0.00 C ATOM 279 OH TYR A 21 -8.265 -6.366 -5.228 1.00 0.00 O ATOM 0 H TYR A 21 -12.635 -8.273 -0.697 1.00 0.00 H new ATOM 0 HA TYR A 21 -10.021 -9.286 0.244 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.186 -6.461 0.185 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -9.570 -6.888 0.711 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.354 -8.496 -1.235 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -11.243 -5.373 -1.894 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.481 -8.163 -3.528 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -10.318 -4.982 -4.172 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.733 -5.644 -5.698 1.00 0.00 H new ATOM 289 N SER A 22 -10.455 -8.806 2.741 1.00 0.00 N ATOM 290 CA SER A 22 -10.756 -8.838 4.171 1.00 0.00 C ATOM 291 C SER A 22 -10.832 -7.402 4.698 1.00 0.00 C ATOM 292 O SER A 22 -10.275 -6.470 4.113 1.00 0.00 O ATOM 293 CB SER A 22 -9.648 -9.576 4.936 1.00 0.00 C ATOM 294 OG SER A 22 -9.844 -10.974 4.900 1.00 0.00 O ATOM 0 H SER A 22 -9.464 -8.940 2.542 1.00 0.00 H new ATOM 0 HA SER A 22 -11.704 -9.355 4.318 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.678 -9.331 4.502 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.629 -9.236 5.971 1.00 0.00 H new ATOM 0 HG SER A 22 -9.123 -11.418 5.393 1.00 0.00 H new ATOM 300 N TYR A 23 -11.509 -7.215 5.831 1.00 0.00 N ATOM 301 CA TYR A 23 -11.676 -5.919 6.470 1.00 0.00 C ATOM 302 C TYR A 23 -10.326 -5.420 6.985 1.00 0.00 C ATOM 303 O TYR A 23 -10.043 -4.226 6.903 1.00 0.00 O ATOM 304 CB TYR A 23 -12.723 -6.051 7.579 1.00 0.00 C ATOM 305 CG TYR A 23 -12.960 -4.783 8.366 1.00 0.00 C ATOM 306 CD1 TYR A 23 -13.849 -3.802 7.889 1.00 0.00 C ATOM 307 CD2 TYR A 23 -12.295 -4.592 9.589 1.00 0.00 C ATOM 308 CE1 TYR A 23 -14.096 -2.643 8.645 1.00 0.00 C ATOM 309 CE2 TYR A 23 -12.528 -3.434 10.343 1.00 0.00 C ATOM 310 CZ TYR A 23 -13.437 -2.458 9.878 1.00 0.00 C ATOM 311 OH TYR A 23 -13.664 -1.323 10.592 1.00 0.00 O ATOM 0 H TYR A 23 -11.963 -7.976 6.336 1.00 0.00 H new ATOM 0 HA TYR A 23 -12.035 -5.175 5.759 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -13.666 -6.371 7.136 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -12.410 -6.838 8.266 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -14.343 -3.940 6.939 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -11.603 -5.339 9.949 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -14.788 -1.897 8.283 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.012 -3.288 11.280 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.137 -1.345 11.418 1.00 0.00 H new ATOM 321 N GLN A 24 -9.489 -6.337 7.482 1.00 0.00 N ATOM 322 CA GLN A 24 -8.161 -6.037 8.002 1.00 0.00 C ATOM 323 C GLN A 24 -7.342 -5.359 6.905 1.00 0.00 C ATOM 324 O GLN A 24 -6.869 -4.246 7.097 1.00 0.00 O ATOM 325 CB GLN A 24 -7.492 -7.319 8.518 1.00 0.00 C ATOM 326 CG GLN A 24 -8.243 -7.876 9.735 1.00 0.00 C ATOM 327 CD GLN A 24 -7.661 -9.204 10.195 1.00 0.00 C ATOM 328 OE1 GLN A 24 -7.992 -10.259 9.652 1.00 0.00 O ATOM 329 NE2 GLN A 24 -6.797 -9.190 11.197 1.00 0.00 N ATOM 0 H GLN A 24 -9.726 -7.328 7.533 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.230 -5.353 8.848 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.470 -8.067 7.725 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.457 -7.110 8.788 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.197 -7.156 10.552 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.296 -8.007 9.484 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.536 -8.306 11.633 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.392 -10.064 11.533 1.00 0.00 H new ATOM 338 N ASP A 25 -7.215 -5.997 5.739 1.00 0.00 N ATOM 339 CA ASP A 25 -6.486 -5.476 4.585 1.00 0.00 C ATOM 340 C ASP A 25 -7.002 -4.083 4.240 1.00 0.00 C ATOM 341 O ASP A 25 -6.214 -3.151 4.106 1.00 0.00 O ATOM 342 CB ASP A 25 -6.650 -6.410 3.382 1.00 0.00 C ATOM 343 CG ASP A 25 -5.857 -7.688 3.574 1.00 0.00 C ATOM 344 OD1 ASP A 25 -6.364 -8.606 4.250 1.00 0.00 O ATOM 345 OD2 ASP A 25 -4.710 -7.769 3.094 1.00 0.00 O ATOM 0 H ASP A 25 -7.628 -6.914 5.569 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.426 -5.417 4.834 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.704 -6.649 3.244 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.317 -5.904 2.476 1.00 0.00 H new ATOM 350 N ILE A 26 -8.323 -3.908 4.138 1.00 0.00 N ATOM 351 CA ILE A 26 -8.924 -2.617 3.808 1.00 0.00 C ATOM 352 C ILE A 26 -8.463 -1.549 4.815 1.00 0.00 C ATOM 353 O ILE A 26 -8.023 -0.469 4.404 1.00 0.00 O ATOM 354 CB ILE A 26 -10.460 -2.750 3.696 1.00 0.00 C ATOM 355 CG1 ILE A 26 -10.870 -3.714 2.556 1.00 0.00 C ATOM 356 CG2 ILE A 26 -11.078 -1.370 3.425 1.00 0.00 C ATOM 357 CD1 ILE A 26 -12.297 -4.259 2.716 1.00 0.00 C ATOM 0 H ILE A 26 -9.002 -4.656 4.282 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.581 -2.284 2.829 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.826 -3.156 4.639 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.790 -3.194 1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.170 -4.549 2.524 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -12.161 -1.465 3.346 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.832 -0.694 4.244 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.680 -0.970 2.492 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -12.526 -4.928 1.887 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.374 -4.806 3.656 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -13.005 -3.430 2.719 1.00 0.00 H new ATOM 369 N GLN A 27 -8.553 -1.839 6.115 1.00 0.00 N ATOM 370 CA GLN A 27 -8.140 -0.932 7.182 1.00 0.00 C ATOM 371 C GLN A 27 -6.635 -0.642 7.133 1.00 0.00 C ATOM 372 O GLN A 27 -6.237 0.511 7.319 1.00 0.00 O ATOM 373 CB GLN A 27 -8.525 -1.516 8.550 1.00 0.00 C ATOM 374 CG GLN A 27 -10.020 -1.383 8.860 1.00 0.00 C ATOM 375 CD GLN A 27 -10.502 0.066 8.950 1.00 0.00 C ATOM 376 OE1 GLN A 27 -9.767 0.996 9.282 1.00 0.00 O ATOM 377 NE2 GLN A 27 -11.765 0.285 8.641 1.00 0.00 N ATOM 0 H GLN A 27 -8.921 -2.726 6.459 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.662 0.014 7.033 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.246 -2.569 8.581 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.952 -1.012 9.328 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.590 -1.899 8.087 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.233 -1.887 9.803 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.365 -0.493 8.367 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.142 1.232 8.676 1.00 0.00 H new ATOM 386 N LYS A 28 -5.789 -1.650 6.902 1.00 0.00 N ATOM 387 CA LYS A 28 -4.336 -1.476 6.823 1.00 0.00 C ATOM 388 C LYS A 28 -4.002 -0.582 5.634 1.00 0.00 C ATOM 389 O LYS A 28 -3.183 0.330 5.754 1.00 0.00 O ATOM 390 CB LYS A 28 -3.623 -2.830 6.674 1.00 0.00 C ATOM 391 CG LYS A 28 -3.668 -3.672 7.959 1.00 0.00 C ATOM 392 CD LYS A 28 -2.887 -4.986 7.837 1.00 0.00 C ATOM 393 CE LYS A 28 -3.395 -5.929 6.738 1.00 0.00 C ATOM 394 NZ LYS A 28 -2.443 -7.033 6.506 1.00 0.00 N ATOM 0 H LYS A 28 -6.094 -2.613 6.764 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.990 -1.012 7.747 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.085 -3.391 5.861 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.584 -2.659 6.393 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.261 -3.088 8.785 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.706 -3.893 8.206 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.839 -4.755 7.644 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.927 -5.508 8.793 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.366 -6.335 7.022 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.542 -5.370 5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.810 -7.656 5.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.525 -6.643 6.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.323 -7.578 7.383 1.00 0.00 H new ATOM 408 N ALA A 29 -4.636 -0.818 4.483 1.00 0.00 N ATOM 409 CA ALA A 29 -4.381 -0.006 3.309 1.00 0.00 C ATOM 410 C ALA A 29 -4.816 1.435 3.586 1.00 0.00 C ATOM 411 O ALA A 29 -4.110 2.355 3.190 1.00 0.00 O ATOM 412 CB ALA A 29 -5.077 -0.603 2.085 1.00 0.00 C ATOM 0 H ALA A 29 -5.323 -1.560 4.347 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.314 0.004 3.087 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.875 0.019 1.213 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.700 -1.610 1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.152 -0.643 2.261 1.00 0.00 H new ATOM 418 N LEU A 30 -5.938 1.649 4.287 1.00 0.00 N ATOM 419 CA LEU A 30 -6.432 2.986 4.604 1.00 0.00 C ATOM 420 C LEU A 30 -5.475 3.750 5.511 1.00 0.00 C ATOM 421 O LEU A 30 -5.147 4.892 5.189 1.00 0.00 O ATOM 422 CB LEU A 30 -7.827 2.935 5.257 1.00 0.00 C ATOM 423 CG LEU A 30 -8.984 2.847 4.250 1.00 0.00 C ATOM 424 CD1 LEU A 30 -10.298 2.568 4.987 1.00 0.00 C ATOM 425 CD2 LEU A 30 -9.126 4.136 3.428 1.00 0.00 C ATOM 0 H LEU A 30 -6.525 0.897 4.648 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.504 3.516 3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.873 2.075 5.925 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.962 3.824 5.873 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.759 2.031 3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.114 2.507 4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.219 1.624 5.527 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.497 3.374 5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.955 4.032 2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.319 4.975 4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.205 4.318 2.874 1.00 0.00 H new ATOM 437 N VAL A 31 -5.034 3.165 6.627 1.00 0.00 N ATOM 438 CA VAL A 31 -4.131 3.857 7.546 1.00 0.00 C ATOM 439 C VAL A 31 -2.813 4.213 6.853 1.00 0.00 C ATOM 440 O VAL A 31 -2.372 5.360 6.941 1.00 0.00 O ATOM 441 CB VAL A 31 -3.998 3.078 8.871 1.00 0.00 C ATOM 442 CG1 VAL A 31 -3.202 1.774 8.776 1.00 0.00 C ATOM 443 CG2 VAL A 31 -3.379 3.946 9.968 1.00 0.00 C ATOM 0 H VAL A 31 -5.286 2.219 6.914 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.556 4.819 7.833 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.024 2.808 9.120 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.164 1.299 9.756 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.686 1.103 8.066 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.189 1.990 8.438 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.299 3.367 10.888 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.386 4.272 9.657 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.010 4.818 10.141 1.00 0.00 H new ATOM 453 N ILE A 32 -2.214 3.278 6.111 1.00 0.00 N ATOM 454 CA ILE A 32 -0.958 3.518 5.405 1.00 0.00 C ATOM 455 C ILE A 32 -1.191 4.536 4.281 1.00 0.00 C ATOM 456 O ILE A 32 -0.303 5.332 3.988 1.00 0.00 O ATOM 457 CB ILE A 32 -0.364 2.174 4.940 1.00 0.00 C ATOM 458 CG1 ILE A 32 -0.080 1.237 6.144 1.00 0.00 C ATOM 459 CG2 ILE A 32 0.938 2.416 4.164 1.00 0.00 C ATOM 460 CD1 ILE A 32 0.165 -0.240 5.824 1.00 0.00 C ATOM 0 H ILE A 32 -2.587 2.337 5.984 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.211 3.963 6.062 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.096 1.691 4.292 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.792 1.619 6.674 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.924 1.301 6.831 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.351 1.461 3.839 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.732 3.037 3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.657 2.922 4.808 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.351 -0.787 6.749 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.712 -0.655 5.327 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.031 -0.331 5.168 1.00 0.00 H new ATOM 472 N ALA A 33 -2.380 4.572 3.663 1.00 0.00 N ATOM 473 CA ALA A 33 -2.697 5.530 2.613 1.00 0.00 C ATOM 474 C ALA A 33 -3.057 6.893 3.226 1.00 0.00 C ATOM 475 O ALA A 33 -3.545 7.765 2.503 1.00 0.00 O ATOM 476 CB ALA A 33 -3.830 5.019 1.720 1.00 0.00 C ATOM 0 H ALA A 33 -3.145 3.934 3.883 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.813 5.653 1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.044 5.756 0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.531 4.080 1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.723 4.857 2.323 1.00 0.00 H new ATOM 482 N HIS A 34 -2.841 7.092 4.533 1.00 0.00 N ATOM 483 CA HIS A 34 -3.139 8.307 5.279 1.00 0.00 C ATOM 484 C HIS A 34 -4.612 8.686 5.059 1.00 0.00 C ATOM 485 O HIS A 34 -4.934 9.841 4.786 1.00 0.00 O ATOM 486 CB HIS A 34 -2.130 9.427 4.943 1.00 0.00 C ATOM 487 CG HIS A 34 -0.679 9.167 5.292 1.00 0.00 C ATOM 488 ND1 HIS A 34 0.339 10.087 5.140 1.00 0.00 N ATOM 489 CD2 HIS A 34 -0.136 8.056 5.887 1.00 0.00 C ATOM 490 CE1 HIS A 34 1.465 9.543 5.625 1.00 0.00 C ATOM 491 NE2 HIS A 34 1.218 8.318 6.110 1.00 0.00 N ATOM 0 H HIS A 34 -2.432 6.368 5.123 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.016 8.138 6.349 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.191 9.630 3.874 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.446 10.334 5.458 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.660 7.145 6.137 1.00 0.00 H new ATOM 0 HE1 HIS A 34 2.432 10.023 5.625 1.00 0.00 H new ATOM 0 HE2 HIS A 34 1.891 7.695 6.557 1.00 0.00 H new ATOM 499 N ASN A 35 -5.507 7.698 5.171 1.00 0.00 N ATOM 500 CA ASN A 35 -6.966 7.757 5.010 1.00 0.00 C ATOM 501 C ASN A 35 -7.427 7.931 3.554 1.00 0.00 C ATOM 502 O ASN A 35 -8.624 8.105 3.325 1.00 0.00 O ATOM 503 CB ASN A 35 -7.648 8.768 5.969 1.00 0.00 C ATOM 504 CG ASN A 35 -7.777 8.272 7.402 1.00 0.00 C ATOM 505 OD1 ASN A 35 -7.011 7.425 7.867 1.00 0.00 O ATOM 506 ND2 ASN A 35 -8.743 8.786 8.145 1.00 0.00 N ATOM 0 H ASN A 35 -5.202 6.751 5.397 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.312 6.768 5.310 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.077 9.697 5.967 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.641 9.003 5.586 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.859 8.482 9.112 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.372 9.486 7.751 1.00 0.00 H new ATOM 513 N ASN A 36 -6.537 7.886 2.555 1.00 0.00 N ATOM 514 CA ASN A 36 -6.943 8.038 1.155 1.00 0.00 C ATOM 515 C ASN A 36 -7.504 6.715 0.630 1.00 0.00 C ATOM 516 O ASN A 36 -6.745 5.773 0.400 1.00 0.00 O ATOM 517 CB ASN A 36 -5.784 8.534 0.288 1.00 0.00 C ATOM 518 CG ASN A 36 -6.223 8.853 -1.137 1.00 0.00 C ATOM 519 OD1 ASN A 36 -7.158 8.271 -1.676 1.00 0.00 O ATOM 520 ND2 ASN A 36 -5.545 9.780 -1.778 1.00 0.00 N ATOM 0 H ASN A 36 -5.536 7.746 2.690 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.727 8.794 1.102 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.350 9.426 0.741 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.001 7.776 0.264 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.795 10.023 -2.737 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.770 10.256 -1.317 1.00 0.00 H new ATOM 527 N ILE A 37 -8.825 6.628 0.456 1.00 0.00 N ATOM 528 CA ILE A 37 -9.504 5.429 -0.036 1.00 0.00 C ATOM 529 C ILE A 37 -9.083 5.065 -1.465 1.00 0.00 C ATOM 530 O ILE A 37 -8.903 3.885 -1.750 1.00 0.00 O ATOM 531 CB ILE A 37 -11.034 5.595 0.119 1.00 0.00 C ATOM 532 CG1 ILE A 37 -11.880 4.370 -0.308 1.00 0.00 C ATOM 533 CG2 ILE A 37 -11.586 6.816 -0.640 1.00 0.00 C ATOM 534 CD1 ILE A 37 -11.833 3.169 0.645 1.00 0.00 C ATOM 0 H ILE A 37 -9.461 7.400 0.656 1.00 0.00 H new ATOM 0 HA ILE A 37 -9.195 4.580 0.574 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.139 5.726 1.196 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -12.918 4.687 -0.414 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -11.544 4.044 -1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -12.664 6.879 -0.493 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.115 7.723 -0.262 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.370 6.711 -1.703 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.459 2.368 0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -10.806 2.816 0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.201 3.469 1.626 1.00 0.00 H new ATOM 546 N GLU A 38 -8.933 6.029 -2.374 1.00 0.00 N ATOM 547 CA GLU A 38 -8.550 5.752 -3.760 1.00 0.00 C ATOM 548 C GLU A 38 -7.148 5.153 -3.810 1.00 0.00 C ATOM 549 O GLU A 38 -6.940 4.130 -4.467 1.00 0.00 O ATOM 550 CB GLU A 38 -8.666 7.014 -4.631 1.00 0.00 C ATOM 551 CG GLU A 38 -10.129 7.494 -4.670 1.00 0.00 C ATOM 552 CD GLU A 38 -10.484 8.261 -5.946 1.00 0.00 C ATOM 553 OE1 GLU A 38 -10.825 7.616 -6.972 1.00 0.00 O ATOM 554 OE2 GLU A 38 -10.509 9.511 -5.902 1.00 0.00 O ATOM 0 H GLU A 38 -9.073 7.019 -2.172 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.242 5.018 -4.173 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.027 7.801 -4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.317 6.802 -5.642 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.789 6.631 -4.578 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.317 8.133 -3.807 1.00 0.00 H new ATOM 561 N MET A 39 -6.213 5.762 -3.077 1.00 0.00 N ATOM 562 CA MET A 39 -4.831 5.316 -2.987 1.00 0.00 C ATOM 563 C MET A 39 -4.828 3.912 -2.387 1.00 0.00 C ATOM 564 O MET A 39 -4.219 2.994 -2.937 1.00 0.00 O ATOM 565 CB MET A 39 -4.050 6.322 -2.134 1.00 0.00 C ATOM 566 CG MET A 39 -2.528 6.295 -2.281 1.00 0.00 C ATOM 567 SD MET A 39 -1.783 7.846 -1.662 1.00 0.00 S ATOM 568 CE MET A 39 0.000 7.727 -2.009 1.00 0.00 C ATOM 0 H MET A 39 -6.405 6.595 -2.520 1.00 0.00 H new ATOM 0 HA MET A 39 -4.349 5.268 -3.963 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.400 7.324 -2.380 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.296 6.147 -1.087 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.121 5.447 -1.731 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.263 6.152 -3.329 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.475 8.687 -1.808 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.444 6.962 -1.372 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.150 7.460 -3.055 1.00 0.00 H new ATOM 578 N ALA A 40 -5.581 3.710 -1.299 1.00 0.00 N ATOM 579 CA ALA A 40 -5.677 2.428 -0.622 1.00 0.00 C ATOM 580 C ALA A 40 -6.236 1.349 -1.559 1.00 0.00 C ATOM 581 O ALA A 40 -5.763 0.213 -1.541 1.00 0.00 O ATOM 582 CB ALA A 40 -6.542 2.578 0.634 1.00 0.00 C ATOM 0 H ALA A 40 -6.143 4.443 -0.866 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.679 2.107 -0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.615 1.617 1.143 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.088 3.309 1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.539 2.915 0.351 1.00 0.00 H new ATOM 588 N LYS A 41 -7.223 1.679 -2.401 1.00 0.00 N ATOM 589 CA LYS A 41 -7.805 0.736 -3.354 1.00 0.00 C ATOM 590 C LYS A 41 -6.717 0.204 -4.289 1.00 0.00 C ATOM 591 O LYS A 41 -6.769 -0.976 -4.648 1.00 0.00 O ATOM 592 CB LYS A 41 -8.964 1.395 -4.119 1.00 0.00 C ATOM 593 CG LYS A 41 -10.247 1.434 -3.284 1.00 0.00 C ATOM 594 CD LYS A 41 -11.285 2.410 -3.858 1.00 0.00 C ATOM 595 CE LYS A 41 -12.671 2.083 -3.293 1.00 0.00 C ATOM 596 NZ LYS A 41 -13.308 0.963 -4.024 1.00 0.00 N ATOM 0 H LYS A 41 -7.639 2.610 -2.438 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.222 -0.116 -2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.683 2.410 -4.401 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.148 0.847 -5.043 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.678 0.434 -3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.004 1.725 -2.262 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.012 3.435 -3.607 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.300 2.342 -4.946 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.583 1.826 -2.237 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.307 2.966 -3.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.244 0.769 -3.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.415 1.219 -5.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.713 0.114 -3.945 1.00 0.00 H new ATOM 610 N ASN A 42 -5.746 1.040 -4.685 1.00 0.00 N ATOM 611 CA ASN A 42 -4.646 0.609 -5.547 1.00 0.00 C ATOM 612 C ASN A 42 -3.764 -0.366 -4.770 1.00 0.00 C ATOM 613 O ASN A 42 -3.341 -1.367 -5.344 1.00 0.00 O ATOM 614 CB ASN A 42 -3.770 1.775 -6.048 1.00 0.00 C ATOM 615 CG ASN A 42 -4.078 2.264 -7.454 1.00 0.00 C ATOM 616 OD1 ASN A 42 -4.827 1.653 -8.218 1.00 0.00 O ATOM 617 ND2 ASN A 42 -3.513 3.395 -7.831 1.00 0.00 N ATOM 0 H ASN A 42 -5.704 2.023 -4.418 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.092 0.141 -6.424 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.880 2.612 -5.358 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.726 1.465 -6.010 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.695 3.771 -8.762 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.894 3.894 -7.192 1.00 0.00 H new ATOM 624 N ILE A 43 -3.483 -0.088 -3.487 1.00 0.00 N ATOM 625 CA ILE A 43 -2.658 -0.955 -2.640 1.00 0.00 C ATOM 626 C ILE A 43 -3.279 -2.344 -2.669 1.00 0.00 C ATOM 627 O ILE A 43 -2.620 -3.320 -3.027 1.00 0.00 O ATOM 628 CB ILE A 43 -2.522 -0.420 -1.192 1.00 0.00 C ATOM 629 CG1 ILE A 43 -1.943 1.012 -1.170 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.650 -1.393 -0.382 1.00 0.00 C ATOM 631 CD1 ILE A 43 -1.831 1.659 0.211 1.00 0.00 C ATOM 0 H ILE A 43 -3.824 0.747 -3.010 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.640 -0.982 -3.029 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.511 -0.361 -0.737 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.952 0.991 -1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.567 1.647 -1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.548 -1.026 0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.119 -2.377 -0.369 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.664 -1.467 -0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.413 2.661 0.111 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.820 1.722 0.665 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.180 1.056 0.844 1.00 0.00 H new ATOM 643 N LEU A 44 -4.568 -2.422 -2.330 1.00 0.00 N ATOM 644 CA LEU A 44 -5.288 -3.681 -2.318 1.00 0.00 C ATOM 645 C LEU A 44 -5.201 -4.356 -3.679 1.00 0.00 C ATOM 646 O LEU A 44 -4.912 -5.544 -3.742 1.00 0.00 O ATOM 647 CB LEU A 44 -6.758 -3.479 -1.929 1.00 0.00 C ATOM 648 CG LEU A 44 -6.958 -2.953 -0.500 1.00 0.00 C ATOM 649 CD1 LEU A 44 -8.443 -2.694 -0.280 1.00 0.00 C ATOM 650 CD2 LEU A 44 -6.454 -3.937 0.555 1.00 0.00 C ATOM 0 H LEU A 44 -5.132 -1.616 -2.059 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.822 -4.322 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.216 -2.781 -2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.285 -4.428 -2.033 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.379 -2.035 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.601 -2.320 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.794 -1.954 -1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.998 -3.622 -0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.617 -3.520 1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.996 -4.878 0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.389 -4.115 0.407 1.00 0.00 H new ATOM 662 N ARG A 45 -5.393 -3.611 -4.766 1.00 0.00 N ATOM 663 CA ARG A 45 -5.349 -4.162 -6.110 1.00 0.00 C ATOM 664 C ARG A 45 -4.012 -4.786 -6.509 1.00 0.00 C ATOM 665 O ARG A 45 -4.049 -5.791 -7.213 1.00 0.00 O ATOM 666 CB ARG A 45 -5.760 -3.066 -7.110 1.00 0.00 C ATOM 667 CG ARG A 45 -6.070 -3.676 -8.480 1.00 0.00 C ATOM 668 CD ARG A 45 -7.015 -2.797 -9.310 1.00 0.00 C ATOM 669 NE ARG A 45 -7.805 -3.607 -10.250 1.00 0.00 N ATOM 670 CZ ARG A 45 -8.391 -3.204 -11.380 1.00 0.00 C ATOM 671 NH1 ARG A 45 -8.238 -1.970 -11.825 1.00 0.00 N ATOM 672 NH2 ARG A 45 -9.125 -4.051 -12.088 1.00 0.00 N ATOM 0 H ARG A 45 -5.583 -2.609 -4.735 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.053 -4.994 -6.127 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.635 -2.534 -6.736 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.958 -2.333 -7.205 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.140 -3.823 -9.028 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.519 -4.660 -8.344 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.684 -2.250 -8.646 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.436 -2.056 -9.861 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.918 -4.592 -10.010 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.664 -1.307 -11.303 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.693 -1.680 -12.690 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.243 -5.013 -11.770 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.572 -3.741 -12.951 1.00 0.00 H new ATOM 686 N GLU A 46 -2.868 -4.257 -6.071 1.00 0.00 N ATOM 687 CA GLU A 46 -1.559 -4.794 -6.470 1.00 0.00 C ATOM 688 C GLU A 46 -0.850 -5.634 -5.399 1.00 0.00 C ATOM 689 O GLU A 46 0.177 -6.241 -5.719 1.00 0.00 O ATOM 690 CB GLU A 46 -0.675 -3.652 -7.004 1.00 0.00 C ATOM 691 CG GLU A 46 -1.396 -2.835 -8.099 1.00 0.00 C ATOM 692 CD GLU A 46 -0.558 -1.784 -8.832 1.00 0.00 C ATOM 693 OE1 GLU A 46 0.620 -2.023 -9.160 1.00 0.00 O ATOM 694 OE2 GLU A 46 -1.125 -0.713 -9.164 1.00 0.00 O ATOM 0 H GLU A 46 -2.818 -3.457 -5.440 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.746 -5.512 -7.269 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.397 -2.993 -6.182 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.249 -4.066 -7.408 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.792 -3.531 -8.838 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.250 -2.333 -7.643 1.00 0.00 H new ATOM 701 N PHE A 47 -1.375 -5.701 -4.168 1.00 0.00 N ATOM 702 CA PHE A 47 -0.791 -6.490 -3.077 1.00 0.00 C ATOM 703 C PHE A 47 -1.756 -7.569 -2.580 1.00 0.00 C ATOM 704 O PHE A 47 -1.340 -8.664 -2.204 1.00 0.00 O ATOM 705 CB PHE A 47 -0.311 -5.605 -1.918 1.00 0.00 C ATOM 706 CG PHE A 47 1.011 -4.915 -2.191 1.00 0.00 C ATOM 707 CD1 PHE A 47 1.043 -3.696 -2.895 1.00 0.00 C ATOM 708 CD2 PHE A 47 2.220 -5.508 -1.768 1.00 0.00 C ATOM 709 CE1 PHE A 47 2.273 -3.103 -3.211 1.00 0.00 C ATOM 710 CE2 PHE A 47 3.448 -4.903 -2.073 1.00 0.00 C ATOM 711 CZ PHE A 47 3.468 -3.699 -2.794 1.00 0.00 C ATOM 0 H PHE A 47 -2.225 -5.204 -3.900 1.00 0.00 H new ATOM 0 HA PHE A 47 0.085 -6.991 -3.489 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.069 -4.850 -1.709 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.214 -6.216 -1.021 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.121 -3.218 -3.191 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.199 -6.431 -1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.298 -2.184 -3.778 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.373 -5.361 -1.755 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.412 -3.230 -3.028 1.00 0.00 H new ATOM 721 N SER A 48 -3.050 -7.259 -2.549 1.00 0.00 N ATOM 722 CA SER A 48 -4.117 -8.152 -2.121 1.00 0.00 C ATOM 723 C SER A 48 -4.844 -8.744 -3.342 1.00 0.00 C ATOM 724 O SER A 48 -5.669 -9.647 -3.173 1.00 0.00 O ATOM 725 CB SER A 48 -5.073 -7.361 -1.212 1.00 0.00 C ATOM 726 OG SER A 48 -5.183 -7.943 0.064 1.00 0.00 O ATOM 0 H SER A 48 -3.395 -6.342 -2.833 1.00 0.00 H new ATOM 0 HA SER A 48 -3.709 -8.993 -1.560 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.716 -6.336 -1.114 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.058 -7.313 -1.676 1.00 0.00 H new ATOM 0 HG SER A 48 -5.797 -7.412 0.614 1.00 0.00 H new ATOM 865 N LEU B 9 16.437 7.837 -4.277 1.00 0.00 N ATOM 866 CA LEU B 9 15.493 6.808 -3.829 1.00 0.00 C ATOM 867 C LEU B 9 15.936 5.400 -4.213 1.00 0.00 C ATOM 868 O LEU B 9 15.571 4.447 -3.526 1.00 0.00 O ATOM 869 CB LEU B 9 14.087 7.085 -4.385 1.00 0.00 C ATOM 870 CG LEU B 9 13.268 8.076 -3.540 1.00 0.00 C ATOM 871 CD1 LEU B 9 13.909 9.465 -3.447 1.00 0.00 C ATOM 872 CD2 LEU B 9 11.874 8.196 -4.155 1.00 0.00 C ATOM 0 HA LEU B 9 15.470 6.857 -2.740 1.00 0.00 H new ATOM 0 HB2 LEU B 9 14.178 7.475 -5.399 1.00 0.00 H new ATOM 0 HB3 LEU B 9 13.542 6.144 -4.454 1.00 0.00 H new ATOM 0 HG LEU B 9 13.224 7.687 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU B 9 13.281 10.115 -2.838 1.00 0.00 H new ATOM 0 HD12 LEU B 9 14.895 9.381 -2.991 1.00 0.00 H new ATOM 0 HD13 LEU B 9 14.007 9.888 -4.447 1.00 0.00 H new ATOM 0 HD21 LEU B 9 11.277 8.895 -3.569 1.00 0.00 H new ATOM 0 HD22 LEU B 9 11.958 8.560 -5.179 1.00 0.00 H new ATOM 0 HD23 LEU B 9 11.391 7.219 -4.156 1.00 0.00 H new ATOM 884 N SER B 10 16.724 5.261 -5.278 1.00 0.00 N ATOM 885 CA SER B 10 17.278 4.007 -5.767 1.00 0.00 C ATOM 886 C SER B 10 17.988 3.284 -4.616 1.00 0.00 C ATOM 887 O SER B 10 17.820 2.084 -4.413 1.00 0.00 O ATOM 888 CB SER B 10 18.274 4.351 -6.882 1.00 0.00 C ATOM 889 OG SER B 10 19.095 5.437 -6.480 1.00 0.00 O ATOM 0 H SER B 10 17.005 6.059 -5.848 1.00 0.00 H new ATOM 0 HA SER B 10 16.497 3.351 -6.151 1.00 0.00 H new ATOM 0 HB2 SER B 10 18.892 3.482 -7.110 1.00 0.00 H new ATOM 0 HB3 SER B 10 17.737 4.609 -7.795 1.00 0.00 H new ATOM 0 HG SER B 10 19.729 5.650 -7.196 1.00 0.00 H new ATOM 895 N SER B 11 18.745 4.045 -3.823 1.00 0.00 N ATOM 896 CA SER B 11 19.499 3.573 -2.674 1.00 0.00 C ATOM 897 C SER B 11 18.567 2.936 -1.639 1.00 0.00 C ATOM 898 O SER B 11 18.944 1.975 -0.977 1.00 0.00 O ATOM 899 CB SER B 11 20.263 4.751 -2.057 1.00 0.00 C ATOM 900 OG SER B 11 20.962 5.502 -3.044 1.00 0.00 O ATOM 0 H SER B 11 18.850 5.048 -3.976 1.00 0.00 H new ATOM 0 HA SER B 11 20.208 2.811 -2.998 1.00 0.00 H new ATOM 0 HB2 SER B 11 19.564 5.402 -1.532 1.00 0.00 H new ATOM 0 HB3 SER B 11 20.970 4.378 -1.316 1.00 0.00 H new ATOM 0 HG SER B 11 21.436 6.245 -2.615 1.00 0.00 H new ATOM 906 N GLU B 12 17.344 3.449 -1.480 1.00 0.00 N ATOM 907 CA GLU B 12 16.392 2.903 -0.526 1.00 0.00 C ATOM 908 C GLU B 12 15.731 1.630 -1.067 1.00 0.00 C ATOM 909 O GLU B 12 15.119 0.902 -0.287 1.00 0.00 O ATOM 910 CB GLU B 12 15.386 3.970 -0.078 1.00 0.00 C ATOM 911 CG GLU B 12 16.028 5.102 0.737 1.00 0.00 C ATOM 912 CD GLU B 12 16.769 4.575 1.969 1.00 0.00 C ATOM 913 OE1 GLU B 12 16.105 4.085 2.915 1.00 0.00 O ATOM 914 OE2 GLU B 12 18.022 4.637 1.969 1.00 0.00 O ATOM 0 H GLU B 12 16.994 4.249 -2.008 1.00 0.00 H new ATOM 0 HA GLU B 12 16.933 2.602 0.371 1.00 0.00 H new ATOM 0 HB2 GLU B 12 14.900 4.394 -0.957 1.00 0.00 H new ATOM 0 HB3 GLU B 12 14.607 3.497 0.520 1.00 0.00 H new ATOM 0 HG2 GLU B 12 16.723 5.654 0.105 1.00 0.00 H new ATOM 0 HG3 GLU B 12 15.256 5.805 1.051 1.00 0.00 H new ATOM 921 N ILE B 13 15.807 1.349 -2.377 1.00 0.00 N ATOM 922 CA ILE B 13 15.248 0.114 -2.933 1.00 0.00 C ATOM 923 C ILE B 13 16.160 -0.993 -2.381 1.00 0.00 C ATOM 924 O ILE B 13 15.685 -2.022 -1.903 1.00 0.00 O ATOM 925 CB ILE B 13 15.204 0.118 -4.488 1.00 0.00 C ATOM 926 CG1 ILE B 13 14.367 1.296 -5.045 1.00 0.00 C ATOM 927 CG2 ILE B 13 14.646 -1.217 -5.019 1.00 0.00 C ATOM 928 CD1 ILE B 13 14.382 1.442 -6.573 1.00 0.00 C ATOM 0 H ILE B 13 16.248 1.959 -3.065 1.00 0.00 H new ATOM 0 HA ILE B 13 14.206 -0.024 -2.646 1.00 0.00 H new ATOM 0 HB ILE B 13 16.230 0.245 -4.835 1.00 0.00 H new ATOM 0 HG12 ILE B 13 13.334 1.174 -4.718 1.00 0.00 H new ATOM 0 HG13 ILE B 13 14.734 2.223 -4.604 1.00 0.00 H new ATOM 0 HG21 ILE B 13 14.623 -1.194 -6.109 1.00 0.00 H new ATOM 0 HG22 ILE B 13 15.284 -2.036 -4.686 1.00 0.00 H new ATOM 0 HG23 ILE B 13 13.636 -1.366 -4.638 1.00 0.00 H new ATOM 0 HD11 ILE B 13 13.767 2.294 -6.863 1.00 0.00 H new ATOM 0 HD12 ILE B 13 15.405 1.600 -6.913 1.00 0.00 H new ATOM 0 HD13 ILE B 13 13.984 0.536 -7.029 1.00 0.00 H new ATOM 940 N GLU B 14 17.475 -0.752 -2.383 1.00 0.00 N ATOM 941 CA GLU B 14 18.493 -1.669 -1.892 1.00 0.00 C ATOM 942 C GLU B 14 18.232 -1.985 -0.420 1.00 0.00 C ATOM 943 O GLU B 14 18.295 -3.145 -0.021 1.00 0.00 O ATOM 944 CB GLU B 14 19.890 -1.046 -2.043 1.00 0.00 C ATOM 945 CG GLU B 14 20.227 -0.605 -3.475 1.00 0.00 C ATOM 946 CD GLU B 14 20.568 -1.805 -4.349 1.00 0.00 C ATOM 947 OE1 GLU B 14 21.613 -2.435 -4.066 1.00 0.00 O ATOM 948 OE2 GLU B 14 19.839 -2.098 -5.321 1.00 0.00 O ATOM 0 H GLU B 14 17.867 0.119 -2.740 1.00 0.00 H new ATOM 0 HA GLU B 14 18.450 -2.588 -2.477 1.00 0.00 H new ATOM 0 HB2 GLU B 14 19.965 -0.183 -1.381 1.00 0.00 H new ATOM 0 HB3 GLU B 14 20.636 -1.768 -1.711 1.00 0.00 H new ATOM 0 HG2 GLU B 14 19.381 -0.068 -3.903 1.00 0.00 H new ATOM 0 HG3 GLU B 14 21.068 0.088 -3.458 1.00 0.00 H new ATOM 955 N ARG B 15 17.907 -0.968 0.394 1.00 0.00 N ATOM 956 CA ARG B 15 17.635 -1.159 1.822 1.00 0.00 C ATOM 957 C ARG B 15 16.411 -2.037 2.070 1.00 0.00 C ATOM 958 O ARG B 15 16.222 -2.489 3.203 1.00 0.00 O ATOM 959 CB ARG B 15 17.517 0.190 2.558 1.00 0.00 C ATOM 960 CG ARG B 15 18.736 1.117 2.416 1.00 0.00 C ATOM 961 CD ARG B 15 20.076 0.443 2.735 1.00 0.00 C ATOM 962 NE ARG B 15 21.204 1.328 2.398 1.00 0.00 N ATOM 963 CZ ARG B 15 22.261 1.033 1.630 1.00 0.00 C ATOM 964 NH1 ARG B 15 22.404 -0.163 1.064 1.00 0.00 N ATOM 965 NH2 ARG B 15 23.209 1.936 1.424 1.00 0.00 N ATOM 0 H ARG B 15 17.827 -0.000 0.082 1.00 0.00 H new ATOM 0 HA ARG B 15 18.492 -1.691 2.235 1.00 0.00 H new ATOM 0 HB2 ARG B 15 16.636 0.714 2.186 1.00 0.00 H new ATOM 0 HB3 ARG B 15 17.349 -0.005 3.617 1.00 0.00 H new ATOM 0 HG2 ARG B 15 18.769 1.502 1.397 1.00 0.00 H new ATOM 0 HG3 ARG B 15 18.606 1.974 3.077 1.00 0.00 H new ATOM 0 HD2 ARG B 15 20.115 0.185 3.793 1.00 0.00 H new ATOM 0 HD3 ARG B 15 20.161 -0.489 2.176 1.00 0.00 H new ATOM 0 HE ARG B 15 21.177 2.268 2.793 1.00 0.00 H new ATOM 0 HH11 ARG B 15 21.698 -0.884 1.210 1.00 0.00 H new ATOM 0 HH12 ARG B 15 23.220 -0.358 0.484 1.00 0.00 H new ATOM 0 HH21 ARG B 15 23.135 2.859 1.851 1.00 0.00 H new ATOM 0 HH22 ARG B 15 24.012 1.708 0.839 1.00 0.00 H new ATOM 979 N LEU B 16 15.561 -2.266 1.071 1.00 0.00 N ATOM 980 CA LEU B 16 14.387 -3.116 1.192 1.00 0.00 C ATOM 981 C LEU B 16 14.721 -4.495 0.627 1.00 0.00 C ATOM 982 O LEU B 16 14.204 -5.491 1.129 1.00 0.00 O ATOM 983 CB LEU B 16 13.184 -2.454 0.515 1.00 0.00 C ATOM 984 CG LEU B 16 12.616 -1.309 1.376 1.00 0.00 C ATOM 985 CD1 LEU B 16 11.714 -0.428 0.519 1.00 0.00 C ATOM 986 CD2 LEU B 16 11.839 -1.856 2.579 1.00 0.00 C ATOM 0 H LEU B 16 15.674 -1.859 0.143 1.00 0.00 H new ATOM 0 HA LEU B 16 14.107 -3.249 2.237 1.00 0.00 H new ATOM 0 HB2 LEU B 16 13.481 -2.066 -0.460 1.00 0.00 H new ATOM 0 HB3 LEU B 16 12.408 -3.199 0.339 1.00 0.00 H new ATOM 0 HG LEU B 16 13.446 -0.715 1.758 1.00 0.00 H new ATOM 0 HD11 LEU B 16 11.312 0.382 1.128 1.00 0.00 H new ATOM 0 HD12 LEU B 16 12.291 -0.010 -0.306 1.00 0.00 H new ATOM 0 HD13 LEU B 16 10.893 -1.025 0.122 1.00 0.00 H new ATOM 0 HD21 LEU B 16 11.450 -1.026 3.169 1.00 0.00 H new ATOM 0 HD22 LEU B 16 11.011 -2.472 2.228 1.00 0.00 H new ATOM 0 HD23 LEU B 16 12.503 -2.460 3.197 1.00 0.00 H new ATOM 998 N MET B 17 15.624 -4.591 -0.356 1.00 0.00 N ATOM 999 CA MET B 17 16.021 -5.873 -0.927 1.00 0.00 C ATOM 1000 C MET B 17 16.587 -6.768 0.179 1.00 0.00 C ATOM 1001 O MET B 17 16.195 -7.934 0.273 1.00 0.00 O ATOM 1002 CB MET B 17 17.073 -5.696 -2.029 1.00 0.00 C ATOM 1003 CG MET B 17 16.489 -5.111 -3.315 1.00 0.00 C ATOM 1004 SD MET B 17 17.634 -5.219 -4.710 1.00 0.00 S ATOM 1005 CE MET B 17 16.724 -4.251 -5.935 1.00 0.00 C ATOM 0 H MET B 17 16.094 -3.787 -0.772 1.00 0.00 H new ATOM 0 HA MET B 17 15.139 -6.334 -1.372 1.00 0.00 H new ATOM 0 HB2 MET B 17 17.867 -5.043 -1.666 1.00 0.00 H new ATOM 0 HB3 MET B 17 17.529 -6.661 -2.248 1.00 0.00 H new ATOM 0 HG2 MET B 17 15.568 -5.638 -3.564 1.00 0.00 H new ATOM 0 HG3 MET B 17 16.224 -4.067 -3.147 1.00 0.00 H new ATOM 0 HE1 MET B 17 16.995 -4.585 -6.937 1.00 0.00 H new ATOM 0 HE2 MET B 17 15.653 -4.388 -5.784 1.00 0.00 H new ATOM 0 HE3 MET B 17 16.974 -3.196 -5.824 1.00 0.00 H new ATOM 1015 N SER B 18 17.421 -6.200 1.064 1.00 0.00 N ATOM 1016 CA SER B 18 18.072 -6.880 2.188 1.00 0.00 C ATOM 1017 C SER B 18 17.109 -7.362 3.294 1.00 0.00 C ATOM 1018 O SER B 18 17.532 -7.773 4.379 1.00 0.00 O ATOM 1019 CB SER B 18 19.219 -6.022 2.759 1.00 0.00 C ATOM 1020 OG SER B 18 19.284 -4.697 2.243 1.00 0.00 O ATOM 0 H SER B 18 17.669 -5.212 1.011 1.00 0.00 H new ATOM 0 HA SER B 18 18.492 -7.797 1.774 1.00 0.00 H new ATOM 0 HB2 SER B 18 19.111 -5.971 3.842 1.00 0.00 H new ATOM 0 HB3 SER B 18 20.165 -6.523 2.556 1.00 0.00 H new ATOM 0 HG SER B 18 18.462 -4.216 2.473 1.00 0.00 H new ATOM 1026 N GLN B 19 15.799 -7.245 3.087 1.00 0.00 N ATOM 1027 CA GLN B 19 14.768 -7.678 4.023 1.00 0.00 C ATOM 1028 C GLN B 19 14.088 -8.956 3.521 1.00 0.00 C ATOM 1029 O GLN B 19 13.426 -9.641 4.302 1.00 0.00 O ATOM 1030 CB GLN B 19 13.712 -6.579 4.155 1.00 0.00 C ATOM 1031 CG GLN B 19 14.237 -5.192 4.553 1.00 0.00 C ATOM 1032 CD GLN B 19 14.631 -5.119 6.017 1.00 0.00 C ATOM 1033 OE1 GLN B 19 13.958 -4.489 6.829 1.00 0.00 O ATOM 1034 NE2 GLN B 19 15.756 -5.713 6.375 1.00 0.00 N ATOM 0 H GLN B 19 15.416 -6.833 2.236 1.00 0.00 H new ATOM 0 HA GLN B 19 15.235 -7.876 4.988 1.00 0.00 H new ATOM 0 HB2 GLN B 19 13.188 -6.489 3.204 1.00 0.00 H new ATOM 0 HB3 GLN B 19 12.977 -6.895 4.895 1.00 0.00 H new ATOM 0 HG2 GLN B 19 15.099 -4.942 3.935 1.00 0.00 H new ATOM 0 HG3 GLN B 19 13.471 -4.444 4.348 1.00 0.00 H new ATOM 0 HE21 GLN B 19 16.301 -6.231 5.686 1.00 0.00 H new ATOM 0 HE22 GLN B 19 16.080 -5.653 7.340 1.00 0.00 H new ATOM 1043 N GLY B 20 14.269 -9.302 2.245 1.00 0.00 N ATOM 1044 CA GLY B 20 13.653 -10.466 1.625 1.00 0.00 C ATOM 1045 C GLY B 20 12.448 -10.035 0.782 1.00 0.00 C ATOM 1046 O GLY B 20 11.718 -10.896 0.285 1.00 0.00 O ATOM 0 H GLY B 20 14.859 -8.769 1.606 1.00 0.00 H new ATOM 0 HA2 GLY B 20 14.380 -10.982 0.998 1.00 0.00 H new ATOM 0 HA3 GLY B 20 13.336 -11.172 2.393 1.00 0.00 H new ATOM 1050 N TYR B 21 12.185 -8.723 0.679 1.00 0.00 N ATOM 1051 CA TYR B 21 11.102 -8.168 -0.112 1.00 0.00 C ATOM 1052 C TYR B 21 11.681 -8.081 -1.530 1.00 0.00 C ATOM 1053 O TYR B 21 12.778 -7.533 -1.704 1.00 0.00 O ATOM 1054 CB TYR B 21 10.734 -6.756 0.353 1.00 0.00 C ATOM 1055 CG TYR B 21 10.389 -6.491 1.818 1.00 0.00 C ATOM 1056 CD1 TYR B 21 9.281 -7.096 2.443 1.00 0.00 C ATOM 1057 CD2 TYR B 21 11.078 -5.465 2.500 1.00 0.00 C ATOM 1058 CE1 TYR B 21 8.894 -6.683 3.735 1.00 0.00 C ATOM 1059 CE2 TYR B 21 10.693 -5.053 3.785 1.00 0.00 C ATOM 1060 CZ TYR B 21 9.598 -5.667 4.415 1.00 0.00 C ATOM 1061 OH TYR B 21 9.220 -5.260 5.658 1.00 0.00 O ATOM 0 H TYR B 21 12.738 -8.012 1.158 1.00 0.00 H new ATOM 0 HA TYR B 21 10.201 -8.776 -0.035 1.00 0.00 H new ATOM 0 HB2 TYR B 21 11.568 -6.104 0.095 1.00 0.00 H new ATOM 0 HB3 TYR B 21 9.881 -6.432 -0.243 1.00 0.00 H new ATOM 0 HD1 TYR B 21 8.730 -7.873 1.935 1.00 0.00 H new ATOM 0 HD2 TYR B 21 11.920 -4.986 2.022 1.00 0.00 H new ATOM 0 HE1 TYR B 21 8.046 -7.152 4.211 1.00 0.00 H new ATOM 0 HE2 TYR B 21 11.237 -4.267 4.288 1.00 0.00 H new ATOM 0 HH TYR B 21 9.823 -4.553 5.968 1.00 0.00 H new ATOM 1071 N SER B 22 11.010 -8.620 -2.539 1.00 0.00 N ATOM 1072 CA SER B 22 11.518 -8.581 -3.904 1.00 0.00 C ATOM 1073 C SER B 22 11.306 -7.210 -4.543 1.00 0.00 C ATOM 1074 O SER B 22 10.410 -6.453 -4.165 1.00 0.00 O ATOM 1075 CB SER B 22 10.860 -9.707 -4.701 1.00 0.00 C ATOM 1076 OG SER B 22 11.158 -10.936 -4.065 1.00 0.00 O ATOM 0 H SER B 22 10.111 -9.090 -2.438 1.00 0.00 H new ATOM 0 HA SER B 22 12.597 -8.739 -3.901 1.00 0.00 H new ATOM 0 HB2 SER B 22 9.782 -9.557 -4.750 1.00 0.00 H new ATOM 0 HB3 SER B 22 11.228 -9.711 -5.727 1.00 0.00 H new ATOM 0 HG SER B 22 10.742 -11.671 -4.562 1.00 0.00 H new ATOM 1082 N TYR B 23 12.125 -6.912 -5.553 1.00 0.00 N ATOM 1083 CA TYR B 23 12.122 -5.678 -6.326 1.00 0.00 C ATOM 1084 C TYR B 23 10.730 -5.345 -6.844 1.00 0.00 C ATOM 1085 O TYR B 23 10.331 -4.183 -6.784 1.00 0.00 O ATOM 1086 CB TYR B 23 13.133 -5.805 -7.468 1.00 0.00 C ATOM 1087 CG TYR B 23 13.162 -4.620 -8.411 1.00 0.00 C ATOM 1088 CD1 TYR B 23 13.681 -3.385 -7.982 1.00 0.00 C ATOM 1089 CD2 TYR B 23 12.684 -4.756 -9.727 1.00 0.00 C ATOM 1090 CE1 TYR B 23 13.746 -2.294 -8.867 1.00 0.00 C ATOM 1091 CE2 TYR B 23 12.752 -3.675 -10.620 1.00 0.00 C ATOM 1092 CZ TYR B 23 13.296 -2.439 -10.200 1.00 0.00 C ATOM 1093 OH TYR B 23 13.384 -1.389 -11.064 1.00 0.00 O ATOM 0 H TYR B 23 12.845 -7.563 -5.867 1.00 0.00 H new ATOM 0 HA TYR B 23 12.415 -4.850 -5.680 1.00 0.00 H new ATOM 0 HB2 TYR B 23 14.128 -5.941 -7.043 1.00 0.00 H new ATOM 0 HB3 TYR B 23 12.905 -6.704 -8.040 1.00 0.00 H new ATOM 0 HD1 TYR B 23 14.032 -3.274 -6.967 1.00 0.00 H new ATOM 0 HD2 TYR B 23 12.263 -5.696 -10.052 1.00 0.00 H new ATOM 0 HE1 TYR B 23 14.139 -1.347 -8.529 1.00 0.00 H new ATOM 0 HE2 TYR B 23 12.388 -3.788 -11.631 1.00 0.00 H new ATOM 0 HH TYR B 23 13.033 -1.655 -11.939 1.00 0.00 H new ATOM 1103 N GLN B 24 9.999 -6.362 -7.311 1.00 0.00 N ATOM 1104 CA GLN B 24 8.651 -6.211 -7.829 1.00 0.00 C ATOM 1105 C GLN B 24 7.757 -5.551 -6.785 1.00 0.00 C ATOM 1106 O GLN B 24 7.133 -4.537 -7.063 1.00 0.00 O ATOM 1107 CB GLN B 24 8.072 -7.571 -8.231 1.00 0.00 C ATOM 1108 CG GLN B 24 8.916 -8.312 -9.275 1.00 0.00 C ATOM 1109 CD GLN B 24 8.022 -9.290 -10.024 1.00 0.00 C ATOM 1110 OE1 GLN B 24 7.958 -10.481 -9.720 1.00 0.00 O ATOM 1111 NE2 GLN B 24 7.274 -8.781 -10.989 1.00 0.00 N ATOM 0 H GLN B 24 10.339 -7.323 -7.337 1.00 0.00 H new ATOM 0 HA GLN B 24 8.692 -5.576 -8.714 1.00 0.00 H new ATOM 0 HB2 GLN B 24 7.979 -8.194 -7.342 1.00 0.00 H new ATOM 0 HB3 GLN B 24 7.066 -7.426 -8.625 1.00 0.00 H new ATOM 0 HG2 GLN B 24 9.365 -7.602 -9.970 1.00 0.00 H new ATOM 0 HG3 GLN B 24 9.734 -8.844 -8.790 1.00 0.00 H new ATOM 0 HE21 GLN B 24 7.346 -7.790 -11.221 1.00 0.00 H new ATOM 0 HE22 GLN B 24 6.625 -9.379 -11.501 1.00 0.00 H new ATOM 1120 N ASP B 25 7.702 -6.109 -5.577 1.00 0.00 N ATOM 1121 CA ASP B 25 6.897 -5.587 -4.485 1.00 0.00 C ATOM 1122 C ASP B 25 7.320 -4.161 -4.179 1.00 0.00 C ATOM 1123 O ASP B 25 6.471 -3.278 -4.098 1.00 0.00 O ATOM 1124 CB ASP B 25 7.001 -6.501 -3.258 1.00 0.00 C ATOM 1125 CG ASP B 25 6.268 -7.813 -3.519 1.00 0.00 C ATOM 1126 OD1 ASP B 25 5.025 -7.811 -3.707 1.00 0.00 O ATOM 1127 OD2 ASP B 25 6.960 -8.842 -3.632 1.00 0.00 O ATOM 0 H ASP B 25 8.225 -6.949 -5.330 1.00 0.00 H new ATOM 0 HA ASP B 25 5.847 -5.568 -4.777 1.00 0.00 H new ATOM 0 HB2 ASP B 25 8.048 -6.699 -3.030 1.00 0.00 H new ATOM 0 HB3 ASP B 25 6.574 -6.004 -2.387 1.00 0.00 H new ATOM 1132 N ILE B 26 8.625 -3.906 -4.053 1.00 0.00 N ATOM 1133 CA ILE B 26 9.133 -2.569 -3.760 1.00 0.00 C ATOM 1134 C ILE B 26 8.600 -1.570 -4.812 1.00 0.00 C ATOM 1135 O ILE B 26 8.090 -0.508 -4.449 1.00 0.00 O ATOM 1136 CB ILE B 26 10.674 -2.577 -3.621 1.00 0.00 C ATOM 1137 CG1 ILE B 26 11.198 -3.586 -2.569 1.00 0.00 C ATOM 1138 CG2 ILE B 26 11.113 -1.180 -3.160 1.00 0.00 C ATOM 1139 CD1 ILE B 26 12.680 -3.948 -2.726 1.00 0.00 C ATOM 0 H ILE B 26 9.351 -4.616 -4.151 1.00 0.00 H new ATOM 0 HA ILE B 26 8.762 -2.233 -2.792 1.00 0.00 H new ATOM 0 HB ILE B 26 11.079 -2.865 -4.591 1.00 0.00 H new ATOM 0 HG12 ILE B 26 11.041 -3.170 -1.574 1.00 0.00 H new ATOM 0 HG13 ILE B 26 10.605 -4.498 -2.630 1.00 0.00 H new ATOM 0 HG21 ILE B 26 12.198 -1.156 -3.053 1.00 0.00 H new ATOM 0 HG22 ILE B 26 10.805 -0.440 -3.898 1.00 0.00 H new ATOM 0 HG23 ILE B 26 10.649 -0.951 -2.201 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.965 -4.659 -1.950 1.00 0.00 H new ATOM 0 HD12 ILE B 26 12.843 -4.396 -3.706 1.00 0.00 H new ATOM 0 HD13 ILE B 26 13.286 -3.047 -2.633 1.00 0.00 H new ATOM 1151 N GLN B 27 8.703 -1.913 -6.099 1.00 0.00 N ATOM 1152 CA GLN B 27 8.233 -1.102 -7.221 1.00 0.00 C ATOM 1153 C GLN B 27 6.707 -0.907 -7.126 1.00 0.00 C ATOM 1154 O GLN B 27 6.226 0.218 -7.270 1.00 0.00 O ATOM 1155 CB GLN B 27 8.604 -1.766 -8.562 1.00 0.00 C ATOM 1156 CG GLN B 27 10.094 -1.709 -8.925 1.00 0.00 C ATOM 1157 CD GLN B 27 10.494 -0.349 -9.493 1.00 0.00 C ATOM 1158 OE1 GLN B 27 10.356 -0.107 -10.687 1.00 0.00 O ATOM 1159 NE2 GLN B 27 10.999 0.561 -8.681 1.00 0.00 N ATOM 0 H GLN B 27 9.129 -2.791 -6.396 1.00 0.00 H new ATOM 0 HA GLN B 27 8.719 -0.127 -7.175 1.00 0.00 H new ATOM 0 HB2 GLN B 27 8.293 -2.810 -8.531 1.00 0.00 H new ATOM 0 HB3 GLN B 27 8.033 -1.287 -9.357 1.00 0.00 H new ATOM 0 HG2 GLN B 27 10.691 -1.921 -8.038 1.00 0.00 H new ATOM 0 HG3 GLN B 27 10.319 -2.487 -9.655 1.00 0.00 H new ATOM 0 HE21 GLN B 27 11.111 0.353 -7.689 1.00 0.00 H new ATOM 0 HE22 GLN B 27 11.277 1.472 -9.046 1.00 0.00 H new ATOM 1168 N LYS B 28 5.924 -1.969 -6.873 1.00 0.00 N ATOM 1169 CA LYS B 28 4.459 -1.887 -6.750 1.00 0.00 C ATOM 1170 C LYS B 28 4.093 -0.878 -5.662 1.00 0.00 C ATOM 1171 O LYS B 28 3.177 -0.077 -5.837 1.00 0.00 O ATOM 1172 CB LYS B 28 3.827 -3.264 -6.453 1.00 0.00 C ATOM 1173 CG LYS B 28 3.851 -4.210 -7.664 1.00 0.00 C ATOM 1174 CD LYS B 28 3.177 -5.578 -7.450 1.00 0.00 C ATOM 1175 CE LYS B 28 3.693 -6.460 -6.306 1.00 0.00 C ATOM 1176 NZ LYS B 28 2.974 -6.263 -5.028 1.00 0.00 N ATOM 0 H LYS B 28 6.291 -2.912 -6.748 1.00 0.00 H new ATOM 0 HA LYS B 28 4.056 -1.552 -7.706 1.00 0.00 H new ATOM 0 HB2 LYS B 28 4.359 -3.731 -5.624 1.00 0.00 H new ATOM 0 HB3 LYS B 28 2.796 -3.122 -6.130 1.00 0.00 H new ATOM 0 HG2 LYS B 28 3.364 -3.712 -8.502 1.00 0.00 H new ATOM 0 HG3 LYS B 28 4.889 -4.377 -7.952 1.00 0.00 H new ATOM 0 HD2 LYS B 28 2.113 -5.405 -7.286 1.00 0.00 H new ATOM 0 HD3 LYS B 28 3.268 -6.145 -8.377 1.00 0.00 H new ATOM 0 HE2 LYS B 28 3.610 -7.506 -6.601 1.00 0.00 H new ATOM 0 HE3 LYS B 28 4.752 -6.255 -6.151 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 3.244 -7.012 -4.359 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 3.223 -5.336 -4.629 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 1.949 -6.303 -5.197 1.00 0.00 H new ATOM 1190 N ALA B 29 4.792 -0.894 -4.528 1.00 0.00 N ATOM 1191 CA ALA B 29 4.498 0.048 -3.463 1.00 0.00 C ATOM 1192 C ALA B 29 4.861 1.470 -3.888 1.00 0.00 C ATOM 1193 O ALA B 29 4.061 2.371 -3.665 1.00 0.00 O ATOM 1194 CB ALA B 29 5.221 -0.351 -2.185 1.00 0.00 C ATOM 0 H ALA B 29 5.555 -1.542 -4.329 1.00 0.00 H new ATOM 0 HA ALA B 29 3.427 0.025 -3.262 1.00 0.00 H new ATOM 0 HB1 ALA B 29 4.990 0.366 -1.397 1.00 0.00 H new ATOM 0 HB2 ALA B 29 4.896 -1.345 -1.878 1.00 0.00 H new ATOM 0 HB3 ALA B 29 6.296 -0.360 -2.363 1.00 0.00 H new ATOM 1200 N LEU B 30 6.025 1.692 -4.513 1.00 0.00 N ATOM 1201 CA LEU B 30 6.456 3.026 -4.942 1.00 0.00 C ATOM 1202 C LEU B 30 5.456 3.670 -5.898 1.00 0.00 C ATOM 1203 O LEU B 30 5.038 4.805 -5.652 1.00 0.00 O ATOM 1204 CB LEU B 30 7.844 2.988 -5.608 1.00 0.00 C ATOM 1205 CG LEU B 30 9.025 2.874 -4.631 1.00 0.00 C ATOM 1206 CD1 LEU B 30 10.315 2.622 -5.421 1.00 0.00 C ATOM 1207 CD2 LEU B 30 9.211 4.135 -3.769 1.00 0.00 C ATOM 0 H LEU B 30 6.692 0.953 -4.734 1.00 0.00 H new ATOM 0 HA LEU B 30 6.513 3.631 -4.037 1.00 0.00 H new ATOM 0 HB2 LEU B 30 7.878 2.144 -6.297 1.00 0.00 H new ATOM 0 HB3 LEU B 30 7.970 3.892 -6.204 1.00 0.00 H new ATOM 0 HG LEU B 30 8.805 2.044 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU B 30 11.154 2.541 -4.731 1.00 0.00 H new ATOM 0 HD12 LEU B 30 10.220 1.695 -5.987 1.00 0.00 H new ATOM 0 HD13 LEU B 30 10.489 3.451 -6.108 1.00 0.00 H new ATOM 0 HD21 LEU B 30 10.059 3.996 -3.099 1.00 0.00 H new ATOM 0 HD22 LEU B 30 9.396 4.993 -4.415 1.00 0.00 H new ATOM 0 HD23 LEU B 30 8.310 4.310 -3.182 1.00 0.00 H new ATOM 1219 N VAL B 31 5.038 2.963 -6.951 1.00 0.00 N ATOM 1220 CA VAL B 31 4.095 3.496 -7.932 1.00 0.00 C ATOM 1221 C VAL B 31 2.739 3.858 -7.303 1.00 0.00 C ATOM 1222 O VAL B 31 2.065 4.773 -7.781 1.00 0.00 O ATOM 1223 CB VAL B 31 4.016 2.544 -9.146 1.00 0.00 C ATOM 1224 CG1 VAL B 31 3.310 1.212 -8.887 1.00 0.00 C ATOM 1225 CG2 VAL B 31 3.361 3.222 -10.347 1.00 0.00 C ATOM 0 H VAL B 31 5.343 2.009 -7.145 1.00 0.00 H new ATOM 0 HA VAL B 31 4.463 4.450 -8.309 1.00 0.00 H new ATOM 0 HB VAL B 31 5.059 2.308 -9.356 1.00 0.00 H new ATOM 0 HG11 VAL B 31 3.308 0.618 -9.801 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.835 0.668 -8.102 1.00 0.00 H new ATOM 0 HG13 VAL B 31 2.283 1.399 -8.574 1.00 0.00 H new ATOM 0 HG21 VAL B 31 3.322 2.523 -11.183 1.00 0.00 H new ATOM 0 HG22 VAL B 31 2.349 3.530 -10.084 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.944 4.098 -10.633 1.00 0.00 H new ATOM 1235 N ILE B 32 2.327 3.183 -6.231 1.00 0.00 N ATOM 1236 CA ILE B 32 1.065 3.447 -5.534 1.00 0.00 C ATOM 1237 C ILE B 32 1.282 4.500 -4.432 1.00 0.00 C ATOM 1238 O ILE B 32 0.343 5.188 -4.030 1.00 0.00 O ATOM 1239 CB ILE B 32 0.488 2.118 -4.996 1.00 0.00 C ATOM 1240 CG1 ILE B 32 0.198 1.109 -6.135 1.00 0.00 C ATOM 1241 CG2 ILE B 32 -0.806 2.415 -4.222 1.00 0.00 C ATOM 1242 CD1 ILE B 32 -0.117 -0.323 -5.683 1.00 0.00 C ATOM 0 H ILE B 32 2.868 2.425 -5.814 1.00 0.00 H new ATOM 0 HA ILE B 32 0.330 3.864 -6.222 1.00 0.00 H new ATOM 0 HB ILE B 32 1.230 1.663 -4.340 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -0.643 1.480 -6.720 1.00 0.00 H new ATOM 0 HG13 ILE B 32 1.061 1.080 -6.800 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -1.222 1.484 -3.838 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -0.587 3.085 -3.391 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -1.528 2.887 -4.888 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -0.304 -0.947 -6.557 1.00 0.00 H new ATOM 0 HD12 ILE B 32 0.730 -0.723 -5.126 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -1.001 -0.317 -5.045 1.00 0.00 H new ATOM 1254 N ALA B 33 2.504 4.662 -3.927 1.00 0.00 N ATOM 1255 CA ALA B 33 2.844 5.625 -2.893 1.00 0.00 C ATOM 1256 C ALA B 33 3.287 6.957 -3.500 1.00 0.00 C ATOM 1257 O ALA B 33 3.784 7.804 -2.764 1.00 0.00 O ATOM 1258 CB ALA B 33 3.920 5.038 -1.976 1.00 0.00 C ATOM 0 H ALA B 33 3.303 4.110 -4.238 1.00 0.00 H new ATOM 0 HA ALA B 33 1.955 5.830 -2.296 1.00 0.00 H new ATOM 0 HB1 ALA B 33 4.173 5.762 -1.202 1.00 0.00 H new ATOM 0 HB2 ALA B 33 3.544 4.126 -1.511 1.00 0.00 H new ATOM 0 HB3 ALA B 33 4.810 4.807 -2.561 1.00 0.00 H new ATOM 1264 N HIS B 34 3.119 7.156 -4.813 1.00 0.00 N ATOM 1265 CA HIS B 34 3.520 8.376 -5.522 1.00 0.00 C ATOM 1266 C HIS B 34 5.007 8.656 -5.229 1.00 0.00 C ATOM 1267 O HIS B 34 5.424 9.765 -4.886 1.00 0.00 O ATOM 1268 CB HIS B 34 2.580 9.551 -5.184 1.00 0.00 C ATOM 1269 CG HIS B 34 1.094 9.276 -5.303 1.00 0.00 C ATOM 1270 ND1 HIS B 34 0.112 9.928 -4.591 1.00 0.00 N ATOM 1271 CD2 HIS B 34 0.475 8.364 -6.121 1.00 0.00 C ATOM 1272 CE1 HIS B 34 -1.071 9.415 -4.973 1.00 0.00 C ATOM 1273 NE2 HIS B 34 -0.905 8.464 -5.911 1.00 0.00 N ATOM 0 H HIS B 34 2.692 6.459 -5.424 1.00 0.00 H new ATOM 0 HA HIS B 34 3.421 8.241 -6.599 1.00 0.00 H new ATOM 0 HB2 HIS B 34 2.788 9.873 -4.164 1.00 0.00 H new ATOM 0 HB3 HIS B 34 2.827 10.387 -5.839 1.00 0.00 H new ATOM 0 HD2 HIS B 34 0.966 7.689 -6.806 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -2.028 9.725 -4.579 1.00 0.00 H new ATOM 0 HE2 HIS B 34 -1.637 7.925 -6.375 1.00 0.00 H new ATOM 1281 N ASN B 35 5.825 7.602 -5.347 1.00 0.00 N ATOM 1282 CA ASN B 35 7.270 7.574 -5.111 1.00 0.00 C ATOM 1283 C ASN B 35 7.636 7.849 -3.646 1.00 0.00 C ATOM 1284 O ASN B 35 8.824 7.962 -3.341 1.00 0.00 O ATOM 1285 CB ASN B 35 8.041 8.511 -6.061 1.00 0.00 C ATOM 1286 CG ASN B 35 7.838 8.176 -7.527 1.00 0.00 C ATOM 1287 OD1 ASN B 35 7.980 7.029 -7.942 1.00 0.00 O ATOM 1288 ND2 ASN B 35 7.535 9.163 -8.350 1.00 0.00 N ATOM 0 H ASN B 35 5.470 6.688 -5.628 1.00 0.00 H new ATOM 0 HA ASN B 35 7.584 6.554 -5.335 1.00 0.00 H new ATOM 0 HB2 ASN B 35 7.725 9.539 -5.883 1.00 0.00 H new ATOM 0 HB3 ASN B 35 9.104 8.460 -5.827 1.00 0.00 H new ATOM 0 HD21 ASN B 35 7.416 8.978 -9.346 1.00 0.00 H new ATOM 0 HD22 ASN B 35 7.420 10.110 -7.990 1.00 0.00 H new ATOM 1295 N ASN B 36 6.666 7.974 -2.732 1.00 0.00 N ATOM 1296 CA ASN B 36 6.945 8.222 -1.326 1.00 0.00 C ATOM 1297 C ASN B 36 7.541 6.949 -0.740 1.00 0.00 C ATOM 1298 O ASN B 36 6.822 6.000 -0.430 1.00 0.00 O ATOM 1299 CB ASN B 36 5.723 8.712 -0.551 1.00 0.00 C ATOM 1300 CG ASN B 36 6.137 9.152 0.848 1.00 0.00 C ATOM 1301 OD1 ASN B 36 6.933 8.514 1.532 1.00 0.00 O ATOM 1302 ND2 ASN B 36 5.591 10.243 1.329 1.00 0.00 N ATOM 0 H ASN B 36 5.672 7.905 -2.952 1.00 0.00 H new ATOM 0 HA ASN B 36 7.661 9.039 -1.237 1.00 0.00 H new ATOM 0 HB2 ASN B 36 5.256 9.543 -1.079 1.00 0.00 H new ATOM 0 HB3 ASN B 36 4.980 7.917 -0.486 1.00 0.00 H new ATOM 0 HD21 ASN B 36 5.828 10.560 2.269 1.00 0.00 H new ATOM 0 HD22 ASN B 36 4.930 10.775 0.763 1.00 0.00 H new ATOM 1309 N ILE B 37 8.863 6.933 -0.615 1.00 0.00 N ATOM 1310 CA ILE B 37 9.640 5.823 -0.096 1.00 0.00 C ATOM 1311 C ILE B 37 9.226 5.430 1.323 1.00 0.00 C ATOM 1312 O ILE B 37 9.206 4.250 1.649 1.00 0.00 O ATOM 1313 CB ILE B 37 11.142 6.183 -0.208 1.00 0.00 C ATOM 1314 CG1 ILE B 37 12.072 5.087 0.345 1.00 0.00 C ATOM 1315 CG2 ILE B 37 11.522 7.498 0.496 1.00 0.00 C ATOM 1316 CD1 ILE B 37 11.977 3.785 -0.446 1.00 0.00 C ATOM 0 H ILE B 37 9.443 7.728 -0.885 1.00 0.00 H new ATOM 0 HA ILE B 37 9.443 4.933 -0.694 1.00 0.00 H new ATOM 0 HB ILE B 37 11.286 6.292 -1.283 1.00 0.00 H new ATOM 0 HG12 ILE B 37 13.101 5.445 0.326 1.00 0.00 H new ATOM 0 HG13 ILE B 37 11.820 4.894 1.388 1.00 0.00 H new ATOM 0 HG21 ILE B 37 12.589 7.681 0.373 1.00 0.00 H new ATOM 0 HG22 ILE B 37 10.959 8.322 0.057 1.00 0.00 H new ATOM 0 HG23 ILE B 37 11.287 7.424 1.558 1.00 0.00 H new ATOM 0 HD11 ILE B 37 12.653 3.047 -0.014 1.00 0.00 H new ATOM 0 HD12 ILE B 37 10.955 3.409 -0.406 1.00 0.00 H new ATOM 0 HD13 ILE B 37 12.256 3.969 -1.484 1.00 0.00 H new ATOM 1328 N GLU B 38 8.918 6.393 2.183 1.00 0.00 N ATOM 1329 CA GLU B 38 8.529 6.136 3.566 1.00 0.00 C ATOM 1330 C GLU B 38 7.161 5.474 3.619 1.00 0.00 C ATOM 1331 O GLU B 38 6.967 4.478 4.315 1.00 0.00 O ATOM 1332 CB GLU B 38 8.583 7.446 4.356 1.00 0.00 C ATOM 1333 CG GLU B 38 10.041 7.944 4.330 1.00 0.00 C ATOM 1334 CD GLU B 38 10.319 9.018 5.368 1.00 0.00 C ATOM 1335 OE1 GLU B 38 9.680 10.086 5.295 1.00 0.00 O ATOM 1336 OE2 GLU B 38 11.193 8.816 6.246 1.00 0.00 O ATOM 0 H GLU B 38 8.931 7.383 1.939 1.00 0.00 H new ATOM 0 HA GLU B 38 9.227 5.439 4.029 1.00 0.00 H new ATOM 0 HB2 GLU B 38 7.917 8.187 3.915 1.00 0.00 H new ATOM 0 HB3 GLU B 38 8.250 7.289 5.382 1.00 0.00 H new ATOM 0 HG2 GLU B 38 10.710 7.101 4.499 1.00 0.00 H new ATOM 0 HG3 GLU B 38 10.268 8.337 3.339 1.00 0.00 H new ATOM 1343 N MET B 39 6.222 6.022 2.854 1.00 0.00 N ATOM 1344 CA MET B 39 4.869 5.511 2.762 1.00 0.00 C ATOM 1345 C MET B 39 4.958 4.085 2.221 1.00 0.00 C ATOM 1346 O MET B 39 4.362 3.167 2.784 1.00 0.00 O ATOM 1347 CB MET B 39 4.086 6.438 1.833 1.00 0.00 C ATOM 1348 CG MET B 39 2.571 6.311 1.920 1.00 0.00 C ATOM 1349 SD MET B 39 1.785 7.754 1.137 1.00 0.00 S ATOM 1350 CE MET B 39 0.058 7.519 1.601 1.00 0.00 C ATOM 0 H MET B 39 6.387 6.845 2.274 1.00 0.00 H new ATOM 0 HA MET B 39 4.356 5.483 3.723 1.00 0.00 H new ATOM 0 HB2 MET B 39 4.362 7.469 2.057 1.00 0.00 H new ATOM 0 HB3 MET B 39 4.393 6.241 0.806 1.00 0.00 H new ATOM 0 HG2 MET B 39 2.245 5.395 1.427 1.00 0.00 H new ATOM 0 HG3 MET B 39 2.262 6.239 2.963 1.00 0.00 H new ATOM 0 HE1 MET B 39 -0.505 8.425 1.379 1.00 0.00 H new ATOM 0 HE2 MET B 39 -0.360 6.685 1.038 1.00 0.00 H new ATOM 0 HE3 MET B 39 -0.006 7.305 2.668 1.00 0.00 H new ATOM 1360 N ALA B 40 5.752 3.890 1.161 1.00 0.00 N ATOM 1361 CA ALA B 40 5.955 2.599 0.537 1.00 0.00 C ATOM 1362 C ALA B 40 6.554 1.619 1.548 1.00 0.00 C ATOM 1363 O ALA B 40 6.061 0.498 1.645 1.00 0.00 O ATOM 1364 CB ALA B 40 6.840 2.747 -0.704 1.00 0.00 C ATOM 0 H ALA B 40 6.275 4.643 0.714 1.00 0.00 H new ATOM 0 HA ALA B 40 4.996 2.197 0.212 1.00 0.00 H new ATOM 0 HB1 ALA B 40 6.986 1.770 -1.165 1.00 0.00 H new ATOM 0 HB2 ALA B 40 6.358 3.416 -1.417 1.00 0.00 H new ATOM 0 HB3 ALA B 40 7.806 3.160 -0.415 1.00 0.00 H new ATOM 1370 N LYS B 41 7.577 2.019 2.322 1.00 0.00 N ATOM 1371 CA LYS B 41 8.203 1.166 3.339 1.00 0.00 C ATOM 1372 C LYS B 41 7.120 0.635 4.279 1.00 0.00 C ATOM 1373 O LYS B 41 7.190 -0.536 4.652 1.00 0.00 O ATOM 1374 CB LYS B 41 9.302 1.924 4.119 1.00 0.00 C ATOM 1375 CG LYS B 41 10.651 1.994 3.378 1.00 0.00 C ATOM 1376 CD LYS B 41 11.598 3.035 3.990 1.00 0.00 C ATOM 1377 CE LYS B 41 12.942 3.118 3.250 1.00 0.00 C ATOM 1378 NZ LYS B 41 14.058 2.452 3.956 1.00 0.00 N ATOM 0 H LYS B 41 7.993 2.948 2.257 1.00 0.00 H new ATOM 0 HA LYS B 41 8.694 0.327 2.845 1.00 0.00 H new ATOM 0 HB2 LYS B 41 8.957 2.937 4.323 1.00 0.00 H new ATOM 0 HB3 LYS B 41 9.452 1.438 5.083 1.00 0.00 H new ATOM 0 HG2 LYS B 41 11.128 1.014 3.402 1.00 0.00 H new ATOM 0 HG3 LYS B 41 10.475 2.237 2.330 1.00 0.00 H new ATOM 0 HD2 LYS B 41 11.117 4.013 3.973 1.00 0.00 H new ATOM 0 HD3 LYS B 41 11.778 2.787 5.036 1.00 0.00 H new ATOM 0 HE2 LYS B 41 12.830 2.669 2.263 1.00 0.00 H new ATOM 0 HE3 LYS B 41 13.197 4.167 3.096 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 14.955 2.913 3.701 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 13.911 2.524 4.983 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 14.094 1.450 3.681 1.00 0.00 H new ATOM 1392 N ASN B 42 6.127 1.457 4.642 1.00 0.00 N ATOM 1393 CA ASN B 42 5.037 1.039 5.520 1.00 0.00 C ATOM 1394 C ASN B 42 4.134 0.032 4.807 1.00 0.00 C ATOM 1395 O ASN B 42 3.789 -0.981 5.412 1.00 0.00 O ATOM 1396 CB ASN B 42 4.259 2.241 6.087 1.00 0.00 C ATOM 1397 CG ASN B 42 5.080 3.000 7.126 1.00 0.00 C ATOM 1398 OD1 ASN B 42 5.929 2.427 7.804 1.00 0.00 O ATOM 1399 ND2 ASN B 42 4.889 4.291 7.287 1.00 0.00 N ATOM 0 H ASN B 42 6.060 2.427 4.334 1.00 0.00 H new ATOM 0 HA ASN B 42 5.469 0.535 6.384 1.00 0.00 H new ATOM 0 HB2 ASN B 42 3.986 2.915 5.275 1.00 0.00 H new ATOM 0 HB3 ASN B 42 3.330 1.894 6.539 1.00 0.00 H new ATOM 0 HD21 ASN B 42 5.443 4.807 7.970 1.00 0.00 H new ATOM 0 HD22 ASN B 42 4.186 4.776 6.729 1.00 0.00 H new ATOM 1406 N ILE B 43 3.762 0.248 3.534 1.00 0.00 N ATOM 1407 CA ILE B 43 2.910 -0.696 2.780 1.00 0.00 C ATOM 1408 C ILE B 43 3.595 -2.057 2.800 1.00 0.00 C ATOM 1409 O ILE B 43 3.029 -3.085 3.178 1.00 0.00 O ATOM 1410 CB ILE B 43 2.677 -0.267 1.302 1.00 0.00 C ATOM 1411 CG1 ILE B 43 2.061 1.143 1.209 1.00 0.00 C ATOM 1412 CG2 ILE B 43 1.793 -1.300 0.583 1.00 0.00 C ATOM 1413 CD1 ILE B 43 1.997 1.741 -0.195 1.00 0.00 C ATOM 0 H ILE B 43 4.038 1.072 3.000 1.00 0.00 H new ATOM 0 HA ILE B 43 1.930 -0.719 3.257 1.00 0.00 H new ATOM 0 HB ILE B 43 3.647 -0.229 0.806 1.00 0.00 H new ATOM 0 HG12 ILE B 43 1.050 1.107 1.616 1.00 0.00 H new ATOM 0 HG13 ILE B 43 2.637 1.815 1.845 1.00 0.00 H new ATOM 0 HG21 ILE B 43 1.637 -0.989 -0.450 1.00 0.00 H new ATOM 0 HG22 ILE B 43 2.284 -2.273 0.599 1.00 0.00 H new ATOM 0 HG23 ILE B 43 0.831 -1.371 1.090 1.00 0.00 H new ATOM 0 HD11 ILE B 43 1.547 2.733 -0.148 1.00 0.00 H new ATOM 0 HD12 ILE B 43 3.004 1.818 -0.604 1.00 0.00 H new ATOM 0 HD13 ILE B 43 1.393 1.099 -0.837 1.00 0.00 H new ATOM 1425 N LEU B 44 4.866 -2.038 2.416 1.00 0.00 N ATOM 1426 CA LEU B 44 5.723 -3.196 2.329 1.00 0.00 C ATOM 1427 C LEU B 44 5.866 -3.915 3.666 1.00 0.00 C ATOM 1428 O LEU B 44 6.160 -5.103 3.644 1.00 0.00 O ATOM 1429 CB LEU B 44 7.077 -2.766 1.747 1.00 0.00 C ATOM 1430 CG LEU B 44 6.941 -2.213 0.308 1.00 0.00 C ATOM 1431 CD1 LEU B 44 8.125 -1.334 -0.110 1.00 0.00 C ATOM 1432 CD2 LEU B 44 6.699 -3.331 -0.709 1.00 0.00 C ATOM 0 H LEU B 44 5.339 -1.175 2.147 1.00 0.00 H new ATOM 0 HA LEU B 44 5.266 -3.927 1.662 1.00 0.00 H new ATOM 0 HB2 LEU B 44 7.521 -2.004 2.388 1.00 0.00 H new ATOM 0 HB3 LEU B 44 7.758 -3.617 1.745 1.00 0.00 H new ATOM 0 HG LEU B 44 6.062 -1.569 0.317 1.00 0.00 H new ATOM 0 HD11 LEU B 44 7.971 -0.977 -1.128 1.00 0.00 H new ATOM 0 HD12 LEU B 44 8.202 -0.482 0.566 1.00 0.00 H new ATOM 0 HD13 LEU B 44 9.045 -1.917 -0.065 1.00 0.00 H new ATOM 0 HD21 LEU B 44 6.609 -2.902 -1.707 1.00 0.00 H new ATOM 0 HD22 LEU B 44 7.536 -4.029 -0.688 1.00 0.00 H new ATOM 0 HD23 LEU B 44 5.779 -3.859 -0.457 1.00 0.00 H new ATOM 1444 N ARG B 45 5.623 -3.262 4.807 1.00 0.00 N ATOM 1445 CA ARG B 45 5.731 -3.899 6.112 1.00 0.00 C ATOM 1446 C ARG B 45 4.402 -4.461 6.611 1.00 0.00 C ATOM 1447 O ARG B 45 4.447 -5.248 7.546 1.00 0.00 O ATOM 1448 CB ARG B 45 6.338 -2.914 7.125 1.00 0.00 C ATOM 1449 CG ARG B 45 7.196 -3.654 8.165 1.00 0.00 C ATOM 1450 CD ARG B 45 8.157 -2.683 8.856 1.00 0.00 C ATOM 1451 NE ARG B 45 9.269 -3.383 9.523 1.00 0.00 N ATOM 1452 CZ ARG B 45 9.640 -3.269 10.805 1.00 0.00 C ATOM 1453 NH1 ARG B 45 8.984 -2.481 11.652 1.00 0.00 N ATOM 1454 NH2 ARG B 45 10.678 -3.959 11.254 1.00 0.00 N ATOM 0 H ARG B 45 5.347 -2.281 4.846 1.00 0.00 H new ATOM 0 HA ARG B 45 6.395 -4.756 6.004 1.00 0.00 H new ATOM 0 HB2 ARG B 45 6.948 -2.178 6.602 1.00 0.00 H new ATOM 0 HB3 ARG B 45 5.541 -2.367 7.628 1.00 0.00 H new ATOM 0 HG2 ARG B 45 6.552 -4.127 8.906 1.00 0.00 H new ATOM 0 HG3 ARG B 45 7.761 -4.450 7.679 1.00 0.00 H new ATOM 0 HD2 ARG B 45 8.558 -1.985 8.120 1.00 0.00 H new ATOM 0 HD3 ARG B 45 7.609 -2.092 9.590 1.00 0.00 H new ATOM 0 HE ARG B 45 9.815 -4.023 8.946 1.00 0.00 H new ATOM 0 HH11 ARG B 45 8.178 -1.946 11.330 1.00 0.00 H new ATOM 0 HH12 ARG B 45 9.287 -2.412 12.623 1.00 0.00 H new ATOM 0 HH21 ARG B 45 11.192 -4.575 10.624 1.00 0.00 H new ATOM 0 HH22 ARG B 45 10.963 -3.874 12.230 1.00 0.00 H new ATOM 1468 N GLU B 46 3.253 -4.137 6.006 1.00 0.00 N ATOM 1469 CA GLU B 46 1.932 -4.634 6.443 1.00 0.00 C ATOM 1470 C GLU B 46 1.196 -5.450 5.372 1.00 0.00 C ATOM 1471 O GLU B 46 0.138 -6.020 5.641 1.00 0.00 O ATOM 1472 CB GLU B 46 1.056 -3.478 6.952 1.00 0.00 C ATOM 1473 CG GLU B 46 1.760 -2.664 8.054 1.00 0.00 C ATOM 1474 CD GLU B 46 0.855 -1.935 9.055 1.00 0.00 C ATOM 1475 OE1 GLU B 46 -0.247 -2.432 9.383 1.00 0.00 O ATOM 1476 OE2 GLU B 46 1.353 -0.953 9.654 1.00 0.00 O ATOM 0 H GLU B 46 3.208 -3.520 5.195 1.00 0.00 H new ATOM 0 HA GLU B 46 2.125 -5.324 7.264 1.00 0.00 H new ATOM 0 HB2 GLU B 46 0.804 -2.820 6.120 1.00 0.00 H new ATOM 0 HB3 GLU B 46 0.118 -3.877 7.339 1.00 0.00 H new ATOM 0 HG2 GLU B 46 2.411 -3.337 8.611 1.00 0.00 H new ATOM 0 HG3 GLU B 46 2.402 -1.925 7.574 1.00 0.00 H new ATOM 1483 N PHE B 47 1.744 -5.502 4.158 1.00 0.00 N ATOM 1484 CA PHE B 47 1.209 -6.252 3.030 1.00 0.00 C ATOM 1485 C PHE B 47 2.292 -7.263 2.690 1.00 0.00 C ATOM 1486 O PHE B 47 2.098 -8.461 2.861 1.00 0.00 O ATOM 1487 CB PHE B 47 0.788 -5.338 1.875 1.00 0.00 C ATOM 1488 CG PHE B 47 -0.573 -4.723 2.119 1.00 0.00 C ATOM 1489 CD1 PHE B 47 -0.713 -3.605 2.965 1.00 0.00 C ATOM 1490 CD2 PHE B 47 -1.721 -5.347 1.591 1.00 0.00 C ATOM 1491 CE1 PHE B 47 -1.994 -3.138 3.293 1.00 0.00 C ATOM 1492 CE2 PHE B 47 -3.000 -4.884 1.933 1.00 0.00 C ATOM 1493 CZ PHE B 47 -3.133 -3.779 2.787 1.00 0.00 C ATOM 0 H PHE B 47 2.604 -5.004 3.928 1.00 0.00 H new ATOM 0 HA PHE B 47 0.278 -6.768 3.265 1.00 0.00 H new ATOM 0 HB2 PHE B 47 1.528 -4.547 1.748 1.00 0.00 H new ATOM 0 HB3 PHE B 47 0.769 -5.909 0.947 1.00 0.00 H new ATOM 0 HD1 PHE B 47 0.162 -3.110 3.359 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -1.615 -6.186 0.919 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -2.103 -2.280 3.939 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -3.878 -5.376 1.541 1.00 0.00 H new ATOM 0 HZ PHE B 47 -4.116 -3.421 3.055 1.00 0.00 H new ATOM 1503 N SER B 48 3.458 -6.774 2.265 1.00 0.00 N ATOM 1504 CA SER B 48 4.613 -7.610 1.948 1.00 0.00 C ATOM 1505 C SER B 48 5.326 -8.017 3.262 1.00 0.00 C ATOM 1506 O SER B 48 6.366 -8.679 3.228 1.00 0.00 O ATOM 1507 CB SER B 48 5.545 -6.812 1.016 1.00 0.00 C ATOM 1508 OG SER B 48 5.824 -7.483 -0.193 1.00 0.00 O ATOM 0 H SER B 48 3.627 -5.777 2.130 1.00 0.00 H new ATOM 0 HA SER B 48 4.310 -8.525 1.439 1.00 0.00 H new ATOM 0 HB2 SER B 48 5.088 -5.848 0.793 1.00 0.00 H new ATOM 0 HB3 SER B 48 6.481 -6.608 1.536 1.00 0.00 H new ATOM 0 HG SER B 48 6.714 -7.225 -0.512 1.00 0.00 H new