USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1066 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 95 LYS NZ :NH3+ 150:sc= 1.05 (180deg=0) USER MOD Set 1.2: A 147 TYR OH : rot -4:sc= 1.22 USER MOD Set 2.1: A 114 GLN : amide:sc= -0.39 K(o=0.77,f=-0.65) USER MOD Set 2.2: A 118 ASN : amide:sc= 1.16 K(o=0.77,f=-0.65) USER MOD Set 3.1: A 37 ASN : amide:sc= -0.0412 K(o=0.39,f=-0.46) USER MOD Set 3.2: A 41 THR OG1 : rot 176:sc= 0.435 USER MOD Set 4.1: A 15 LYS NZ :NH3+ -155:sc= 0.412 (180deg=-0.164) USER MOD Set 4.2: A 24 TYR OH : rot -90:sc= 0 USER MOD Set 5.1: A 14 SER OG : rot 8:sc= 0.456 USER MOD Set 5.2: A 151 GLN : amide:sc= -0.213 X(o=0.24,f=0.26) USER MOD Set 6.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 73 HIS : no HD1:sc= -0.246 X(o=-0.25,f=0.015) USER MOD Single : A 10 THR OG1 : rot 29:sc= 0.306 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0877 X(o=-0.088,f=-0.088) USER MOD Single : A 18 THR OG1 : rot -7:sc= -0.0941 USER MOD Single : A 20 MET CE :methyl 156:sc= -1.74 (180deg=-2.81!) USER MOD Single : A 26 ASN : amide:sc= 0.427 K(o=0.43,f=-9.1!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.268 K(o=-0.27,f=-3.4!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -30:sc= 0.208 USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 48 LYS NZ :NH3+ -178:sc=-0.00104 (180deg=-0.0134) USER MOD Single : A 52 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00222) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 152:sc= -1.18 (180deg=-2.9!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -110:sc= 0.601 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.136 USER MOD Single : A 76 THR OG1 : rot -148:sc= -1.49! USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 82:sc= 1.15 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= -0.212 USER MOD Single : A 104 GLN : amide:sc= 0.26 X(o=0.26,f=0) USER MOD Single : A 115 THR OG1 : rot -32:sc= -0.11 USER MOD Single : A 117 LYS NZ :NH3+ 144:sc= -0.425 (180deg=-2.06!) USER MOD Single : A 119 TYR OH : rot -157:sc= 0.266 USER MOD Single : A 120 GLN : amide:sc= -2.15! K(o=-2.2!,f=-1.1) USER MOD Single : A 122 TYR OH : rot 180:sc= -0.0915 USER MOD Single : A 124 GLN : amide:sc= -2.07! K(o=-2.1!,f=-0.24) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= -0.0846 X(o=-0.085,f=0.0058) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 HIS : no HE2:sc= 0.106 K(o=0.15,f=-0.68) USER MOD Single : A 140 GLN : amide:sc= 0.347 K(o=0.35,f=-0.27) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 139 N THR A 10 -9.037 2.684 -10.624 1.00 34.32 N ATOM 140 CA THR A 10 -8.533 1.576 -11.461 1.00 1.50 C ATOM 141 C THR A 10 -7.040 1.338 -11.119 1.00 42.31 C ATOM 142 O THR A 10 -6.453 2.118 -10.352 1.00 4.44 O ATOM 143 CB THR A 10 -8.742 1.929 -12.985 1.00 51.24 C ATOM 144 OG1 THR A 10 -10.074 2.426 -13.170 1.00 34.33 O ATOM 145 CG2 THR A 10 -8.524 0.731 -13.941 1.00 2.14 C ATOM 0 HA THR A 10 -9.082 0.656 -11.261 1.00 1.50 H new ATOM 0 HB THR A 10 -7.989 2.676 -13.236 1.00 51.24 H new ATOM 0 HG1 THR A 10 -10.379 2.860 -12.346 1.00 34.33 H new ATOM 0 HG21 THR A 10 -8.686 1.052 -14.970 1.00 2.14 H new ATOM 0 HG22 THR A 10 -7.505 0.360 -13.833 1.00 2.14 H new ATOM 0 HG23 THR A 10 -9.228 -0.064 -13.695 1.00 2.14 H new ATOM 153 N THR A 11 -6.444 0.266 -11.681 1.00 21.43 N ATOM 154 CA THR A 11 -5.047 -0.135 -11.427 1.00 5.33 C ATOM 155 C THR A 11 -4.020 0.998 -11.666 1.00 0.55 C ATOM 156 O THR A 11 -2.976 0.994 -11.026 1.00 50.31 O ATOM 157 CB THR A 11 -4.677 -1.380 -12.300 1.00 0.45 C ATOM 158 OG1 THR A 11 -4.971 -1.102 -13.683 1.00 41.42 O ATOM 159 CG2 THR A 11 -5.442 -2.648 -11.850 1.00 32.11 C ATOM 0 H THR A 11 -6.927 -0.353 -12.332 1.00 21.43 H new ATOM 0 HA THR A 11 -4.991 -0.385 -10.367 1.00 5.33 H new ATOM 0 HB THR A 11 -3.612 -1.573 -12.173 1.00 0.45 H new ATOM 0 HG1 THR A 11 -4.738 -1.881 -14.230 1.00 41.42 H new ATOM 0 HG21 THR A 11 -5.156 -3.489 -12.482 1.00 32.11 H new ATOM 0 HG22 THR A 11 -5.195 -2.873 -10.813 1.00 32.11 H new ATOM 0 HG23 THR A 11 -6.515 -2.476 -11.938 1.00 32.11 H new ATOM 167 N TYR A 12 -4.334 1.976 -12.559 1.00 51.42 N ATOM 168 CA TYR A 12 -3.412 3.098 -12.866 1.00 51.30 C ATOM 169 C TYR A 12 -3.056 3.883 -11.579 1.00 43.32 C ATOM 170 O TYR A 12 -1.901 4.216 -11.356 1.00 2.34 O ATOM 171 CB TYR A 12 -3.993 4.052 -13.966 1.00 75.25 C ATOM 172 CG TYR A 12 -5.108 5.027 -13.508 1.00 43.23 C ATOM 173 CD1 TYR A 12 -6.456 4.674 -13.557 1.00 0.40 C ATOM 174 CD2 TYR A 12 -4.797 6.307 -13.014 1.00 11.21 C ATOM 175 CE1 TYR A 12 -7.447 5.551 -13.136 1.00 5.42 C ATOM 176 CE2 TYR A 12 -5.780 7.175 -12.590 1.00 32.31 C ATOM 177 CZ TYR A 12 -7.100 6.798 -12.652 1.00 63.50 C ATOM 178 OH TYR A 12 -8.077 7.682 -12.248 1.00 62.44 O ATOM 0 H TYR A 12 -5.214 2.008 -13.074 1.00 51.42 H new ATOM 0 HA TYR A 12 -2.496 2.666 -13.270 1.00 51.30 H new ATOM 0 HB2 TYR A 12 -3.172 4.639 -14.378 1.00 75.25 H new ATOM 0 HB3 TYR A 12 -4.386 3.440 -14.778 1.00 75.25 H new ATOM 0 HD1 TYR A 12 -6.735 3.699 -13.930 1.00 0.40 H new ATOM 0 HD2 TYR A 12 -3.764 6.617 -12.966 1.00 11.21 H new ATOM 0 HE1 TYR A 12 -8.486 5.259 -13.187 1.00 5.42 H new ATOM 0 HE2 TYR A 12 -5.513 8.150 -12.210 1.00 32.31 H new ATOM 0 HH TYR A 12 -7.659 8.511 -11.935 1.00 62.44 H new ATOM 188 N ALA A 13 -4.066 4.107 -10.718 1.00 51.15 N ATOM 189 CA ALA A 13 -3.922 4.911 -9.490 1.00 31.32 C ATOM 190 C ALA A 13 -2.951 4.241 -8.497 1.00 24.15 C ATOM 191 O ALA A 13 -2.136 4.912 -7.850 1.00 54.23 O ATOM 192 CB ALA A 13 -5.302 5.121 -8.846 1.00 21.41 C ATOM 0 H ALA A 13 -5.006 3.735 -10.854 1.00 51.15 H new ATOM 0 HA ALA A 13 -3.501 5.881 -9.755 1.00 31.32 H new ATOM 0 HB1 ALA A 13 -5.193 5.715 -7.939 1.00 21.41 H new ATOM 0 HB2 ALA A 13 -5.954 5.643 -9.546 1.00 21.41 H new ATOM 0 HB3 ALA A 13 -5.738 4.154 -8.596 1.00 21.41 H new ATOM 198 N SER A 14 -3.045 2.901 -8.417 1.00 60.24 N ATOM 199 CA SER A 14 -2.235 2.088 -7.498 1.00 52.32 C ATOM 200 C SER A 14 -0.844 1.756 -8.083 1.00 1.41 C ATOM 201 O SER A 14 0.108 1.571 -7.328 1.00 41.22 O ATOM 202 CB SER A 14 -3.010 0.798 -7.115 1.00 52.12 C ATOM 203 OG SER A 14 -3.437 0.073 -8.260 1.00 64.04 O ATOM 0 H SER A 14 -3.687 2.353 -8.990 1.00 60.24 H new ATOM 0 HA SER A 14 -2.057 2.674 -6.597 1.00 52.32 H new ATOM 0 HB2 SER A 14 -2.373 0.162 -6.500 1.00 52.12 H new ATOM 0 HB3 SER A 14 -3.877 1.062 -6.509 1.00 52.12 H new ATOM 0 HG SER A 14 -3.047 0.473 -9.065 1.00 64.04 H new ATOM 209 N LYS A 15 -0.733 1.688 -9.424 1.00 21.32 N ATOM 210 CA LYS A 15 0.532 1.323 -10.112 1.00 74.31 C ATOM 211 C LYS A 15 1.455 2.539 -10.302 1.00 75.23 C ATOM 212 O LYS A 15 2.690 2.404 -10.285 1.00 25.44 O ATOM 213 CB LYS A 15 0.256 0.597 -11.458 1.00 35.12 C ATOM 214 CG LYS A 15 -0.380 -0.807 -11.292 1.00 41.01 C ATOM 215 CD LYS A 15 0.462 -1.732 -10.374 1.00 51.41 C ATOM 216 CE LYS A 15 -0.182 -3.113 -10.149 1.00 4.02 C ATOM 217 NZ LYS A 15 0.646 -3.962 -9.241 1.00 12.45 N ATOM 0 H LYS A 15 -1.506 1.881 -10.060 1.00 21.32 H new ATOM 0 HA LYS A 15 1.060 0.623 -9.464 1.00 74.31 H new ATOM 0 HB2 LYS A 15 -0.405 1.216 -12.065 1.00 35.12 H new ATOM 0 HB3 LYS A 15 1.193 0.499 -12.006 1.00 35.12 H new ATOM 0 HG2 LYS A 15 -1.382 -0.702 -10.877 1.00 41.01 H new ATOM 0 HG3 LYS A 15 -0.488 -1.272 -12.272 1.00 41.01 H new ATOM 0 HD2 LYS A 15 1.451 -1.867 -10.813 1.00 51.41 H new ATOM 0 HD3 LYS A 15 0.605 -1.244 -9.410 1.00 51.41 H new ATOM 0 HE2 LYS A 15 -1.177 -2.986 -9.723 1.00 4.02 H new ATOM 0 HE3 LYS A 15 -0.307 -3.618 -11.107 1.00 4.02 H new ATOM 0 HZ1 LYS A 15 0.451 -4.966 -9.431 1.00 12.45 H new ATOM 0 HZ2 LYS A 15 1.654 -3.768 -9.408 1.00 12.45 H new ATOM 0 HZ3 LYS A 15 0.410 -3.744 -8.252 1.00 12.45 H new ATOM 231 N GLN A 16 0.860 3.729 -10.465 1.00 51.13 N ATOM 232 CA GLN A 16 1.620 4.993 -10.487 1.00 75.21 C ATOM 233 C GLN A 16 2.087 5.358 -9.062 1.00 24.11 C ATOM 234 O GLN A 16 2.960 6.204 -8.894 1.00 14.52 O ATOM 235 CB GLN A 16 0.789 6.139 -11.124 1.00 63.34 C ATOM 236 CG GLN A 16 0.392 5.914 -12.602 1.00 3.13 C ATOM 237 CD GLN A 16 1.582 5.687 -13.538 1.00 65.14 C ATOM 238 OE1 GLN A 16 2.144 6.633 -14.091 1.00 12.13 O ATOM 239 NE2 GLN A 16 1.970 4.432 -13.731 1.00 75.13 N ATOM 0 H GLN A 16 -0.146 3.846 -10.584 1.00 51.13 H new ATOM 0 HA GLN A 16 2.503 4.854 -11.110 1.00 75.21 H new ATOM 0 HB2 GLN A 16 -0.119 6.279 -10.537 1.00 63.34 H new ATOM 0 HB3 GLN A 16 1.360 7.065 -11.054 1.00 63.34 H new ATOM 0 HG2 GLN A 16 -0.274 5.053 -12.662 1.00 3.13 H new ATOM 0 HG3 GLN A 16 -0.173 6.778 -12.952 1.00 3.13 H new ATOM 0 HE21 GLN A 16 1.484 3.670 -13.258 1.00 75.13 H new ATOM 0 HE22 GLN A 16 2.754 4.230 -14.352 1.00 75.13 H new ATOM 248 N ALA A 17 1.486 4.704 -8.047 1.00 71.11 N ATOM 249 CA ALA A 17 1.953 4.755 -6.653 1.00 52.22 C ATOM 250 C ALA A 17 3.170 3.822 -6.459 1.00 3.42 C ATOM 251 O ALA A 17 4.209 4.233 -5.929 1.00 4.00 O ATOM 252 CB ALA A 17 0.809 4.368 -5.705 1.00 2.11 C ATOM 0 H ALA A 17 0.658 4.123 -8.176 1.00 71.11 H new ATOM 0 HA ALA A 17 2.267 5.772 -6.419 1.00 52.22 H new ATOM 0 HB1 ALA A 17 1.161 4.408 -4.674 1.00 2.11 H new ATOM 0 HB2 ALA A 17 -0.020 5.064 -5.832 1.00 2.11 H new ATOM 0 HB3 ALA A 17 0.472 3.357 -5.935 1.00 2.11 H new ATOM 258 N THR A 18 3.032 2.560 -6.933 1.00 53.21 N ATOM 259 CA THR A 18 4.113 1.543 -6.871 1.00 34.01 C ATOM 260 C THR A 18 5.329 1.947 -7.732 1.00 54.53 C ATOM 261 O THR A 18 6.426 1.398 -7.577 1.00 1.11 O ATOM 262 CB THR A 18 3.594 0.121 -7.302 1.00 74.30 C ATOM 263 OG1 THR A 18 3.114 0.121 -8.653 1.00 65.43 O ATOM 264 CG2 THR A 18 2.467 -0.373 -6.386 1.00 34.11 C ATOM 0 H THR A 18 2.174 2.219 -7.367 1.00 53.21 H new ATOM 0 HA THR A 18 4.434 1.492 -5.831 1.00 34.01 H new ATOM 0 HB THR A 18 4.448 -0.551 -7.220 1.00 74.30 H new ATOM 0 HG1 THR A 18 3.104 1.039 -8.997 1.00 65.43 H new ATOM 0 HG21 THR A 18 2.135 -1.358 -6.716 1.00 34.11 H new ATOM 0 HG22 THR A 18 2.833 -0.438 -5.361 1.00 34.11 H new ATOM 0 HG23 THR A 18 1.631 0.325 -6.429 1.00 34.11 H new ATOM 272 N ASP A 19 5.099 2.907 -8.650 1.00 54.22 N ATOM 273 CA ASP A 19 6.158 3.538 -9.456 1.00 41.53 C ATOM 274 C ASP A 19 7.300 4.092 -8.560 1.00 14.02 C ATOM 275 O ASP A 19 8.477 3.937 -8.890 1.00 13.11 O ATOM 276 CB ASP A 19 5.549 4.662 -10.328 1.00 14.52 C ATOM 277 CG ASP A 19 6.559 5.281 -11.305 1.00 13.44 C ATOM 278 OD1 ASP A 19 6.714 4.752 -12.430 1.00 40.23 O ATOM 279 OD2 ASP A 19 7.212 6.289 -10.962 1.00 54.43 O ATOM 0 H ASP A 19 4.166 3.267 -8.853 1.00 54.22 H new ATOM 0 HA ASP A 19 6.595 2.780 -10.105 1.00 41.53 H new ATOM 0 HB2 ASP A 19 4.707 4.260 -10.892 1.00 14.52 H new ATOM 0 HB3 ASP A 19 5.155 5.444 -9.679 1.00 14.52 H new ATOM 284 N MET A 20 6.935 4.720 -7.419 1.00 52.23 N ATOM 285 CA MET A 20 7.917 5.256 -6.438 1.00 22.33 C ATOM 286 C MET A 20 8.328 4.202 -5.391 1.00 4.12 C ATOM 287 O MET A 20 9.366 4.362 -4.747 1.00 62.44 O ATOM 288 CB MET A 20 7.381 6.533 -5.709 1.00 35.12 C ATOM 289 CG MET A 20 7.373 7.813 -6.563 1.00 3.31 C ATOM 290 SD MET A 20 6.122 7.806 -7.862 1.00 55.24 S ATOM 291 CE MET A 20 4.625 7.949 -6.891 1.00 70.01 C ATOM 0 H MET A 20 5.963 4.870 -7.151 1.00 52.23 H new ATOM 0 HA MET A 20 8.798 5.529 -7.019 1.00 22.33 H new ATOM 0 HB2 MET A 20 6.365 6.337 -5.365 1.00 35.12 H new ATOM 0 HB3 MET A 20 7.990 6.709 -4.822 1.00 35.12 H new ATOM 0 HG2 MET A 20 7.206 8.672 -5.913 1.00 3.31 H new ATOM 0 HG3 MET A 20 8.355 7.943 -7.017 1.00 3.31 H new ATOM 0 HE1 MET A 20 3.832 8.376 -7.505 1.00 70.01 H new ATOM 0 HE2 MET A 20 4.322 6.962 -6.543 1.00 70.01 H new ATOM 0 HE3 MET A 20 4.808 8.596 -6.033 1.00 70.01 H new ATOM 301 N GLY A 21 7.508 3.154 -5.205 1.00 44.50 N ATOM 302 CA GLY A 21 7.785 2.102 -4.219 1.00 41.03 C ATOM 303 C GLY A 21 6.760 2.123 -3.096 1.00 32.40 C ATOM 304 O GLY A 21 6.928 2.855 -2.110 1.00 45.14 O ATOM 0 H GLY A 21 6.644 3.015 -5.729 1.00 44.50 H new ATOM 0 HA2 GLY A 21 7.773 1.128 -4.708 1.00 41.03 H new ATOM 0 HA3 GLY A 21 8.784 2.240 -3.806 1.00 41.03 H new ATOM 308 N ALA A 22 5.703 1.318 -3.259 1.00 70.12 N ATOM 309 CA ALA A 22 4.551 1.267 -2.354 1.00 30.32 C ATOM 310 C ALA A 22 4.004 -0.174 -2.314 1.00 73.55 C ATOM 311 O ALA A 22 3.357 -0.609 -3.264 1.00 32.13 O ATOM 312 CB ALA A 22 3.480 2.261 -2.835 1.00 12.21 C ATOM 0 H ALA A 22 5.624 0.669 -4.042 1.00 70.12 H new ATOM 0 HA ALA A 22 4.847 1.550 -1.344 1.00 30.32 H new ATOM 0 HB1 ALA A 22 2.622 2.225 -2.163 1.00 12.21 H new ATOM 0 HB2 ALA A 22 3.895 3.269 -2.840 1.00 12.21 H new ATOM 0 HB3 ALA A 22 3.163 1.995 -3.843 1.00 12.21 H new ATOM 318 N ILE A 23 4.259 -0.914 -1.212 1.00 62.45 N ATOM 319 CA ILE A 23 4.043 -2.389 -1.172 1.00 52.24 C ATOM 320 C ILE A 23 2.565 -2.766 -0.952 1.00 2.32 C ATOM 321 O ILE A 23 1.782 -1.980 -0.410 1.00 14.15 O ATOM 322 CB ILE A 23 4.982 -3.089 -0.094 1.00 32.31 C ATOM 323 CG1 ILE A 23 4.788 -2.512 1.364 1.00 13.04 C ATOM 324 CG2 ILE A 23 6.468 -2.984 -0.535 1.00 25.35 C ATOM 325 CD1 ILE A 23 3.711 -3.182 2.210 1.00 63.02 C ATOM 0 H ILE A 23 4.613 -0.522 -0.339 1.00 62.45 H new ATOM 0 HA ILE A 23 4.321 -2.767 -2.156 1.00 52.24 H new ATOM 0 HB ILE A 23 4.689 -4.138 -0.048 1.00 32.31 H new ATOM 0 HG12 ILE A 23 5.738 -2.589 1.893 1.00 13.04 H new ATOM 0 HG13 ILE A 23 4.552 -1.451 1.285 1.00 13.04 H new ATOM 0 HG21 ILE A 23 7.103 -3.466 0.209 1.00 25.35 H new ATOM 0 HG22 ILE A 23 6.598 -3.478 -1.498 1.00 25.35 H new ATOM 0 HG23 ILE A 23 6.747 -1.934 -0.626 1.00 25.35 H new ATOM 0 HD11 ILE A 23 3.668 -2.704 3.189 1.00 63.02 H new ATOM 0 HD12 ILE A 23 2.745 -3.083 1.715 1.00 63.02 H new ATOM 0 HD13 ILE A 23 3.949 -4.239 2.332 1.00 63.02 H new ATOM 337 N TYR A 24 2.200 -3.989 -1.386 1.00 74.34 N ATOM 338 CA TYR A 24 0.848 -4.541 -1.217 1.00 53.25 C ATOM 339 C TYR A 24 0.839 -5.580 -0.086 1.00 54.24 C ATOM 340 O TYR A 24 1.615 -6.555 -0.109 1.00 23.23 O ATOM 341 CB TYR A 24 0.346 -5.217 -2.522 1.00 72.15 C ATOM 342 CG TYR A 24 0.110 -4.270 -3.711 1.00 64.51 C ATOM 343 CD1 TYR A 24 -0.973 -3.384 -3.723 1.00 33.00 C ATOM 344 CD2 TYR A 24 0.937 -4.296 -4.837 1.00 34.24 C ATOM 345 CE1 TYR A 24 -1.217 -2.568 -4.815 1.00 74.22 C ATOM 346 CE2 TYR A 24 0.701 -3.478 -5.919 1.00 22.24 C ATOM 347 CZ TYR A 24 -0.374 -2.619 -5.908 1.00 15.33 C ATOM 348 OH TYR A 24 -0.609 -1.817 -7.005 1.00 52.23 O ATOM 0 H TYR A 24 2.841 -4.622 -1.865 1.00 74.34 H new ATOM 0 HA TYR A 24 0.184 -3.713 -0.971 1.00 53.25 H new ATOM 0 HB2 TYR A 24 1.072 -5.973 -2.821 1.00 72.15 H new ATOM 0 HB3 TYR A 24 -0.586 -5.738 -2.305 1.00 72.15 H new ATOM 0 HD1 TYR A 24 -1.629 -3.336 -2.867 1.00 33.00 H new ATOM 0 HD2 TYR A 24 1.779 -4.972 -4.859 1.00 34.24 H new ATOM 0 HE1 TYR A 24 -2.062 -1.895 -4.812 1.00 74.22 H new ATOM 0 HE2 TYR A 24 1.359 -3.510 -6.775 1.00 22.24 H new ATOM 0 HH TYR A 24 -1.188 -2.291 -7.639 1.00 52.23 H new ATOM 358 N VAL A 25 -0.049 -5.364 0.881 1.00 12.41 N ATOM 359 CA VAL A 25 -0.407 -6.352 1.906 1.00 73.15 C ATOM 360 C VAL A 25 -1.865 -6.771 1.685 1.00 54.31 C ATOM 361 O VAL A 25 -2.603 -6.071 1.005 1.00 33.52 O ATOM 362 CB VAL A 25 -0.221 -5.783 3.361 1.00 13.31 C ATOM 363 CG1 VAL A 25 1.253 -5.431 3.636 1.00 60.43 C ATOM 364 CG2 VAL A 25 -1.157 -4.578 3.649 1.00 25.24 C ATOM 0 H VAL A 25 -0.552 -4.482 0.980 1.00 12.41 H new ATOM 0 HA VAL A 25 0.257 -7.211 1.813 1.00 73.15 H new ATOM 0 HB VAL A 25 -0.512 -6.575 4.052 1.00 13.31 H new ATOM 0 HG11 VAL A 25 1.351 -5.040 4.649 1.00 60.43 H new ATOM 0 HG12 VAL A 25 1.866 -6.326 3.531 1.00 60.43 H new ATOM 0 HG13 VAL A 25 1.586 -4.677 2.923 1.00 60.43 H new ATOM 0 HG21 VAL A 25 -0.990 -4.222 4.666 1.00 25.24 H new ATOM 0 HG22 VAL A 25 -0.944 -3.775 2.944 1.00 25.24 H new ATOM 0 HG23 VAL A 25 -2.196 -4.890 3.540 1.00 25.24 H new ATOM 374 N ASN A 26 -2.272 -7.918 2.225 1.00 24.45 N ATOM 375 CA ASN A 26 -3.691 -8.343 2.190 1.00 44.32 C ATOM 376 C ASN A 26 -4.426 -7.833 3.442 1.00 14.32 C ATOM 377 O ASN A 26 -3.890 -7.001 4.191 1.00 21.43 O ATOM 378 CB ASN A 26 -3.787 -9.891 2.053 1.00 63.10 C ATOM 379 CG ASN A 26 -3.209 -10.689 3.227 1.00 54.33 C ATOM 380 OD1 ASN A 26 -2.333 -10.224 3.946 1.00 20.43 O ATOM 381 ND2 ASN A 26 -3.688 -11.908 3.422 1.00 61.42 N ATOM 0 H ASN A 26 -1.649 -8.576 2.694 1.00 24.45 H new ATOM 0 HA ASN A 26 -4.178 -7.906 1.318 1.00 44.32 H new ATOM 0 HB2 ASN A 26 -4.835 -10.164 1.930 1.00 63.10 H new ATOM 0 HB3 ASN A 26 -3.270 -10.191 1.141 1.00 63.10 H new ATOM 0 HD21 ASN A 26 -3.327 -12.482 4.184 1.00 61.42 H new ATOM 0 HD22 ASN A 26 -4.418 -12.273 2.810 1.00 61.42 H new ATOM 388 N SER A 27 -5.649 -8.344 3.654 1.00 23.32 N ATOM 389 CA SER A 27 -6.476 -8.026 4.835 1.00 71.04 C ATOM 390 C SER A 27 -5.798 -8.482 6.146 1.00 64.42 C ATOM 391 O SER A 27 -6.144 -7.999 7.224 1.00 72.05 O ATOM 392 CB SER A 27 -7.846 -8.712 4.686 1.00 65.02 C ATOM 393 OG SER A 27 -7.672 -10.113 4.578 1.00 60.24 O ATOM 0 H SER A 27 -6.097 -8.994 3.008 1.00 23.32 H new ATOM 0 HA SER A 27 -6.599 -6.944 4.889 1.00 71.04 H new ATOM 0 HB2 SER A 27 -8.475 -8.480 5.546 1.00 65.02 H new ATOM 0 HB3 SER A 27 -8.360 -8.331 3.803 1.00 65.02 H new ATOM 0 HG SER A 27 -8.547 -10.545 4.485 1.00 60.24 H new ATOM 399 N LYS A 28 -4.861 -9.447 6.040 1.00 1.33 N ATOM 400 CA LYS A 28 -4.053 -9.909 7.181 1.00 73.04 C ATOM 401 C LYS A 28 -2.886 -8.948 7.444 1.00 3.03 C ATOM 402 O LYS A 28 -2.569 -8.662 8.580 1.00 1.15 O ATOM 403 CB LYS A 28 -3.528 -11.351 6.939 1.00 42.04 C ATOM 404 CG LYS A 28 -4.637 -12.401 6.709 1.00 61.12 C ATOM 405 CD LYS A 28 -5.651 -12.475 7.872 1.00 33.25 C ATOM 406 CE LYS A 28 -6.718 -13.561 7.649 1.00 32.41 C ATOM 407 NZ LYS A 28 -7.720 -13.576 8.751 1.00 71.00 N ATOM 0 H LYS A 28 -4.646 -9.924 5.164 1.00 1.33 H new ATOM 0 HA LYS A 28 -4.692 -9.923 8.064 1.00 73.04 H new ATOM 0 HB2 LYS A 28 -2.866 -11.343 6.073 1.00 42.04 H new ATOM 0 HB3 LYS A 28 -2.928 -11.655 7.797 1.00 42.04 H new ATOM 0 HG2 LYS A 28 -5.168 -12.164 5.787 1.00 61.12 H new ATOM 0 HG3 LYS A 28 -4.179 -13.380 6.571 1.00 61.12 H new ATOM 0 HD2 LYS A 28 -5.120 -12.677 8.802 1.00 33.25 H new ATOM 0 HD3 LYS A 28 -6.139 -11.507 7.987 1.00 33.25 H new ATOM 0 HE2 LYS A 28 -7.223 -13.387 6.699 1.00 32.41 H new ATOM 0 HE3 LYS A 28 -6.237 -14.537 7.580 1.00 32.41 H new ATOM 0 HZ1 LYS A 28 -8.424 -14.319 8.570 1.00 71.00 H new ATOM 0 HZ2 LYS A 28 -7.240 -13.767 9.654 1.00 71.00 H new ATOM 0 HZ3 LYS A 28 -8.196 -12.653 8.800 1.00 71.00 H new ATOM 421 N GLY A 29 -2.279 -8.412 6.379 1.00 14.04 N ATOM 422 CA GLY A 29 -1.079 -7.559 6.503 1.00 13.11 C ATOM 423 C GLY A 29 0.177 -8.292 6.078 1.00 73.34 C ATOM 424 O GLY A 29 1.290 -7.852 6.344 1.00 23.33 O ATOM 0 H GLY A 29 -2.595 -8.551 5.419 1.00 14.04 H new ATOM 0 HA2 GLY A 29 -1.203 -6.665 5.891 1.00 13.11 H new ATOM 0 HA3 GLY A 29 -0.974 -7.226 7.536 1.00 13.11 H new ATOM 428 N ASP A 30 -0.030 -9.439 5.433 1.00 10.22 N ATOM 429 CA ASP A 30 1.031 -10.269 4.859 1.00 20.23 C ATOM 430 C ASP A 30 1.352 -9.795 3.435 1.00 14.34 C ATOM 431 O ASP A 30 0.431 -9.481 2.660 1.00 42.12 O ATOM 432 CB ASP A 30 0.571 -11.751 4.851 1.00 34.53 C ATOM 433 CG ASP A 30 1.622 -12.729 4.297 1.00 74.43 C ATOM 434 OD1 ASP A 30 2.685 -12.867 4.928 1.00 22.23 O ATOM 435 OD2 ASP A 30 1.380 -13.379 3.248 1.00 74.34 O ATOM 0 H ASP A 30 -0.962 -9.827 5.291 1.00 10.22 H new ATOM 0 HA ASP A 30 1.935 -10.181 5.461 1.00 20.23 H new ATOM 0 HB2 ASP A 30 0.315 -12.047 5.868 1.00 34.53 H new ATOM 0 HB3 ASP A 30 -0.338 -11.835 4.256 1.00 34.53 H new ATOM 440 N ARG A 31 2.652 -9.711 3.110 1.00 61.04 N ATOM 441 CA ARG A 31 3.109 -9.438 1.740 1.00 54.33 C ATOM 442 C ARG A 31 2.660 -10.601 0.819 1.00 13.53 C ATOM 443 O ARG A 31 3.054 -11.753 1.021 1.00 34.42 O ATOM 444 CB ARG A 31 4.666 -9.194 1.671 1.00 12.34 C ATOM 445 CG ARG A 31 5.613 -10.416 1.887 1.00 44.41 C ATOM 446 CD ARG A 31 5.552 -11.060 3.293 1.00 12.32 C ATOM 447 NE ARG A 31 6.549 -12.146 3.428 1.00 4.21 N ATOM 448 CZ ARG A 31 6.443 -13.243 4.216 1.00 31.20 C ATOM 449 NH1 ARG A 31 5.378 -13.448 4.975 1.00 42.13 N ATOM 450 NH2 ARG A 31 7.407 -14.153 4.209 1.00 51.41 N ATOM 0 H ARG A 31 3.409 -9.829 3.783 1.00 61.04 H new ATOM 0 HA ARG A 31 2.651 -8.512 1.391 1.00 54.33 H new ATOM 0 HB2 ARG A 31 4.893 -8.765 0.695 1.00 12.34 H new ATOM 0 HB3 ARG A 31 4.919 -8.441 2.417 1.00 12.34 H new ATOM 0 HG2 ARG A 31 5.371 -11.178 1.146 1.00 44.41 H new ATOM 0 HG3 ARG A 31 6.638 -10.099 1.695 1.00 44.41 H new ATOM 0 HD2 ARG A 31 5.734 -10.299 4.052 1.00 12.32 H new ATOM 0 HD3 ARG A 31 4.552 -11.456 3.471 1.00 12.32 H new ATOM 0 HE ARG A 31 7.400 -12.060 2.873 1.00 4.21 H new ATOM 0 HH11 ARG A 31 4.614 -12.772 4.975 1.00 42.13 H new ATOM 0 HH12 ARG A 31 5.321 -14.282 5.560 1.00 42.13 H new ATOM 0 HH21 ARG A 31 8.224 -14.026 3.612 1.00 51.41 H new ATOM 0 HH22 ARG A 31 7.332 -14.980 4.801 1.00 51.41 H new ATOM 464 N ILE A 32 1.755 -10.306 -0.128 1.00 63.14 N ATOM 465 CA ILE A 32 1.155 -11.330 -1.023 1.00 74.21 C ATOM 466 C ILE A 32 1.838 -11.377 -2.396 1.00 13.25 C ATOM 467 O ILE A 32 1.659 -12.333 -3.146 1.00 4.14 O ATOM 468 CB ILE A 32 -0.389 -11.093 -1.209 1.00 51.52 C ATOM 469 CG1 ILE A 32 -0.693 -9.655 -1.763 1.00 61.15 C ATOM 470 CG2 ILE A 32 -1.125 -11.353 0.120 1.00 33.04 C ATOM 471 CD1 ILE A 32 -2.153 -9.401 -2.116 1.00 43.52 C ATOM 0 H ILE A 32 1.415 -9.360 -0.301 1.00 63.14 H new ATOM 0 HA ILE A 32 1.313 -12.292 -0.534 1.00 74.21 H new ATOM 0 HB ILE A 32 -0.757 -11.800 -1.953 1.00 51.52 H new ATOM 0 HG12 ILE A 32 -0.381 -8.921 -1.020 1.00 61.15 H new ATOM 0 HG13 ILE A 32 -0.085 -9.487 -2.652 1.00 61.15 H new ATOM 0 HG21 ILE A 32 -2.193 -11.187 -0.017 1.00 33.04 H new ATOM 0 HG22 ILE A 32 -0.955 -12.383 0.434 1.00 33.04 H new ATOM 0 HG23 ILE A 32 -0.747 -10.674 0.884 1.00 33.04 H new ATOM 0 HD11 ILE A 32 -2.265 -8.383 -2.489 1.00 43.52 H new ATOM 0 HD12 ILE A 32 -2.470 -10.106 -2.884 1.00 43.52 H new ATOM 0 HD13 ILE A 32 -2.770 -9.531 -1.227 1.00 43.52 H new ATOM 483 N VAL A 33 2.625 -10.350 -2.708 1.00 41.51 N ATOM 484 CA VAL A 33 3.246 -10.172 -4.033 1.00 1.05 C ATOM 485 C VAL A 33 4.547 -9.349 -3.886 1.00 10.10 C ATOM 486 O VAL A 33 4.769 -8.707 -2.844 1.00 0.25 O ATOM 487 CB VAL A 33 2.226 -9.476 -5.034 1.00 10.03 C ATOM 488 CG1 VAL A 33 1.860 -8.049 -4.576 1.00 33.03 C ATOM 489 CG2 VAL A 33 2.728 -9.500 -6.499 1.00 71.13 C ATOM 0 H VAL A 33 2.856 -9.608 -2.048 1.00 41.51 H new ATOM 0 HA VAL A 33 3.500 -11.146 -4.451 1.00 1.05 H new ATOM 0 HB VAL A 33 1.311 -10.068 -5.010 1.00 10.03 H new ATOM 0 HG11 VAL A 33 1.161 -7.607 -5.286 1.00 33.03 H new ATOM 0 HG12 VAL A 33 1.398 -8.091 -3.590 1.00 33.03 H new ATOM 0 HG13 VAL A 33 2.762 -7.440 -4.528 1.00 33.03 H new ATOM 0 HG21 VAL A 33 1.996 -9.013 -7.143 1.00 71.13 H new ATOM 0 HG22 VAL A 33 3.679 -8.972 -6.566 1.00 71.13 H new ATOM 0 HG23 VAL A 33 2.863 -10.533 -6.820 1.00 71.13 H new ATOM 499 N ASN A 34 5.398 -9.380 -4.931 1.00 31.44 N ATOM 500 CA ASN A 34 6.632 -8.555 -5.062 1.00 65.31 C ATOM 501 C ASN A 34 6.331 -7.062 -5.381 1.00 72.02 C ATOM 502 O ASN A 34 7.174 -6.368 -5.966 1.00 55.11 O ATOM 503 CB ASN A 34 7.530 -9.177 -6.177 1.00 41.32 C ATOM 504 CG ASN A 34 6.839 -9.374 -7.545 1.00 65.02 C ATOM 505 OD1 ASN A 34 5.871 -8.689 -7.896 1.00 42.04 O ATOM 506 ND2 ASN A 34 7.344 -10.312 -8.333 1.00 43.14 N ATOM 0 H ASN A 34 5.249 -9.993 -5.732 1.00 31.44 H new ATOM 0 HA ASN A 34 7.147 -8.563 -4.102 1.00 65.31 H new ATOM 0 HB2 ASN A 34 8.402 -8.538 -6.317 1.00 41.32 H new ATOM 0 HB3 ASN A 34 7.895 -10.144 -5.830 1.00 41.32 H new ATOM 0 HD21 ASN A 34 6.934 -10.482 -9.251 1.00 43.14 H new ATOM 0 HD22 ASN A 34 8.143 -10.864 -8.021 1.00 43.14 H new ATOM 513 N GLU A 35 5.142 -6.586 -4.955 1.00 71.35 N ATOM 514 CA GLU A 35 4.609 -5.244 -5.230 1.00 64.00 C ATOM 515 C GLU A 35 4.301 -5.066 -6.736 1.00 1.12 C ATOM 516 O GLU A 35 3.149 -5.221 -7.173 1.00 65.53 O ATOM 517 CB GLU A 35 5.548 -4.122 -4.698 1.00 23.05 C ATOM 518 CG GLU A 35 5.037 -2.699 -4.956 1.00 11.32 C ATOM 519 CD GLU A 35 6.100 -1.630 -4.693 1.00 43.34 C ATOM 520 OE1 GLU A 35 6.706 -1.622 -3.599 1.00 1.40 O ATOM 521 OE2 GLU A 35 6.356 -0.802 -5.593 1.00 63.24 O ATOM 0 H GLU A 35 4.507 -7.150 -4.390 1.00 71.35 H new ATOM 0 HA GLU A 35 3.670 -5.149 -4.685 1.00 64.00 H new ATOM 0 HB2 GLU A 35 5.686 -4.257 -3.625 1.00 23.05 H new ATOM 0 HB3 GLU A 35 6.528 -4.234 -5.162 1.00 23.05 H new ATOM 0 HG2 GLU A 35 4.698 -2.621 -5.989 1.00 11.32 H new ATOM 0 HG3 GLU A 35 4.172 -2.508 -4.321 1.00 11.32 H new ATOM 528 N SER A 36 5.352 -4.780 -7.525 1.00 12.53 N ATOM 529 CA SER A 36 5.226 -4.470 -8.952 1.00 3.22 C ATOM 530 C SER A 36 5.974 -5.522 -9.794 1.00 60.52 C ATOM 531 O SER A 36 7.111 -5.889 -9.477 1.00 15.53 O ATOM 532 CB SER A 36 5.758 -3.041 -9.237 1.00 70.34 C ATOM 533 OG SER A 36 5.524 -2.660 -10.585 1.00 20.24 O ATOM 0 H SER A 36 6.314 -4.758 -7.186 1.00 12.53 H new ATOM 0 HA SER A 36 4.173 -4.501 -9.232 1.00 3.22 H new ATOM 0 HB2 SER A 36 5.274 -2.331 -8.567 1.00 70.34 H new ATOM 0 HB3 SER A 36 6.827 -3.000 -9.026 1.00 70.34 H new ATOM 0 HG SER A 36 5.869 -1.755 -10.734 1.00 20.24 H new ATOM 539 N ASN A 37 5.302 -5.988 -10.857 1.00 11.50 N ATOM 540 CA ASN A 37 5.827 -6.979 -11.812 1.00 12.41 C ATOM 541 C ASN A 37 4.897 -6.997 -13.031 1.00 10.33 C ATOM 542 O ASN A 37 5.305 -6.673 -14.150 1.00 32.40 O ATOM 543 CB ASN A 37 5.929 -8.396 -11.158 1.00 51.14 C ATOM 544 CG ASN A 37 6.542 -9.487 -12.053 1.00 71.30 C ATOM 545 OD1 ASN A 37 6.163 -10.653 -11.965 1.00 71.25 O ATOM 546 ND2 ASN A 37 7.515 -9.131 -12.886 1.00 50.45 N ATOM 0 H ASN A 37 4.356 -5.680 -11.083 1.00 11.50 H new ATOM 0 HA ASN A 37 6.836 -6.704 -12.117 1.00 12.41 H new ATOM 0 HB2 ASN A 37 6.525 -8.317 -10.249 1.00 51.14 H new ATOM 0 HB3 ASN A 37 4.930 -8.713 -10.858 1.00 51.14 H new ATOM 0 HD21 ASN A 37 7.967 -9.833 -13.472 1.00 50.45 H new ATOM 0 HD22 ASN A 37 7.810 -8.156 -12.939 1.00 50.45 H new ATOM 553 N VAL A 38 3.631 -7.362 -12.764 1.00 12.20 N ATOM 554 CA VAL A 38 2.533 -7.360 -13.749 1.00 54.12 C ATOM 555 C VAL A 38 1.198 -7.615 -13.007 1.00 5.21 C ATOM 556 O VAL A 38 1.208 -8.167 -11.891 1.00 44.12 O ATOM 557 CB VAL A 38 2.761 -8.424 -14.900 1.00 42.51 C ATOM 558 CG1 VAL A 38 2.779 -9.879 -14.371 1.00 40.43 C ATOM 559 CG2 VAL A 38 1.751 -8.244 -16.059 1.00 22.01 C ATOM 0 H VAL A 38 3.335 -7.673 -11.839 1.00 12.20 H new ATOM 0 HA VAL A 38 2.503 -6.386 -14.238 1.00 54.12 H new ATOM 0 HB VAL A 38 3.755 -8.232 -15.305 1.00 42.51 H new ATOM 0 HG11 VAL A 38 2.938 -10.566 -15.202 1.00 40.43 H new ATOM 0 HG12 VAL A 38 3.585 -9.993 -13.646 1.00 40.43 H new ATOM 0 HG13 VAL A 38 1.826 -10.104 -13.892 1.00 40.43 H new ATOM 0 HG21 VAL A 38 1.942 -8.993 -16.827 1.00 22.01 H new ATOM 0 HG22 VAL A 38 0.736 -8.364 -15.679 1.00 22.01 H new ATOM 0 HG23 VAL A 38 1.863 -7.248 -16.488 1.00 22.01 H new ATOM 569 N TYR A 39 0.062 -7.210 -13.627 1.00 25.51 N ATOM 570 CA TYR A 39 -1.297 -7.406 -13.069 1.00 40.05 C ATOM 571 C TYR A 39 -1.574 -8.887 -12.761 1.00 13.44 C ATOM 572 O TYR A 39 -2.267 -9.196 -11.807 1.00 60.44 O ATOM 573 CB TYR A 39 -2.387 -6.858 -14.043 1.00 22.11 C ATOM 574 CG TYR A 39 -2.556 -7.635 -15.378 1.00 75.33 C ATOM 575 CD1 TYR A 39 -1.771 -7.341 -16.496 1.00 13.31 C ATOM 576 CD2 TYR A 39 -3.509 -8.660 -15.516 1.00 1.13 C ATOM 577 CE1 TYR A 39 -1.924 -8.032 -17.685 1.00 14.42 C ATOM 578 CE2 TYR A 39 -3.660 -9.349 -16.705 1.00 32.11 C ATOM 579 CZ TYR A 39 -2.866 -9.030 -17.785 1.00 43.42 C ATOM 580 OH TYR A 39 -3.016 -9.715 -18.973 1.00 63.33 O ATOM 0 H TYR A 39 0.064 -6.737 -14.531 1.00 25.51 H new ATOM 0 HA TYR A 39 -1.342 -6.846 -12.135 1.00 40.05 H new ATOM 0 HB2 TYR A 39 -3.345 -6.856 -13.522 1.00 22.11 H new ATOM 0 HB3 TYR A 39 -2.149 -5.820 -14.277 1.00 22.11 H new ATOM 0 HD1 TYR A 39 -1.030 -6.558 -16.431 1.00 13.31 H new ATOM 0 HD2 TYR A 39 -4.137 -8.914 -14.675 1.00 1.13 H new ATOM 0 HE1 TYR A 39 -1.304 -7.788 -18.535 1.00 14.42 H new ATOM 0 HE2 TYR A 39 -4.397 -10.134 -16.787 1.00 32.11 H new ATOM 0 HH TYR A 39 -3.722 -10.388 -18.876 1.00 63.33 H new ATOM 590 N THR A 40 -1.008 -9.780 -13.597 1.00 60.23 N ATOM 591 CA THR A 40 -1.241 -11.231 -13.534 1.00 2.33 C ATOM 592 C THR A 40 -0.696 -11.832 -12.220 1.00 43.33 C ATOM 593 O THR A 40 -1.392 -12.587 -11.538 1.00 30.50 O ATOM 594 CB THR A 40 -0.581 -11.941 -14.768 1.00 62.33 C ATOM 595 OG1 THR A 40 -0.882 -11.199 -15.965 1.00 74.45 O ATOM 596 CG2 THR A 40 -1.075 -13.389 -14.933 1.00 13.32 C ATOM 0 H THR A 40 -0.369 -9.507 -14.343 1.00 60.23 H new ATOM 0 HA THR A 40 -2.318 -11.398 -13.559 1.00 2.33 H new ATOM 0 HB THR A 40 0.495 -11.971 -14.596 1.00 62.33 H new ATOM 0 HG1 THR A 40 -1.753 -10.760 -15.868 1.00 74.45 H new ATOM 0 HG21 THR A 40 -0.592 -13.842 -15.799 1.00 13.32 H new ATOM 0 HG22 THR A 40 -0.828 -13.962 -14.039 1.00 13.32 H new ATOM 0 HG23 THR A 40 -2.155 -13.391 -15.078 1.00 13.32 H new ATOM 604 N THR A 41 0.548 -11.451 -11.878 1.00 41.53 N ATOM 605 CA THR A 41 1.229 -11.890 -10.640 1.00 34.14 C ATOM 606 C THR A 41 0.478 -11.372 -9.392 1.00 30.22 C ATOM 607 O THR A 41 0.286 -12.105 -8.408 1.00 70.04 O ATOM 608 CB THR A 41 2.716 -11.383 -10.627 1.00 43.53 C ATOM 609 OG1 THR A 41 3.368 -11.782 -11.843 1.00 13.15 O ATOM 610 CG2 THR A 41 3.529 -11.914 -9.428 1.00 75.15 C ATOM 0 H THR A 41 1.114 -10.827 -12.453 1.00 41.53 H new ATOM 0 HA THR A 41 1.229 -12.980 -10.616 1.00 34.14 H new ATOM 0 HB THR A 41 2.676 -10.297 -10.538 1.00 43.53 H new ATOM 0 HG1 THR A 41 4.273 -11.406 -11.868 1.00 13.15 H new ATOM 0 HG21 THR A 41 4.547 -11.527 -9.478 1.00 75.15 H new ATOM 0 HG22 THR A 41 3.062 -11.588 -8.499 1.00 75.15 H new ATOM 0 HG23 THR A 41 3.553 -13.003 -9.459 1.00 75.15 H new ATOM 618 N PHE A 42 0.028 -10.108 -9.476 1.00 42.32 N ATOM 619 CA PHE A 42 -0.710 -9.428 -8.397 1.00 74.31 C ATOM 620 C PHE A 42 -2.125 -10.025 -8.225 1.00 72.34 C ATOM 621 O PHE A 42 -2.609 -10.167 -7.102 1.00 3.10 O ATOM 622 CB PHE A 42 -0.768 -7.903 -8.700 1.00 62.42 C ATOM 623 CG PHE A 42 -1.554 -7.057 -7.693 1.00 14.45 C ATOM 624 CD1 PHE A 42 -1.363 -7.212 -6.318 1.00 5.50 C ATOM 625 CD2 PHE A 42 -2.482 -6.104 -8.124 1.00 41.02 C ATOM 626 CE1 PHE A 42 -2.076 -6.452 -5.413 1.00 3.50 C ATOM 627 CE2 PHE A 42 -3.192 -5.341 -7.216 1.00 4.31 C ATOM 628 CZ PHE A 42 -2.990 -5.516 -5.861 1.00 74.34 C ATOM 0 H PHE A 42 0.167 -9.525 -10.301 1.00 42.32 H new ATOM 0 HA PHE A 42 -0.187 -9.581 -7.453 1.00 74.31 H new ATOM 0 HB2 PHE A 42 0.252 -7.522 -8.750 1.00 62.42 H new ATOM 0 HB3 PHE A 42 -1.209 -7.763 -9.687 1.00 62.42 H new ATOM 0 HD1 PHE A 42 -0.648 -7.937 -5.958 1.00 5.50 H new ATOM 0 HD2 PHE A 42 -2.646 -5.962 -9.182 1.00 41.02 H new ATOM 0 HE1 PHE A 42 -1.920 -6.589 -4.353 1.00 3.50 H new ATOM 0 HE2 PHE A 42 -3.904 -4.608 -7.566 1.00 4.31 H new ATOM 0 HZ PHE A 42 -3.546 -4.922 -5.151 1.00 74.34 H new ATOM 638 N ARG A 43 -2.755 -10.402 -9.348 1.00 31.15 N ATOM 639 CA ARG A 43 -4.129 -10.936 -9.367 1.00 13.11 C ATOM 640 C ARG A 43 -4.159 -12.316 -8.703 1.00 1.42 C ATOM 641 O ARG A 43 -4.979 -12.557 -7.823 1.00 32.44 O ATOM 642 CB ARG A 43 -4.669 -11.016 -10.822 1.00 34.40 C ATOM 643 CG ARG A 43 -6.094 -11.606 -10.949 1.00 30.01 C ATOM 644 CD ARG A 43 -6.613 -11.597 -12.394 1.00 63.12 C ATOM 645 NE ARG A 43 -7.893 -12.328 -12.542 1.00 2.35 N ATOM 646 CZ ARG A 43 -9.026 -11.835 -13.073 1.00 33.42 C ATOM 647 NH1 ARG A 43 -9.087 -10.577 -13.520 1.00 41.13 N ATOM 648 NH2 ARG A 43 -10.089 -12.627 -13.177 1.00 12.01 N ATOM 0 H ARG A 43 -2.326 -10.346 -10.272 1.00 31.15 H new ATOM 0 HA ARG A 43 -4.775 -10.261 -8.806 1.00 13.11 H new ATOM 0 HB2 ARG A 43 -4.665 -10.015 -11.253 1.00 34.40 H new ATOM 0 HB3 ARG A 43 -3.985 -11.621 -11.417 1.00 34.40 H new ATOM 0 HG2 ARG A 43 -6.094 -12.629 -10.574 1.00 30.01 H new ATOM 0 HG3 ARG A 43 -6.776 -11.036 -10.319 1.00 30.01 H new ATOM 0 HD2 ARG A 43 -6.747 -10.566 -12.722 1.00 63.12 H new ATOM 0 HD3 ARG A 43 -5.865 -12.045 -13.048 1.00 63.12 H new ATOM 0 HE ARG A 43 -7.917 -13.293 -12.211 1.00 2.35 H new ATOM 0 HH11 ARG A 43 -8.266 -9.975 -13.461 1.00 41.13 H new ATOM 0 HH12 ARG A 43 -9.955 -10.219 -13.920 1.00 41.13 H new ATOM 0 HH21 ARG A 43 -10.038 -13.594 -12.856 1.00 12.01 H new ATOM 0 HH22 ARG A 43 -10.956 -12.268 -13.578 1.00 12.01 H new ATOM 662 N ASN A 44 -3.212 -13.189 -9.117 1.00 53.14 N ATOM 663 CA ASN A 44 -3.036 -14.551 -8.558 1.00 42.14 C ATOM 664 C ASN A 44 -2.819 -14.511 -7.033 1.00 55.33 C ATOM 665 O ASN A 44 -3.283 -15.398 -6.308 1.00 3.24 O ATOM 666 CB ASN A 44 -1.841 -15.268 -9.255 1.00 33.03 C ATOM 667 CG ASN A 44 -2.110 -15.620 -10.727 1.00 72.11 C ATOM 668 OD1 ASN A 44 -3.241 -15.931 -11.111 1.00 43.42 O ATOM 669 ND2 ASN A 44 -1.075 -15.577 -11.561 1.00 54.24 N ATOM 0 H ASN A 44 -2.543 -12.967 -9.854 1.00 53.14 H new ATOM 0 HA ASN A 44 -3.950 -15.112 -8.750 1.00 42.14 H new ATOM 0 HB2 ASN A 44 -0.961 -14.628 -9.198 1.00 33.03 H new ATOM 0 HB3 ASN A 44 -1.607 -16.181 -8.708 1.00 33.03 H new ATOM 0 HD21 ASN A 44 -1.205 -15.805 -12.547 1.00 54.24 H new ATOM 0 HD22 ASN A 44 -0.152 -15.316 -11.215 1.00 54.24 H new ATOM 676 N ALA A 45 -2.130 -13.458 -6.566 1.00 1.12 N ATOM 677 CA ALA A 45 -1.872 -13.228 -5.134 1.00 34.41 C ATOM 678 C ALA A 45 -3.185 -12.991 -4.356 1.00 62.34 C ATOM 679 O ALA A 45 -3.363 -13.488 -3.237 1.00 53.33 O ATOM 680 CB ALA A 45 -0.916 -12.039 -4.976 1.00 74.40 C ATOM 0 H ALA A 45 -1.734 -12.739 -7.172 1.00 1.12 H new ATOM 0 HA ALA A 45 -1.408 -14.120 -4.712 1.00 34.41 H new ATOM 0 HB1 ALA A 45 -0.723 -11.866 -3.917 1.00 74.40 H new ATOM 0 HB2 ALA A 45 0.023 -12.257 -5.485 1.00 74.40 H new ATOM 0 HB3 ALA A 45 -1.368 -11.148 -5.413 1.00 74.40 H new ATOM 686 N ILE A 46 -4.109 -12.251 -4.987 1.00 2.01 N ATOM 687 CA ILE A 46 -5.421 -11.920 -4.403 1.00 62.12 C ATOM 688 C ILE A 46 -6.413 -13.104 -4.583 1.00 62.13 C ATOM 689 O ILE A 46 -7.341 -13.279 -3.788 1.00 60.25 O ATOM 690 CB ILE A 46 -6.008 -10.611 -5.050 1.00 23.14 C ATOM 691 CG1 ILE A 46 -4.958 -9.457 -5.058 1.00 41.11 C ATOM 692 CG2 ILE A 46 -7.280 -10.161 -4.311 1.00 33.52 C ATOM 693 CD1 ILE A 46 -5.429 -8.194 -5.765 1.00 33.41 C ATOM 0 H ILE A 46 -3.968 -11.863 -5.920 1.00 2.01 H new ATOM 0 HA ILE A 46 -5.282 -11.742 -3.337 1.00 62.12 H new ATOM 0 HB ILE A 46 -6.264 -10.845 -6.084 1.00 23.14 H new ATOM 0 HG12 ILE A 46 -4.698 -9.209 -4.029 1.00 41.11 H new ATOM 0 HG13 ILE A 46 -4.047 -9.812 -5.540 1.00 41.11 H new ATOM 0 HG21 ILE A 46 -7.669 -9.255 -4.775 1.00 33.52 H new ATOM 0 HG22 ILE A 46 -8.031 -10.949 -4.367 1.00 33.52 H new ATOM 0 HG23 ILE A 46 -7.042 -9.961 -3.266 1.00 33.52 H new ATOM 0 HD11 ILE A 46 -4.642 -7.441 -5.727 1.00 33.41 H new ATOM 0 HD12 ILE A 46 -5.661 -8.424 -6.805 1.00 33.41 H new ATOM 0 HD13 ILE A 46 -6.322 -7.812 -5.270 1.00 33.41 H new ATOM 705 N LEU A 47 -6.195 -13.920 -5.633 1.00 4.42 N ATOM 706 CA LEU A 47 -6.990 -15.141 -5.881 1.00 51.21 C ATOM 707 C LEU A 47 -6.666 -16.208 -4.820 1.00 23.04 C ATOM 708 O LEU A 47 -7.539 -16.985 -4.422 1.00 73.53 O ATOM 709 CB LEU A 47 -6.737 -15.702 -7.313 1.00 42.41 C ATOM 710 CG LEU A 47 -7.164 -14.779 -8.502 1.00 73.23 C ATOM 711 CD1 LEU A 47 -6.823 -15.428 -9.865 1.00 73.34 C ATOM 712 CD2 LEU A 47 -8.658 -14.395 -8.405 1.00 40.01 C ATOM 0 H LEU A 47 -5.468 -13.754 -6.329 1.00 4.42 H new ATOM 0 HA LEU A 47 -8.045 -14.878 -5.810 1.00 51.21 H new ATOM 0 HB2 LEU A 47 -5.674 -15.919 -7.413 1.00 42.41 H new ATOM 0 HB3 LEU A 47 -7.266 -16.650 -7.408 1.00 42.41 H new ATOM 0 HG LEU A 47 -6.589 -13.855 -8.432 1.00 73.23 H new ATOM 0 HD11 LEU A 47 -7.131 -14.763 -10.672 1.00 73.34 H new ATOM 0 HD12 LEU A 47 -5.748 -15.600 -9.927 1.00 73.34 H new ATOM 0 HD13 LEU A 47 -7.349 -16.378 -9.957 1.00 73.34 H new ATOM 0 HD21 LEU A 47 -8.924 -13.754 -9.245 1.00 40.01 H new ATOM 0 HD22 LEU A 47 -9.268 -15.298 -8.430 1.00 40.01 H new ATOM 0 HD23 LEU A 47 -8.837 -13.862 -7.471 1.00 40.01 H new ATOM 724 N LYS A 48 -5.398 -16.206 -4.360 1.00 11.13 N ATOM 725 CA LYS A 48 -4.897 -17.146 -3.341 1.00 0.12 C ATOM 726 C LYS A 48 -5.589 -16.927 -1.979 1.00 64.14 C ATOM 727 O LYS A 48 -5.827 -17.889 -1.241 1.00 22.50 O ATOM 728 CB LYS A 48 -3.354 -17.008 -3.193 1.00 22.13 C ATOM 729 CG LYS A 48 -2.703 -18.059 -2.252 1.00 43.31 C ATOM 730 CD LYS A 48 -1.171 -17.906 -2.123 1.00 15.33 C ATOM 731 CE LYS A 48 -0.432 -18.030 -3.466 1.00 4.43 C ATOM 732 NZ LYS A 48 -0.716 -19.313 -4.170 1.00 14.13 N ATOM 0 H LYS A 48 -4.691 -15.548 -4.688 1.00 11.13 H new ATOM 0 HA LYS A 48 -5.134 -18.156 -3.674 1.00 0.12 H new ATOM 0 HB2 LYS A 48 -2.898 -17.090 -4.180 1.00 22.13 H new ATOM 0 HB3 LYS A 48 -3.125 -16.011 -2.817 1.00 22.13 H new ATOM 0 HG2 LYS A 48 -3.153 -17.977 -1.263 1.00 43.31 H new ATOM 0 HG3 LYS A 48 -2.930 -19.058 -2.624 1.00 43.31 H new ATOM 0 HD2 LYS A 48 -0.946 -16.936 -1.681 1.00 15.33 H new ATOM 0 HD3 LYS A 48 -0.794 -18.664 -1.437 1.00 15.33 H new ATOM 0 HE2 LYS A 48 -0.717 -17.198 -4.110 1.00 4.43 H new ATOM 0 HE3 LYS A 48 0.641 -17.946 -3.293 1.00 4.43 H new ATOM 0 HZ1 LYS A 48 -0.165 -19.355 -5.051 1.00 14.13 H new ATOM 0 HZ2 LYS A 48 -0.451 -20.111 -3.558 1.00 14.13 H new ATOM 0 HZ3 LYS A 48 -1.730 -19.370 -4.393 1.00 14.13 H new ATOM 785 N LYS A 52 -10.257 -11.851 -1.233 1.00 5.14 N ATOM 786 CA LYS A 52 -10.298 -11.247 -2.584 1.00 44.32 C ATOM 787 C LYS A 52 -10.157 -9.697 -2.521 1.00 23.20 C ATOM 788 O LYS A 52 -10.679 -8.973 -3.387 1.00 0.23 O ATOM 789 CB LYS A 52 -11.582 -11.692 -3.366 1.00 55.15 C ATOM 790 CG LYS A 52 -11.712 -13.222 -3.581 1.00 64.42 C ATOM 791 CD LYS A 52 -10.567 -13.812 -4.437 1.00 64.52 C ATOM 792 CE LYS A 52 -10.711 -15.325 -4.694 1.00 15.05 C ATOM 793 NZ LYS A 52 -10.618 -16.129 -3.446 1.00 2.41 N ATOM 0 HA LYS A 52 -9.438 -11.619 -3.141 1.00 44.32 H new ATOM 0 HB2 LYS A 52 -12.460 -11.339 -2.826 1.00 55.15 H new ATOM 0 HB3 LYS A 52 -11.587 -11.200 -4.339 1.00 55.15 H new ATOM 0 HG2 LYS A 52 -11.727 -13.720 -2.611 1.00 64.42 H new ATOM 0 HG3 LYS A 52 -12.666 -13.436 -4.063 1.00 64.42 H new ATOM 0 HD2 LYS A 52 -10.533 -13.290 -5.393 1.00 64.52 H new ATOM 0 HD3 LYS A 52 -9.616 -13.625 -3.937 1.00 64.52 H new ATOM 0 HE2 LYS A 52 -11.670 -15.518 -5.176 1.00 15.05 H new ATOM 0 HE3 LYS A 52 -9.935 -15.647 -5.388 1.00 15.05 H new ATOM 0 HZ1 LYS A 52 -10.704 -17.139 -3.677 1.00 2.41 H new ATOM 0 HZ2 LYS A 52 -9.700 -15.955 -2.989 1.00 2.41 H new ATOM 0 HZ3 LYS A 52 -11.385 -15.855 -2.799 1.00 2.41 H new ATOM 807 N VAL A 53 -9.371 -9.208 -1.531 1.00 52.35 N ATOM 808 CA VAL A 53 -9.077 -7.770 -1.362 1.00 53.11 C ATOM 809 C VAL A 53 -7.635 -7.566 -0.840 1.00 63.43 C ATOM 810 O VAL A 53 -7.249 -8.109 0.203 1.00 61.31 O ATOM 811 CB VAL A 53 -10.121 -7.048 -0.414 1.00 33.12 C ATOM 812 CG1 VAL A 53 -10.225 -7.723 0.975 1.00 30.20 C ATOM 813 CG2 VAL A 53 -9.814 -5.531 -0.291 1.00 4.34 C ATOM 0 H VAL A 53 -8.926 -9.801 -0.830 1.00 52.35 H new ATOM 0 HA VAL A 53 -9.166 -7.308 -2.345 1.00 53.11 H new ATOM 0 HB VAL A 53 -11.099 -7.154 -0.883 1.00 33.12 H new ATOM 0 HG11 VAL A 53 -10.954 -7.189 1.585 1.00 30.20 H new ATOM 0 HG12 VAL A 53 -10.542 -8.759 0.853 1.00 30.20 H new ATOM 0 HG13 VAL A 53 -9.252 -7.697 1.466 1.00 30.20 H new ATOM 0 HG21 VAL A 53 -10.548 -5.063 0.366 1.00 4.34 H new ATOM 0 HG22 VAL A 53 -8.816 -5.394 0.125 1.00 4.34 H new ATOM 0 HG23 VAL A 53 -9.863 -5.069 -1.277 1.00 4.34 H new ATOM 823 N ALA A 54 -6.857 -6.778 -1.582 1.00 54.13 N ATOM 824 CA ALA A 54 -5.507 -6.354 -1.199 1.00 71.12 C ATOM 825 C ALA A 54 -5.551 -4.887 -0.747 1.00 41.42 C ATOM 826 O ALA A 54 -6.578 -4.220 -0.870 1.00 72.33 O ATOM 827 CB ALA A 54 -4.548 -6.536 -2.385 1.00 70.40 C ATOM 0 H ALA A 54 -7.152 -6.408 -2.485 1.00 54.13 H new ATOM 0 HA ALA A 54 -5.144 -6.966 -0.373 1.00 71.12 H new ATOM 0 HB1 ALA A 54 -3.546 -6.219 -2.095 1.00 70.40 H new ATOM 0 HB2 ALA A 54 -4.526 -7.586 -2.678 1.00 70.40 H new ATOM 0 HB3 ALA A 54 -4.890 -5.932 -3.226 1.00 70.40 H new ATOM 833 N TYR A 55 -4.437 -4.409 -0.193 1.00 73.53 N ATOM 834 CA TYR A 55 -4.317 -3.073 0.405 1.00 61.33 C ATOM 835 C TYR A 55 -2.932 -2.489 0.076 1.00 64.14 C ATOM 836 O TYR A 55 -1.902 -3.100 0.380 1.00 65.10 O ATOM 837 CB TYR A 55 -4.518 -3.154 1.945 1.00 45.35 C ATOM 838 CG TYR A 55 -5.955 -3.489 2.412 1.00 11.12 C ATOM 839 CD1 TYR A 55 -6.402 -4.812 2.514 1.00 44.44 C ATOM 840 CD2 TYR A 55 -6.855 -2.478 2.775 1.00 52.54 C ATOM 841 CE1 TYR A 55 -7.678 -5.108 2.950 1.00 25.43 C ATOM 842 CE2 TYR A 55 -8.126 -2.778 3.219 1.00 43.21 C ATOM 843 CZ TYR A 55 -8.534 -4.089 3.303 1.00 1.52 C ATOM 844 OH TYR A 55 -9.808 -4.379 3.738 1.00 25.40 O ATOM 0 H TYR A 55 -3.573 -4.949 -0.145 1.00 73.53 H new ATOM 0 HA TYR A 55 -5.088 -2.422 -0.008 1.00 61.33 H new ATOM 0 HB2 TYR A 55 -3.840 -3.909 2.343 1.00 45.35 H new ATOM 0 HB3 TYR A 55 -4.225 -2.200 2.383 1.00 45.35 H new ATOM 0 HD1 TYR A 55 -5.735 -5.618 2.246 1.00 44.44 H new ATOM 0 HD2 TYR A 55 -6.548 -1.445 2.706 1.00 52.54 H new ATOM 0 HE1 TYR A 55 -8.004 -6.136 3.014 1.00 25.43 H new ATOM 0 HE2 TYR A 55 -8.801 -1.983 3.501 1.00 43.21 H new ATOM 0 HH TYR A 55 -10.280 -3.546 3.947 1.00 25.40 H new ATOM 854 N LEU A 56 -2.927 -1.310 -0.546 1.00 73.00 N ATOM 855 CA LEU A 56 -1.709 -0.607 -0.964 1.00 63.52 C ATOM 856 C LEU A 56 -1.202 0.305 0.170 1.00 52.02 C ATOM 857 O LEU A 56 -1.810 1.338 0.450 1.00 34.31 O ATOM 858 CB LEU A 56 -2.021 0.231 -2.240 1.00 12.33 C ATOM 859 CG LEU A 56 -0.866 1.139 -2.773 1.00 64.43 C ATOM 860 CD1 LEU A 56 0.319 0.305 -3.282 1.00 23.02 C ATOM 861 CD2 LEU A 56 -1.379 2.115 -3.847 1.00 54.14 C ATOM 0 H LEU A 56 -3.783 -0.806 -0.779 1.00 73.00 H new ATOM 0 HA LEU A 56 -0.927 -1.332 -1.189 1.00 63.52 H new ATOM 0 HB2 LEU A 56 -2.312 -0.454 -3.036 1.00 12.33 H new ATOM 0 HB3 LEU A 56 -2.884 0.863 -2.031 1.00 12.33 H new ATOM 0 HG LEU A 56 -0.500 1.735 -1.936 1.00 64.43 H new ATOM 0 HD11 LEU A 56 1.103 0.970 -3.645 1.00 23.02 H new ATOM 0 HD12 LEU A 56 0.710 -0.306 -2.469 1.00 23.02 H new ATOM 0 HD13 LEU A 56 -0.013 -0.341 -4.094 1.00 23.02 H new ATOM 0 HD21 LEU A 56 -0.554 2.734 -4.200 1.00 54.14 H new ATOM 0 HD22 LEU A 56 -1.793 1.551 -4.683 1.00 54.14 H new ATOM 0 HD23 LEU A 56 -2.154 2.752 -3.420 1.00 54.14 H new ATOM 873 N VAL A 57 -0.097 -0.093 0.816 1.00 14.41 N ATOM 874 CA VAL A 57 0.587 0.738 1.825 1.00 1.44 C ATOM 875 C VAL A 57 1.603 1.647 1.107 1.00 14.21 C ATOM 876 O VAL A 57 2.515 1.146 0.443 1.00 51.33 O ATOM 877 CB VAL A 57 1.351 -0.136 2.900 1.00 2.53 C ATOM 878 CG1 VAL A 57 2.037 0.751 3.972 1.00 65.11 C ATOM 879 CG2 VAL A 57 0.409 -1.179 3.546 1.00 23.31 C ATOM 0 H VAL A 57 0.349 -0.996 0.657 1.00 14.41 H new ATOM 0 HA VAL A 57 -0.169 1.323 2.349 1.00 1.44 H new ATOM 0 HB VAL A 57 2.138 -0.681 2.380 1.00 2.53 H new ATOM 0 HG11 VAL A 57 2.552 0.117 4.694 1.00 65.11 H new ATOM 0 HG12 VAL A 57 2.758 1.412 3.490 1.00 65.11 H new ATOM 0 HG13 VAL A 57 1.284 1.348 4.486 1.00 65.11 H new ATOM 0 HG21 VAL A 57 0.963 -1.764 4.280 1.00 23.31 H new ATOM 0 HG22 VAL A 57 -0.417 -0.667 4.039 1.00 23.31 H new ATOM 0 HG23 VAL A 57 0.017 -1.842 2.775 1.00 23.31 H new ATOM 889 N MET A 58 1.420 2.974 1.232 1.00 41.45 N ATOM 890 CA MET A 58 2.355 3.981 0.691 1.00 61.05 C ATOM 891 C MET A 58 2.552 5.125 1.693 1.00 62.23 C ATOM 892 O MET A 58 1.942 5.140 2.767 1.00 23.43 O ATOM 893 CB MET A 58 1.857 4.545 -0.670 1.00 21.14 C ATOM 894 CG MET A 58 0.533 5.300 -0.653 1.00 1.52 C ATOM 895 SD MET A 58 0.196 6.029 -2.270 1.00 63.13 S ATOM 896 CE MET A 58 -1.563 5.820 -2.405 1.00 54.35 C ATOM 0 H MET A 58 0.617 3.381 1.712 1.00 41.45 H new ATOM 0 HA MET A 58 3.312 3.486 0.523 1.00 61.05 H new ATOM 0 HB2 MET A 58 2.624 5.212 -1.064 1.00 21.14 H new ATOM 0 HB3 MET A 58 1.767 3.715 -1.370 1.00 21.14 H new ATOM 0 HG2 MET A 58 -0.275 4.622 -0.378 1.00 1.52 H new ATOM 0 HG3 MET A 58 0.564 6.082 0.105 1.00 1.52 H new ATOM 0 HE1 MET A 58 -1.975 6.604 -3.041 1.00 54.35 H new ATOM 0 HE2 MET A 58 -1.781 4.846 -2.843 1.00 54.35 H new ATOM 0 HE3 MET A 58 -2.014 5.882 -1.415 1.00 54.35 H new ATOM 906 N ASP A 59 3.429 6.066 1.326 1.00 34.34 N ATOM 907 CA ASP A 59 3.643 7.330 2.055 1.00 32.42 C ATOM 908 C ASP A 59 2.865 8.475 1.385 1.00 20.22 C ATOM 909 O ASP A 59 2.254 8.286 0.319 1.00 62.12 O ATOM 910 CB ASP A 59 5.154 7.649 2.115 1.00 54.44 C ATOM 911 CG ASP A 59 5.840 7.652 0.734 1.00 31.23 C ATOM 912 OD1 ASP A 59 5.883 8.716 0.082 1.00 23.04 O ATOM 913 OD2 ASP A 59 6.319 6.576 0.286 1.00 71.24 O ATOM 0 H ASP A 59 4.022 5.973 0.501 1.00 34.34 H new ATOM 0 HA ASP A 59 3.270 7.223 3.073 1.00 32.42 H new ATOM 0 HB2 ASP A 59 5.293 8.624 2.582 1.00 54.44 H new ATOM 0 HB3 ASP A 59 5.646 6.916 2.754 1.00 54.44 H new ATOM 918 N GLU A 60 2.915 9.671 2.006 1.00 62.32 N ATOM 919 CA GLU A 60 2.139 10.829 1.547 1.00 43.44 C ATOM 920 C GLU A 60 2.744 11.477 0.282 1.00 43.22 C ATOM 921 O GLU A 60 1.999 12.032 -0.526 1.00 62.23 O ATOM 922 CB GLU A 60 1.957 11.864 2.684 1.00 42.41 C ATOM 923 CG GLU A 60 0.978 13.008 2.332 1.00 12.04 C ATOM 924 CD GLU A 60 0.615 13.895 3.523 1.00 41.40 C ATOM 925 OE1 GLU A 60 -0.106 13.419 4.427 1.00 12.21 O ATOM 926 OE2 GLU A 60 1.041 15.073 3.557 1.00 23.41 O ATOM 0 H GLU A 60 3.488 9.855 2.829 1.00 62.32 H new ATOM 0 HA GLU A 60 1.152 10.461 1.266 1.00 43.44 H new ATOM 0 HB2 GLU A 60 1.597 11.351 3.576 1.00 42.41 H new ATOM 0 HB3 GLU A 60 2.928 12.292 2.932 1.00 42.41 H new ATOM 0 HG2 GLU A 60 1.421 13.626 1.552 1.00 12.04 H new ATOM 0 HG3 GLU A 60 0.065 12.579 1.918 1.00 12.04 H new ATOM 933 N ARG A 61 4.080 11.374 0.090 1.00 53.30 N ATOM 934 CA ARG A 61 4.750 11.915 -1.121 1.00 32.31 C ATOM 935 C ARG A 61 4.265 11.146 -2.367 1.00 34.31 C ATOM 936 O ARG A 61 3.972 11.735 -3.416 1.00 42.13 O ATOM 937 CB ARG A 61 6.299 11.832 -0.997 1.00 33.32 C ATOM 938 CG ARG A 61 7.066 12.353 -2.237 1.00 73.44 C ATOM 939 CD ARG A 61 8.592 12.285 -2.086 1.00 22.34 C ATOM 940 NE ARG A 61 9.287 12.816 -3.287 1.00 2.40 N ATOM 941 CZ ARG A 61 9.994 13.959 -3.343 1.00 51.22 C ATOM 942 NH1 ARG A 61 10.130 14.732 -2.270 1.00 30.11 N ATOM 943 NH2 ARG A 61 10.562 14.337 -4.478 1.00 21.33 N ATOM 0 H ARG A 61 4.713 10.925 0.752 1.00 53.30 H new ATOM 0 HA ARG A 61 4.486 12.968 -1.221 1.00 32.31 H new ATOM 0 HB2 ARG A 61 6.613 12.403 -0.123 1.00 33.32 H new ATOM 0 HB3 ARG A 61 6.582 10.795 -0.818 1.00 33.32 H new ATOM 0 HG2 ARG A 61 6.769 11.771 -3.109 1.00 73.44 H new ATOM 0 HG3 ARG A 61 6.773 13.385 -2.428 1.00 73.44 H new ATOM 0 HD2 ARG A 61 8.897 12.854 -1.208 1.00 22.34 H new ATOM 0 HD3 ARG A 61 8.895 11.252 -1.917 1.00 22.34 H new ATOM 0 HE ARG A 61 9.222 12.266 -4.144 1.00 2.40 H new ATOM 0 HH11 ARG A 61 9.695 14.461 -1.388 1.00 30.11 H new ATOM 0 HH12 ARG A 61 10.669 15.596 -2.329 1.00 30.11 H new ATOM 0 HH21 ARG A 61 10.464 13.761 -5.314 1.00 21.33 H new ATOM 0 HH22 ARG A 61 11.097 15.204 -4.516 1.00 21.33 H new ATOM 957 N THR A 62 4.149 9.825 -2.199 1.00 3.40 N ATOM 958 CA THR A 62 3.600 8.916 -3.211 1.00 14.25 C ATOM 959 C THR A 62 2.089 9.203 -3.454 1.00 2.43 C ATOM 960 O THR A 62 1.606 9.133 -4.593 1.00 21.23 O ATOM 961 CB THR A 62 3.843 7.438 -2.754 1.00 23.10 C ATOM 962 OG1 THR A 62 5.261 7.206 -2.639 1.00 52.41 O ATOM 963 CG2 THR A 62 3.249 6.395 -3.705 1.00 0.45 C ATOM 0 H THR A 62 4.438 9.350 -1.344 1.00 3.40 H new ATOM 0 HA THR A 62 4.108 9.077 -4.162 1.00 14.25 H new ATOM 0 HB THR A 62 3.336 7.321 -1.796 1.00 23.10 H new ATOM 0 HG1 THR A 62 5.419 6.283 -2.351 1.00 52.41 H new ATOM 0 HG21 THR A 62 3.457 5.395 -3.324 1.00 0.45 H new ATOM 0 HG22 THR A 62 2.171 6.540 -3.776 1.00 0.45 H new ATOM 0 HG23 THR A 62 3.696 6.507 -4.693 1.00 0.45 H new ATOM 971 N TRP A 63 1.376 9.578 -2.372 1.00 75.35 N ATOM 972 CA TRP A 63 -0.055 9.948 -2.424 1.00 43.41 C ATOM 973 C TRP A 63 -0.297 11.277 -3.181 1.00 2.34 C ATOM 974 O TRP A 63 -1.362 11.442 -3.782 1.00 31.15 O ATOM 975 CB TRP A 63 -0.636 10.019 -0.986 1.00 62.42 C ATOM 976 CG TRP A 63 -2.039 10.590 -0.874 1.00 41.20 C ATOM 977 CD1 TRP A 63 -2.383 11.834 -0.415 1.00 40.25 C ATOM 978 CD2 TRP A 63 -3.275 9.954 -1.249 1.00 42.45 C ATOM 979 NE1 TRP A 63 -3.744 11.992 -0.452 1.00 70.33 N ATOM 980 CE2 TRP A 63 -4.312 10.855 -0.962 1.00 54.42 C ATOM 981 CE3 TRP A 63 -3.603 8.708 -1.787 1.00 40.34 C ATOM 982 CZ2 TRP A 63 -5.648 10.550 -1.195 1.00 53.34 C ATOM 983 CZ3 TRP A 63 -4.931 8.407 -2.022 1.00 61.43 C ATOM 984 CH2 TRP A 63 -5.940 9.326 -1.723 1.00 70.01 C ATOM 0 H TRP A 63 1.776 9.633 -1.436 1.00 75.35 H new ATOM 0 HA TRP A 63 -0.574 9.171 -2.985 1.00 43.41 H new ATOM 0 HB2 TRP A 63 -0.637 9.014 -0.563 1.00 62.42 H new ATOM 0 HB3 TRP A 63 0.033 10.622 -0.372 1.00 62.42 H new ATOM 0 HD1 TRP A 63 -1.683 12.582 -0.073 1.00 40.25 H new ATOM 0 HE1 TRP A 63 -4.252 12.823 -0.149 1.00 70.33 H new ATOM 0 HE3 TRP A 63 -2.830 7.990 -2.016 1.00 40.34 H new ATOM 0 HZ2 TRP A 63 -6.430 11.259 -0.966 1.00 53.34 H new ATOM 0 HZ3 TRP A 63 -5.193 7.447 -2.443 1.00 61.43 H new ATOM 0 HH2 TRP A 63 -6.970 9.063 -1.913 1.00 70.01 H new ATOM 995 N LYS A 64 0.682 12.220 -3.154 1.00 71.30 N ATOM 996 CA LYS A 64 0.572 13.517 -3.881 1.00 11.31 C ATOM 997 C LYS A 64 0.296 13.292 -5.380 1.00 33.43 C ATOM 998 O LYS A 64 -0.377 14.096 -6.035 1.00 74.23 O ATOM 999 CB LYS A 64 1.862 14.363 -3.738 1.00 74.11 C ATOM 1000 CG LYS A 64 2.334 14.621 -2.298 1.00 53.11 C ATOM 1001 CD LYS A 64 1.277 15.310 -1.404 1.00 31.23 C ATOM 1002 CE LYS A 64 1.874 15.760 -0.059 1.00 72.03 C ATOM 1003 NZ LYS A 64 0.860 16.378 0.846 1.00 50.05 N ATOM 0 H LYS A 64 1.555 12.108 -2.638 1.00 71.30 H new ATOM 0 HA LYS A 64 -0.262 14.056 -3.431 1.00 11.31 H new ATOM 0 HB2 LYS A 64 2.665 13.862 -4.280 1.00 74.11 H new ATOM 0 HB3 LYS A 64 1.700 15.324 -4.225 1.00 74.11 H new ATOM 0 HG2 LYS A 64 2.616 13.671 -1.843 1.00 53.11 H new ATOM 0 HG3 LYS A 64 3.231 15.240 -2.326 1.00 53.11 H new ATOM 0 HD2 LYS A 64 0.866 16.174 -1.927 1.00 31.23 H new ATOM 0 HD3 LYS A 64 0.450 14.623 -1.223 1.00 31.23 H new ATOM 0 HE2 LYS A 64 2.324 14.901 0.439 1.00 72.03 H new ATOM 0 HE3 LYS A 64 2.674 16.477 -0.243 1.00 72.03 H new ATOM 0 HZ1 LYS A 64 1.045 17.398 0.930 1.00 50.05 H new ATOM 0 HZ2 LYS A 64 -0.092 16.230 0.453 1.00 50.05 H new ATOM 0 HZ3 LYS A 64 0.919 15.937 1.786 1.00 50.05 H new ATOM 1017 N LYS A 65 0.840 12.183 -5.899 1.00 61.55 N ATOM 1018 CA LYS A 65 0.641 11.764 -7.287 1.00 13.15 C ATOM 1019 C LYS A 65 -0.773 11.186 -7.481 1.00 40.20 C ATOM 1020 O LYS A 65 -1.529 11.675 -8.317 1.00 51.24 O ATOM 1021 CB LYS A 65 1.738 10.735 -7.695 1.00 23.42 C ATOM 1022 CG LYS A 65 3.182 11.293 -7.633 1.00 24.51 C ATOM 1023 CD LYS A 65 3.386 12.574 -8.482 1.00 43.01 C ATOM 1024 CE LYS A 65 3.144 12.349 -9.987 1.00 53.14 C ATOM 1025 NZ LYS A 65 3.106 13.635 -10.748 1.00 55.25 N ATOM 0 H LYS A 65 1.433 11.550 -5.362 1.00 61.55 H new ATOM 0 HA LYS A 65 0.732 12.634 -7.938 1.00 13.15 H new ATOM 0 HB2 LYS A 65 1.667 9.866 -7.041 1.00 23.42 H new ATOM 0 HB3 LYS A 65 1.537 10.388 -8.709 1.00 23.42 H new ATOM 0 HG2 LYS A 65 3.435 11.510 -6.595 1.00 24.51 H new ATOM 0 HG3 LYS A 65 3.875 10.525 -7.976 1.00 24.51 H new ATOM 0 HD2 LYS A 65 2.710 13.351 -8.124 1.00 43.01 H new ATOM 0 HD3 LYS A 65 4.401 12.942 -8.335 1.00 43.01 H new ATOM 0 HE2 LYS A 65 3.932 11.713 -10.390 1.00 53.14 H new ATOM 0 HE3 LYS A 65 2.203 11.817 -10.127 1.00 53.14 H new ATOM 0 HZ1 LYS A 65 2.941 13.437 -11.756 1.00 55.25 H new ATOM 0 HZ2 LYS A 65 2.337 14.232 -10.382 1.00 55.25 H new ATOM 0 HZ3 LYS A 65 4.013 14.131 -10.636 1.00 55.25 H new ATOM 1039 N VAL A 66 -1.123 10.197 -6.638 1.00 12.43 N ATOM 1040 CA VAL A 66 -2.369 9.400 -6.760 1.00 24.41 C ATOM 1041 C VAL A 66 -3.634 10.279 -6.654 1.00 22.33 C ATOM 1042 O VAL A 66 -4.488 10.243 -7.543 1.00 13.43 O ATOM 1043 CB VAL A 66 -2.405 8.263 -5.673 1.00 42.42 C ATOM 1044 CG1 VAL A 66 -3.668 7.370 -5.799 1.00 12.30 C ATOM 1045 CG2 VAL A 66 -1.112 7.421 -5.746 1.00 50.21 C ATOM 0 H VAL A 66 -0.546 9.922 -5.843 1.00 12.43 H new ATOM 0 HA VAL A 66 -2.366 8.948 -7.752 1.00 24.41 H new ATOM 0 HB VAL A 66 -2.460 8.739 -4.694 1.00 42.42 H new ATOM 0 HG11 VAL A 66 -3.648 6.600 -5.028 1.00 12.30 H new ATOM 0 HG12 VAL A 66 -4.561 7.983 -5.676 1.00 12.30 H new ATOM 0 HG13 VAL A 66 -3.684 6.899 -6.782 1.00 12.30 H new ATOM 0 HG21 VAL A 66 -1.146 6.636 -4.990 1.00 50.21 H new ATOM 0 HG22 VAL A 66 -1.027 6.969 -6.734 1.00 50.21 H new ATOM 0 HG23 VAL A 66 -0.249 8.062 -5.565 1.00 50.21 H new ATOM 1055 N TYR A 67 -3.706 11.085 -5.574 1.00 1.21 N ATOM 1056 CA TYR A 67 -4.836 12.011 -5.290 1.00 30.41 C ATOM 1057 C TYR A 67 -5.104 12.950 -6.485 1.00 53.54 C ATOM 1058 O TYR A 67 -6.263 13.182 -6.868 1.00 42.43 O ATOM 1059 CB TYR A 67 -4.506 12.853 -4.027 1.00 11.13 C ATOM 1060 CG TYR A 67 -5.606 13.836 -3.568 1.00 63.30 C ATOM 1061 CD1 TYR A 67 -6.691 13.393 -2.814 1.00 71.35 C ATOM 1062 CD2 TYR A 67 -5.553 15.208 -3.869 1.00 14.34 C ATOM 1063 CE1 TYR A 67 -7.673 14.258 -2.382 1.00 1.44 C ATOM 1064 CE2 TYR A 67 -6.543 16.075 -3.437 1.00 0.43 C ATOM 1065 CZ TYR A 67 -7.595 15.593 -2.693 1.00 71.42 C ATOM 1066 OH TYR A 67 -8.581 16.452 -2.266 1.00 23.15 O ATOM 0 H TYR A 67 -2.975 11.116 -4.863 1.00 1.21 H new ATOM 0 HA TYR A 67 -5.734 11.417 -5.119 1.00 30.41 H new ATOM 0 HB2 TYR A 67 -4.289 12.171 -3.205 1.00 11.13 H new ATOM 0 HB3 TYR A 67 -3.595 13.420 -4.219 1.00 11.13 H new ATOM 0 HD1 TYR A 67 -6.764 12.345 -2.562 1.00 71.35 H new ATOM 0 HD2 TYR A 67 -4.726 15.593 -4.447 1.00 14.34 H new ATOM 0 HE1 TYR A 67 -8.503 13.886 -1.799 1.00 1.44 H new ATOM 0 HE2 TYR A 67 -6.489 17.125 -3.683 1.00 0.43 H new ATOM 0 HH TYR A 67 -8.376 17.361 -2.568 1.00 23.15 H new ATOM 1076 N ASP A 68 -3.998 13.465 -7.056 1.00 52.00 N ATOM 1077 CA ASP A 68 -4.024 14.388 -8.202 1.00 40.23 C ATOM 1078 C ASP A 68 -4.568 13.683 -9.456 1.00 64.25 C ATOM 1079 O ASP A 68 -5.442 14.221 -10.128 1.00 24.01 O ATOM 1080 CB ASP A 68 -2.605 14.965 -8.476 1.00 31.03 C ATOM 1081 CG ASP A 68 -2.583 15.969 -9.647 1.00 72.35 C ATOM 1082 OD1 ASP A 68 -2.990 17.136 -9.443 1.00 21.53 O ATOM 1083 OD2 ASP A 68 -2.164 15.603 -10.775 1.00 63.21 O ATOM 0 H ASP A 68 -3.056 13.249 -6.731 1.00 52.00 H new ATOM 0 HA ASP A 68 -4.690 15.215 -7.956 1.00 40.23 H new ATOM 0 HB2 ASP A 68 -2.238 15.457 -7.575 1.00 31.03 H new ATOM 0 HB3 ASP A 68 -1.920 14.145 -8.694 1.00 31.03 H new ATOM 1088 N LEU A 69 -4.065 12.449 -9.718 1.00 4.54 N ATOM 1089 CA LEU A 69 -4.436 11.640 -10.910 1.00 22.01 C ATOM 1090 C LEU A 69 -5.930 11.300 -10.911 1.00 22.30 C ATOM 1091 O LEU A 69 -6.576 11.337 -11.954 1.00 3.51 O ATOM 1092 CB LEU A 69 -3.618 10.321 -10.970 1.00 73.42 C ATOM 1093 CG LEU A 69 -2.087 10.474 -11.187 1.00 62.14 C ATOM 1094 CD1 LEU A 69 -1.380 9.107 -11.096 1.00 32.43 C ATOM 1095 CD2 LEU A 69 -1.782 11.190 -12.522 1.00 21.20 C ATOM 0 H LEU A 69 -3.390 11.986 -9.109 1.00 4.54 H new ATOM 0 HA LEU A 69 -4.207 12.246 -11.786 1.00 22.01 H new ATOM 0 HB2 LEU A 69 -3.780 9.775 -10.041 1.00 73.42 H new ATOM 0 HB3 LEU A 69 -4.019 9.705 -11.775 1.00 73.42 H new ATOM 0 HG LEU A 69 -1.691 11.101 -10.388 1.00 62.14 H new ATOM 0 HD11 LEU A 69 -0.309 9.240 -11.251 1.00 32.43 H new ATOM 0 HD12 LEU A 69 -1.553 8.673 -10.111 1.00 32.43 H new ATOM 0 HD13 LEU A 69 -1.777 8.440 -11.861 1.00 32.43 H new ATOM 0 HD21 LEU A 69 -0.703 11.283 -12.647 1.00 21.20 H new ATOM 0 HD22 LEU A 69 -2.194 10.611 -13.348 1.00 21.20 H new ATOM 0 HD23 LEU A 69 -2.233 12.182 -12.514 1.00 21.20 H new ATOM 1107 N LEU A 70 -6.454 10.972 -9.721 1.00 75.05 N ATOM 1108 CA LEU A 70 -7.873 10.630 -9.527 1.00 4.05 C ATOM 1109 C LEU A 70 -8.779 11.771 -10.036 1.00 30.44 C ATOM 1110 O LEU A 70 -9.613 11.567 -10.929 1.00 14.23 O ATOM 1111 CB LEU A 70 -8.132 10.325 -8.024 1.00 10.22 C ATOM 1112 CG LEU A 70 -7.455 9.029 -7.471 1.00 22.11 C ATOM 1113 CD1 LEU A 70 -7.625 8.912 -5.938 1.00 11.00 C ATOM 1114 CD2 LEU A 70 -7.987 7.773 -8.203 1.00 31.43 C ATOM 0 H LEU A 70 -5.905 10.936 -8.862 1.00 75.05 H new ATOM 0 HA LEU A 70 -8.114 9.739 -10.107 1.00 4.05 H new ATOM 0 HB2 LEU A 70 -7.786 11.174 -7.435 1.00 10.22 H new ATOM 0 HB3 LEU A 70 -9.208 10.246 -7.868 1.00 10.22 H new ATOM 0 HG LEU A 70 -6.385 9.099 -7.669 1.00 22.11 H new ATOM 0 HD11 LEU A 70 -7.143 8.000 -5.587 1.00 11.00 H new ATOM 0 HD12 LEU A 70 -7.166 9.774 -5.454 1.00 11.00 H new ATOM 0 HD13 LEU A 70 -8.686 8.879 -5.691 1.00 11.00 H new ATOM 0 HD21 LEU A 70 -7.501 6.884 -7.801 1.00 31.43 H new ATOM 0 HD22 LEU A 70 -9.064 7.695 -8.056 1.00 31.43 H new ATOM 0 HD23 LEU A 70 -7.771 7.854 -9.268 1.00 31.43 H new ATOM 1126 N ILE A 71 -8.522 12.986 -9.521 1.00 15.54 N ATOM 1127 CA ILE A 71 -9.283 14.200 -9.880 1.00 13.42 C ATOM 1128 C ILE A 71 -9.042 14.584 -11.362 1.00 34.31 C ATOM 1129 O ILE A 71 -9.972 14.982 -12.073 1.00 54.23 O ATOM 1130 CB ILE A 71 -8.903 15.405 -8.935 1.00 12.43 C ATOM 1131 CG1 ILE A 71 -9.063 14.985 -7.436 1.00 42.43 C ATOM 1132 CG2 ILE A 71 -9.750 16.669 -9.257 1.00 45.22 C ATOM 1133 CD1 ILE A 71 -8.679 16.050 -6.428 1.00 50.12 C ATOM 0 H ILE A 71 -7.780 13.156 -8.843 1.00 15.54 H new ATOM 0 HA ILE A 71 -10.342 13.980 -9.747 1.00 13.42 H new ATOM 0 HB ILE A 71 -7.859 15.663 -9.114 1.00 12.43 H new ATOM 0 HG12 ILE A 71 -10.101 14.700 -7.263 1.00 42.43 H new ATOM 0 HG13 ILE A 71 -8.454 14.099 -7.256 1.00 42.43 H new ATOM 0 HG21 ILE A 71 -9.463 17.480 -8.588 1.00 45.22 H new ATOM 0 HG22 ILE A 71 -9.574 16.971 -10.289 1.00 45.22 H new ATOM 0 HG23 ILE A 71 -10.807 16.443 -9.120 1.00 45.22 H new ATOM 0 HD11 ILE A 71 -8.824 15.665 -5.419 1.00 50.12 H new ATOM 0 HD12 ILE A 71 -7.632 16.321 -6.566 1.00 50.12 H new ATOM 0 HD13 ILE A 71 -9.304 16.931 -6.574 1.00 50.12 H new ATOM 1145 N LEU A 72 -7.791 14.393 -11.809 1.00 52.10 N ATOM 1146 CA LEU A 72 -7.327 14.733 -13.169 1.00 44.03 C ATOM 1147 C LEU A 72 -8.061 13.868 -14.219 1.00 63.32 C ATOM 1148 O LEU A 72 -8.371 14.346 -15.314 1.00 3.00 O ATOM 1149 CB LEU A 72 -5.767 14.551 -13.229 1.00 72.33 C ATOM 1150 CG LEU A 72 -4.980 15.066 -14.492 1.00 72.11 C ATOM 1151 CD1 LEU A 72 -5.057 14.091 -15.692 1.00 4.13 C ATOM 1152 CD2 LEU A 72 -5.432 16.497 -14.890 1.00 52.34 C ATOM 0 H LEU A 72 -7.057 13.990 -11.226 1.00 52.10 H new ATOM 0 HA LEU A 72 -7.560 15.772 -13.403 1.00 44.03 H new ATOM 0 HB2 LEU A 72 -5.345 15.047 -12.355 1.00 72.33 H new ATOM 0 HB3 LEU A 72 -5.557 13.487 -13.123 1.00 72.33 H new ATOM 0 HG LEU A 72 -3.929 15.110 -14.205 1.00 72.11 H new ATOM 0 HD11 LEU A 72 -4.496 14.502 -16.531 1.00 4.13 H new ATOM 0 HD12 LEU A 72 -4.632 13.129 -15.407 1.00 4.13 H new ATOM 0 HD13 LEU A 72 -6.098 13.955 -15.984 1.00 4.13 H new ATOM 0 HD21 LEU A 72 -4.871 16.826 -15.765 1.00 52.34 H new ATOM 0 HD22 LEU A 72 -6.497 16.491 -15.123 1.00 52.34 H new ATOM 0 HD23 LEU A 72 -5.246 17.181 -14.062 1.00 52.34 H new ATOM 1164 N HIS A 73 -8.341 12.600 -13.867 1.00 74.30 N ATOM 1165 CA HIS A 73 -9.027 11.657 -14.770 1.00 34.40 C ATOM 1166 C HIS A 73 -10.556 11.861 -14.692 1.00 64.33 C ATOM 1167 O HIS A 73 -11.153 12.311 -15.677 1.00 44.35 O ATOM 1168 CB HIS A 73 -8.627 10.191 -14.431 1.00 23.44 C ATOM 1169 CG HIS A 73 -7.251 9.783 -14.901 1.00 30.21 C ATOM 1170 ND1 HIS A 73 -7.021 8.652 -15.657 1.00 31.03 N ATOM 1171 CD2 HIS A 73 -6.028 10.333 -14.692 1.00 64.14 C ATOM 1172 CE1 HIS A 73 -5.733 8.537 -15.897 1.00 30.20 C ATOM 1173 NE2 HIS A 73 -5.112 9.540 -15.322 1.00 33.23 N ATOM 0 H HIS A 73 -8.101 12.203 -12.959 1.00 74.30 H new ATOM 0 HA HIS A 73 -8.715 11.855 -15.795 1.00 34.40 H new ATOM 0 HB2 HIS A 73 -8.681 10.055 -13.351 1.00 23.44 H new ATOM 0 HB3 HIS A 73 -9.361 9.518 -14.874 1.00 23.44 H new ATOM 0 HD2 HIS A 73 -5.818 11.232 -14.131 1.00 64.14 H new ATOM 0 HE1 HIS A 73 -5.265 7.750 -16.470 1.00 30.20 H new ATOM 0 HE2 HIS A 73 -4.105 9.702 -15.342 1.00 33.23 H new ATOM 1182 N ASP A 74 -11.146 11.577 -13.503 1.00 2.45 N ATOM 1183 CA ASP A 74 -12.577 11.811 -13.182 1.00 63.14 C ATOM 1184 C ASP A 74 -12.904 11.126 -11.842 1.00 13.24 C ATOM 1185 O ASP A 74 -13.414 9.995 -11.807 1.00 74.11 O ATOM 1186 CB ASP A 74 -13.560 11.301 -14.292 1.00 12.35 C ATOM 1187 CG ASP A 74 -15.031 11.696 -14.046 1.00 21.45 C ATOM 1188 OD1 ASP A 74 -15.386 12.867 -14.295 1.00 12.34 O ATOM 1189 OD2 ASP A 74 -15.841 10.848 -13.610 1.00 63.21 O ATOM 0 H ASP A 74 -10.629 11.170 -12.724 1.00 2.45 H new ATOM 0 HA ASP A 74 -12.722 12.890 -13.119 1.00 63.14 H new ATOM 0 HB2 ASP A 74 -13.243 11.698 -15.256 1.00 12.35 H new ATOM 0 HB3 ASP A 74 -13.490 10.215 -14.356 1.00 12.35 H new ATOM 1194 N PHE A 75 -12.537 11.799 -10.744 1.00 0.01 N ATOM 1195 CA PHE A 75 -12.798 11.331 -9.375 1.00 61.23 C ATOM 1196 C PHE A 75 -12.578 12.514 -8.422 1.00 11.33 C ATOM 1197 O PHE A 75 -11.482 12.698 -7.872 1.00 14.30 O ATOM 1198 CB PHE A 75 -11.876 10.126 -9.034 1.00 42.22 C ATOM 1199 CG PHE A 75 -12.240 9.332 -7.778 1.00 62.04 C ATOM 1200 CD1 PHE A 75 -13.455 8.677 -7.688 1.00 63.30 C ATOM 1201 CD2 PHE A 75 -11.352 9.182 -6.727 1.00 45.34 C ATOM 1202 CE1 PHE A 75 -13.775 7.909 -6.584 1.00 70.50 C ATOM 1203 CE2 PHE A 75 -11.664 8.413 -5.633 1.00 12.23 C ATOM 1204 CZ PHE A 75 -12.874 7.773 -5.559 1.00 4.40 C ATOM 0 H PHE A 75 -12.046 12.692 -10.780 1.00 0.01 H new ATOM 0 HA PHE A 75 -13.824 10.978 -9.273 1.00 61.23 H new ATOM 0 HB2 PHE A 75 -11.877 9.443 -9.883 1.00 42.22 H new ATOM 0 HB3 PHE A 75 -10.857 10.495 -8.923 1.00 42.22 H new ATOM 0 HD1 PHE A 75 -14.167 8.767 -8.495 1.00 63.30 H new ATOM 0 HD2 PHE A 75 -10.394 9.680 -6.768 1.00 45.34 H new ATOM 0 HE1 PHE A 75 -14.734 7.416 -6.529 1.00 70.50 H new ATOM 0 HE2 PHE A 75 -10.953 8.312 -4.827 1.00 12.23 H new ATOM 0 HZ PHE A 75 -13.116 7.166 -4.699 1.00 4.40 H new ATOM 1214 N THR A 76 -13.625 13.345 -8.307 1.00 14.41 N ATOM 1215 CA THR A 76 -13.626 14.617 -7.548 1.00 14.45 C ATOM 1216 C THR A 76 -13.224 14.386 -6.055 1.00 62.13 C ATOM 1217 O THR A 76 -13.428 13.273 -5.530 1.00 72.50 O ATOM 1218 CB THR A 76 -15.056 15.291 -7.668 1.00 74.23 C ATOM 1219 OG1 THR A 76 -15.054 16.661 -7.225 1.00 72.31 O ATOM 1220 CG2 THR A 76 -16.112 14.532 -6.872 1.00 42.55 C ATOM 0 H THR A 76 -14.523 13.150 -8.750 1.00 14.41 H new ATOM 0 HA THR A 76 -12.881 15.290 -7.973 1.00 14.45 H new ATOM 0 HB THR A 76 -15.303 15.258 -8.729 1.00 74.23 H new ATOM 0 HG1 THR A 76 -15.927 16.881 -6.839 1.00 72.31 H new ATOM 0 HG21 THR A 76 -17.076 15.028 -6.982 1.00 42.55 H new ATOM 0 HG22 THR A 76 -16.184 13.510 -7.245 1.00 42.55 H new ATOM 0 HG23 THR A 76 -15.831 14.514 -5.819 1.00 42.55 H new ATOM 1228 N PRO A 77 -12.637 15.416 -5.348 1.00 14.33 N ATOM 1229 CA PRO A 77 -12.213 15.292 -3.922 1.00 34.33 C ATOM 1230 C PRO A 77 -13.351 14.844 -2.988 1.00 71.33 C ATOM 1231 O PRO A 77 -13.091 14.228 -1.963 1.00 30.40 O ATOM 1232 CB PRO A 77 -11.714 16.718 -3.564 1.00 24.41 C ATOM 1233 CG PRO A 77 -12.315 17.608 -4.609 1.00 3.14 C ATOM 1234 CD PRO A 77 -12.311 16.774 -5.864 1.00 72.32 C ATOM 0 HA PRO A 77 -11.452 14.522 -3.794 1.00 34.33 H new ATOM 0 HB2 PRO A 77 -12.035 17.010 -2.564 1.00 24.41 H new ATOM 0 HB3 PRO A 77 -10.625 16.771 -3.578 1.00 24.41 H new ATOM 0 HG2 PRO A 77 -13.326 17.912 -4.338 1.00 3.14 H new ATOM 0 HG3 PRO A 77 -11.732 18.520 -4.737 1.00 3.14 H new ATOM 0 HD2 PRO A 77 -13.050 17.122 -6.585 1.00 72.32 H new ATOM 0 HD3 PRO A 77 -11.343 16.797 -6.364 1.00 72.32 H new ATOM 1242 N GLU A 78 -14.602 15.156 -3.394 1.00 34.23 N ATOM 1243 CA GLU A 78 -15.836 14.785 -2.673 1.00 43.13 C ATOM 1244 C GLU A 78 -15.953 13.257 -2.538 1.00 3.15 C ATOM 1245 O GLU A 78 -16.259 12.746 -1.464 1.00 30.42 O ATOM 1246 CB GLU A 78 -17.068 15.352 -3.418 1.00 53.01 C ATOM 1247 CG GLU A 78 -17.030 16.871 -3.644 1.00 52.24 C ATOM 1248 CD GLU A 78 -18.176 17.348 -4.551 1.00 71.40 C ATOM 1249 OE1 GLU A 78 -19.293 17.566 -4.045 1.00 13.03 O ATOM 1250 OE2 GLU A 78 -17.976 17.467 -5.784 1.00 43.53 O ATOM 0 H GLU A 78 -14.784 15.683 -4.248 1.00 34.23 H new ATOM 0 HA GLU A 78 -15.795 15.212 -1.671 1.00 43.13 H new ATOM 0 HB2 GLU A 78 -17.153 14.855 -4.384 1.00 53.01 H new ATOM 0 HB3 GLU A 78 -17.966 15.104 -2.852 1.00 53.01 H new ATOM 0 HG2 GLU A 78 -17.092 17.382 -2.683 1.00 52.24 H new ATOM 0 HG3 GLU A 78 -16.075 17.147 -4.091 1.00 52.24 H new ATOM 1257 N GLU A 79 -15.671 12.543 -3.639 1.00 3.34 N ATOM 1258 CA GLU A 79 -15.681 11.070 -3.660 1.00 10.22 C ATOM 1259 C GLU A 79 -14.572 10.512 -2.749 1.00 44.31 C ATOM 1260 O GLU A 79 -14.840 9.693 -1.861 1.00 62.43 O ATOM 1261 CB GLU A 79 -15.491 10.542 -5.103 1.00 0.21 C ATOM 1262 CG GLU A 79 -16.556 10.994 -6.113 1.00 33.21 C ATOM 1263 CD GLU A 79 -17.984 10.549 -5.751 1.00 10.14 C ATOM 1264 OE1 GLU A 79 -18.279 9.335 -5.870 1.00 30.32 O ATOM 1265 OE2 GLU A 79 -18.808 11.400 -5.347 1.00 55.24 O ATOM 0 H GLU A 79 -15.431 12.966 -4.535 1.00 3.34 H new ATOM 0 HA GLU A 79 -16.649 10.732 -3.289 1.00 10.22 H new ATOM 0 HB2 GLU A 79 -14.513 10.862 -5.463 1.00 0.21 H new ATOM 0 HB3 GLU A 79 -15.480 9.452 -5.075 1.00 0.21 H new ATOM 0 HG2 GLU A 79 -16.533 12.081 -6.189 1.00 33.21 H new ATOM 0 HG3 GLU A 79 -16.301 10.600 -7.097 1.00 33.21 H new ATOM 1272 N ILE A 80 -13.343 11.030 -2.965 1.00 34.42 N ATOM 1273 CA ILE A 80 -12.121 10.601 -2.255 1.00 22.21 C ATOM 1274 C ILE A 80 -12.315 10.687 -0.722 1.00 60.13 C ATOM 1275 O ILE A 80 -12.080 9.713 0.006 1.00 30.41 O ATOM 1276 CB ILE A 80 -10.882 11.480 -2.695 1.00 12.31 C ATOM 1277 CG1 ILE A 80 -10.756 11.536 -4.254 1.00 43.32 C ATOM 1278 CG2 ILE A 80 -9.576 10.953 -2.051 1.00 2.43 C ATOM 1279 CD1 ILE A 80 -9.633 12.407 -4.793 1.00 13.14 C ATOM 0 H ILE A 80 -13.171 11.768 -3.647 1.00 34.42 H new ATOM 0 HA ILE A 80 -11.926 9.562 -2.522 1.00 22.21 H new ATOM 0 HB ILE A 80 -11.048 12.496 -2.338 1.00 12.31 H new ATOM 0 HG12 ILE A 80 -10.614 10.521 -4.625 1.00 43.32 H new ATOM 0 HG13 ILE A 80 -11.699 11.897 -4.664 1.00 43.32 H new ATOM 0 HG21 ILE A 80 -8.738 11.573 -2.368 1.00 2.43 H new ATOM 0 HG22 ILE A 80 -9.665 10.991 -0.965 1.00 2.43 H new ATOM 0 HG23 ILE A 80 -9.405 9.923 -2.366 1.00 2.43 H new ATOM 0 HD11 ILE A 80 -9.637 12.373 -5.882 1.00 13.14 H new ATOM 0 HD12 ILE A 80 -9.779 13.435 -4.461 1.00 13.14 H new ATOM 0 HD13 ILE A 80 -8.677 12.038 -4.422 1.00 13.14 H new ATOM 1291 N LYS A 81 -12.822 11.848 -0.271 1.00 44.23 N ATOM 1292 CA LYS A 81 -12.994 12.150 1.162 1.00 11.44 C ATOM 1293 C LYS A 81 -14.153 11.347 1.776 1.00 1.41 C ATOM 1294 O LYS A 81 -14.106 11.026 2.956 1.00 52.42 O ATOM 1295 CB LYS A 81 -13.193 13.674 1.388 1.00 42.31 C ATOM 1296 CG LYS A 81 -14.526 14.246 0.857 1.00 34.10 C ATOM 1297 CD LYS A 81 -14.509 15.781 0.687 1.00 35.43 C ATOM 1298 CE LYS A 81 -14.402 16.544 2.012 1.00 21.23 C ATOM 1299 NZ LYS A 81 -14.266 18.011 1.787 1.00 12.21 N ATOM 0 H LYS A 81 -13.124 12.602 -0.888 1.00 44.23 H new ATOM 0 HA LYS A 81 -12.080 11.846 1.672 1.00 11.44 H new ATOM 0 HB2 LYS A 81 -13.128 13.879 2.457 1.00 42.31 H new ATOM 0 HB3 LYS A 81 -12.371 14.207 0.910 1.00 42.31 H new ATOM 0 HG2 LYS A 81 -14.754 13.784 -0.103 1.00 34.10 H new ATOM 0 HG3 LYS A 81 -15.329 13.972 1.542 1.00 34.10 H new ATOM 0 HD2 LYS A 81 -13.670 16.058 0.049 1.00 35.43 H new ATOM 0 HD3 LYS A 81 -15.418 16.091 0.171 1.00 35.43 H new ATOM 0 HE2 LYS A 81 -15.286 16.348 2.618 1.00 21.23 H new ATOM 0 HE3 LYS A 81 -13.542 16.180 2.575 1.00 21.23 H new ATOM 0 HZ1 LYS A 81 -14.196 18.498 2.703 1.00 12.21 H new ATOM 0 HZ2 LYS A 81 -13.409 18.199 1.229 1.00 12.21 H new ATOM 0 HZ3 LYS A 81 -15.098 18.362 1.271 1.00 12.21 H new ATOM 1313 N SER A 82 -15.179 11.007 0.964 1.00 4.31 N ATOM 1314 CA SER A 82 -16.317 10.171 1.424 1.00 55.43 C ATOM 1315 C SER A 82 -15.881 8.711 1.625 1.00 75.02 C ATOM 1316 O SER A 82 -16.499 7.972 2.399 1.00 64.22 O ATOM 1317 CB SER A 82 -17.491 10.233 0.426 1.00 22.21 C ATOM 1318 OG SER A 82 -18.002 11.552 0.329 1.00 45.12 O ATOM 0 H SER A 82 -15.245 11.297 -0.012 1.00 4.31 H new ATOM 0 HA SER A 82 -16.651 10.573 2.381 1.00 55.43 H new ATOM 0 HB2 SER A 82 -17.158 9.894 -0.555 1.00 22.21 H new ATOM 0 HB3 SER A 82 -18.282 9.555 0.746 1.00 22.21 H new ATOM 0 HG SER A 82 -17.449 12.072 -0.290 1.00 45.12 H new ATOM 1324 N PHE A 83 -14.825 8.305 0.900 1.00 74.32 N ATOM 1325 CA PHE A 83 -14.209 6.974 1.053 1.00 31.13 C ATOM 1326 C PHE A 83 -13.069 7.012 2.092 1.00 1.53 C ATOM 1327 O PHE A 83 -12.501 5.977 2.413 1.00 54.23 O ATOM 1328 CB PHE A 83 -13.708 6.449 -0.314 1.00 23.44 C ATOM 1329 CG PHE A 83 -14.805 6.199 -1.352 1.00 43.30 C ATOM 1330 CD1 PHE A 83 -15.951 5.472 -1.022 1.00 45.54 C ATOM 1331 CD2 PHE A 83 -14.691 6.685 -2.656 1.00 52.34 C ATOM 1332 CE1 PHE A 83 -16.939 5.246 -1.961 1.00 40.11 C ATOM 1333 CE2 PHE A 83 -15.682 6.456 -3.592 1.00 1.12 C ATOM 1334 CZ PHE A 83 -16.803 5.738 -3.244 1.00 33.55 C ATOM 0 H PHE A 83 -14.375 8.887 0.194 1.00 74.32 H new ATOM 0 HA PHE A 83 -14.967 6.283 1.422 1.00 31.13 H new ATOM 0 HB2 PHE A 83 -12.998 7.167 -0.724 1.00 23.44 H new ATOM 0 HB3 PHE A 83 -13.163 5.519 -0.152 1.00 23.44 H new ATOM 0 HD1 PHE A 83 -16.066 5.082 -0.021 1.00 45.54 H new ATOM 0 HD2 PHE A 83 -13.814 7.249 -2.938 1.00 52.34 H new ATOM 0 HE1 PHE A 83 -17.820 4.683 -1.691 1.00 40.11 H new ATOM 0 HE2 PHE A 83 -15.576 6.840 -4.596 1.00 1.12 H new ATOM 0 HZ PHE A 83 -17.577 5.559 -3.975 1.00 33.55 H new ATOM 1344 N PHE A 84 -12.708 8.219 2.562 1.00 31.31 N ATOM 1345 CA PHE A 84 -11.904 8.408 3.798 1.00 35.11 C ATOM 1346 C PHE A 84 -12.815 8.276 5.034 1.00 44.50 C ATOM 1347 O PHE A 84 -12.404 7.762 6.083 1.00 21.23 O ATOM 1348 CB PHE A 84 -11.193 9.796 3.815 1.00 52.22 C ATOM 1349 CG PHE A 84 -9.825 9.824 3.134 1.00 43.12 C ATOM 1350 CD1 PHE A 84 -8.730 9.201 3.736 1.00 3.11 C ATOM 1351 CD2 PHE A 84 -9.620 10.477 1.919 1.00 4.13 C ATOM 1352 CE1 PHE A 84 -7.483 9.226 3.146 1.00 4.22 C ATOM 1353 CE2 PHE A 84 -8.365 10.505 1.333 1.00 30.45 C ATOM 1354 CZ PHE A 84 -7.300 9.878 1.948 1.00 64.44 C ATOM 0 H PHE A 84 -12.961 9.094 2.102 1.00 31.31 H new ATOM 0 HA PHE A 84 -11.134 7.637 3.819 1.00 35.11 H new ATOM 0 HB2 PHE A 84 -11.840 10.526 3.329 1.00 52.22 H new ATOM 0 HB3 PHE A 84 -11.074 10.115 4.850 1.00 52.22 H new ATOM 0 HD1 PHE A 84 -8.861 8.691 4.679 1.00 3.11 H new ATOM 0 HD2 PHE A 84 -10.449 10.966 1.429 1.00 4.13 H new ATOM 0 HE1 PHE A 84 -6.650 8.733 3.625 1.00 4.22 H new ATOM 0 HE2 PHE A 84 -8.220 11.018 0.394 1.00 30.45 H new ATOM 0 HZ PHE A 84 -6.323 9.899 1.489 1.00 64.44 H new ATOM 1364 N GLU A 85 -14.047 8.786 4.884 1.00 70.43 N ATOM 1365 CA GLU A 85 -15.107 8.709 5.905 1.00 62.12 C ATOM 1366 C GLU A 85 -15.749 7.312 5.901 1.00 63.11 C ATOM 1367 O GLU A 85 -15.527 6.510 4.983 1.00 50.13 O ATOM 1368 CB GLU A 85 -16.167 9.819 5.631 1.00 73.22 C ATOM 1369 CG GLU A 85 -15.606 11.252 5.752 1.00 24.03 C ATOM 1370 CD GLU A 85 -16.532 12.340 5.181 1.00 52.12 C ATOM 1371 OE1 GLU A 85 -17.482 12.755 5.876 1.00 52.24 O ATOM 1372 OE2 GLU A 85 -16.293 12.809 4.046 1.00 22.22 O ATOM 0 H GLU A 85 -14.341 9.272 4.037 1.00 70.43 H new ATOM 0 HA GLU A 85 -14.678 8.873 6.893 1.00 62.12 H new ATOM 0 HB2 GLU A 85 -16.575 9.681 4.630 1.00 73.22 H new ATOM 0 HB3 GLU A 85 -16.994 9.701 6.331 1.00 73.22 H new ATOM 0 HG2 GLU A 85 -15.415 11.468 6.803 1.00 24.03 H new ATOM 0 HG3 GLU A 85 -14.647 11.300 5.237 1.00 24.03 H new ATOM 1444 N ARG A 90 -16.696 0.195 6.072 1.00 3.33 N ATOM 1445 CA ARG A 90 -15.257 0.496 6.242 1.00 10.33 C ATOM 1446 C ARG A 90 -14.748 1.435 5.110 1.00 31.32 C ATOM 1447 O ARG A 90 -15.168 1.267 3.953 1.00 71.23 O ATOM 1448 CB ARG A 90 -14.474 -0.847 6.259 1.00 14.42 C ATOM 1449 CG ARG A 90 -12.944 -0.730 6.417 1.00 31.00 C ATOM 1450 CD ARG A 90 -12.265 -2.094 6.622 1.00 32.10 C ATOM 1451 NE ARG A 90 -12.801 -2.822 7.785 1.00 33.24 N ATOM 1452 CZ ARG A 90 -12.628 -2.484 9.079 1.00 35.34 C ATOM 1453 NH1 ARG A 90 -11.937 -1.403 9.441 1.00 22.03 N ATOM 1454 NH2 ARG A 90 -13.158 -3.244 10.016 1.00 0.31 N ATOM 0 HA ARG A 90 -15.097 1.021 7.183 1.00 10.33 H new ATOM 0 HB2 ARG A 90 -14.859 -1.460 7.074 1.00 14.42 H new ATOM 0 HB3 ARG A 90 -14.685 -1.381 5.332 1.00 14.42 H new ATOM 0 HG2 ARG A 90 -12.527 -0.250 5.532 1.00 31.00 H new ATOM 0 HG3 ARG A 90 -12.718 -0.085 7.266 1.00 31.00 H new ATOM 0 HD2 ARG A 90 -12.397 -2.700 5.726 1.00 32.10 H new ATOM 0 HD3 ARG A 90 -11.193 -1.947 6.752 1.00 32.10 H new ATOM 0 HE ARG A 90 -13.353 -3.658 7.594 1.00 33.24 H new ATOM 0 HH11 ARG A 90 -11.520 -0.803 8.730 1.00 22.03 H new ATOM 0 HH12 ARG A 90 -11.825 -1.176 10.429 1.00 22.03 H new ATOM 0 HH21 ARG A 90 -13.690 -4.075 9.758 1.00 0.31 H new ATOM 0 HH22 ARG A 90 -13.036 -3.001 10.999 1.00 0.31 H new ATOM 1468 N PRO A 91 -13.860 2.449 5.423 1.00 4.33 N ATOM 1469 CA PRO A 91 -13.345 3.398 4.400 1.00 3.32 C ATOM 1470 C PRO A 91 -12.388 2.718 3.385 1.00 11.22 C ATOM 1471 O PRO A 91 -11.600 1.831 3.754 1.00 52.11 O ATOM 1472 CB PRO A 91 -12.625 4.480 5.253 1.00 43.14 C ATOM 1473 CG PRO A 91 -12.209 3.778 6.508 1.00 71.54 C ATOM 1474 CD PRO A 91 -13.303 2.765 6.782 1.00 60.20 C ATOM 0 HA PRO A 91 -14.136 3.808 3.772 1.00 3.32 H new ATOM 0 HB2 PRO A 91 -11.763 4.888 4.726 1.00 43.14 H new ATOM 0 HB3 PRO A 91 -13.290 5.316 5.471 1.00 43.14 H new ATOM 0 HG2 PRO A 91 -11.243 3.289 6.383 1.00 71.54 H new ATOM 0 HG3 PRO A 91 -12.107 4.480 7.336 1.00 71.54 H new ATOM 0 HD2 PRO A 91 -12.907 1.873 7.268 1.00 60.20 H new ATOM 0 HD3 PRO A 91 -14.069 3.174 7.441 1.00 60.20 H new ATOM 1482 N VAL A 92 -12.483 3.137 2.105 1.00 21.41 N ATOM 1483 CA VAL A 92 -11.621 2.635 1.019 1.00 41.42 C ATOM 1484 C VAL A 92 -10.229 3.292 1.133 1.00 54.05 C ATOM 1485 O VAL A 92 -9.204 2.610 1.218 1.00 20.12 O ATOM 1486 CB VAL A 92 -12.252 2.925 -0.397 1.00 22.53 C ATOM 1487 CG1 VAL A 92 -11.381 2.355 -1.541 1.00 51.41 C ATOM 1488 CG2 VAL A 92 -13.711 2.401 -0.471 1.00 55.45 C ATOM 0 H VAL A 92 -13.161 3.834 1.797 1.00 21.41 H new ATOM 0 HA VAL A 92 -11.527 1.554 1.119 1.00 41.42 H new ATOM 0 HB VAL A 92 -12.280 4.006 -0.531 1.00 22.53 H new ATOM 0 HG11 VAL A 92 -11.850 2.576 -2.500 1.00 51.41 H new ATOM 0 HG12 VAL A 92 -10.392 2.812 -1.507 1.00 51.41 H new ATOM 0 HG13 VAL A 92 -11.287 1.276 -1.423 1.00 51.41 H new ATOM 0 HG21 VAL A 92 -14.124 2.613 -1.457 1.00 55.45 H new ATOM 0 HG22 VAL A 92 -13.720 1.325 -0.297 1.00 55.45 H new ATOM 0 HG23 VAL A 92 -14.315 2.897 0.289 1.00 55.45 H new ATOM 1498 N PHE A 93 -10.219 4.629 1.138 1.00 72.24 N ATOM 1499 CA PHE A 93 -9.007 5.424 1.369 1.00 60.50 C ATOM 1500 C PHE A 93 -8.817 5.588 2.877 1.00 1.10 C ATOM 1501 O PHE A 93 -9.668 6.154 3.563 1.00 73.32 O ATOM 1502 CB PHE A 93 -9.111 6.805 0.669 1.00 10.31 C ATOM 1503 CG PHE A 93 -9.237 6.702 -0.848 1.00 1.32 C ATOM 1504 CD1 PHE A 93 -8.132 6.389 -1.634 1.00 43.41 C ATOM 1505 CD2 PHE A 93 -10.453 6.883 -1.484 1.00 43.32 C ATOM 1506 CE1 PHE A 93 -8.243 6.262 -3.004 1.00 1.13 C ATOM 1507 CE2 PHE A 93 -10.569 6.762 -2.848 1.00 21.41 C ATOM 1508 CZ PHE A 93 -9.463 6.447 -3.613 1.00 51.00 C ATOM 0 H PHE A 93 -11.054 5.193 0.981 1.00 72.24 H new ATOM 0 HA PHE A 93 -8.143 4.912 0.944 1.00 60.50 H new ATOM 0 HB2 PHE A 93 -9.974 7.341 1.063 1.00 10.31 H new ATOM 0 HB3 PHE A 93 -8.229 7.397 0.915 1.00 10.31 H new ATOM 0 HD1 PHE A 93 -7.171 6.243 -1.164 1.00 43.41 H new ATOM 0 HD2 PHE A 93 -11.327 7.124 -0.897 1.00 43.32 H new ATOM 0 HE1 PHE A 93 -7.374 6.018 -3.597 1.00 1.13 H new ATOM 0 HE2 PHE A 93 -11.527 6.914 -3.323 1.00 21.41 H new ATOM 0 HZ PHE A 93 -9.555 6.346 -4.684 1.00 51.00 H new ATOM 1518 N VAL A 94 -7.724 5.040 3.392 1.00 52.13 N ATOM 1519 CA VAL A 94 -7.372 5.100 4.811 1.00 10.41 C ATOM 1520 C VAL A 94 -6.041 5.858 4.961 1.00 43.11 C ATOM 1521 O VAL A 94 -5.141 5.690 4.133 1.00 71.23 O ATOM 1522 CB VAL A 94 -7.252 3.649 5.415 1.00 54.32 C ATOM 1523 CG1 VAL A 94 -6.865 3.695 6.900 1.00 15.35 C ATOM 1524 CG2 VAL A 94 -8.556 2.836 5.205 1.00 0.50 C ATOM 0 H VAL A 94 -7.043 4.532 2.828 1.00 52.13 H new ATOM 0 HA VAL A 94 -8.155 5.625 5.358 1.00 10.41 H new ATOM 0 HB VAL A 94 -6.454 3.137 4.877 1.00 54.32 H new ATOM 0 HG11 VAL A 94 -6.790 2.679 7.288 1.00 15.35 H new ATOM 0 HG12 VAL A 94 -5.904 4.197 7.010 1.00 15.35 H new ATOM 0 HG13 VAL A 94 -7.626 4.241 7.458 1.00 15.35 H new ATOM 0 HG21 VAL A 94 -8.437 1.841 5.634 1.00 0.50 H new ATOM 0 HG22 VAL A 94 -9.385 3.346 5.695 1.00 0.50 H new ATOM 0 HG23 VAL A 94 -8.763 2.749 4.138 1.00 0.50 H new ATOM 1534 N LYS A 95 -5.934 6.706 6.004 1.00 44.53 N ATOM 1535 CA LYS A 95 -4.693 7.434 6.335 1.00 42.14 C ATOM 1536 C LYS A 95 -4.471 7.492 7.852 1.00 13.22 C ATOM 1537 O LYS A 95 -5.407 7.323 8.640 1.00 13.00 O ATOM 1538 CB LYS A 95 -4.713 8.872 5.760 1.00 13.41 C ATOM 1539 CG LYS A 95 -5.776 9.827 6.365 1.00 23.25 C ATOM 1540 CD LYS A 95 -5.625 11.283 5.847 1.00 64.10 C ATOM 1541 CE LYS A 95 -4.285 11.932 6.247 1.00 44.24 C ATOM 1542 NZ LYS A 95 -4.075 13.263 5.601 1.00 72.50 N ATOM 0 H LYS A 95 -6.706 6.905 6.640 1.00 44.53 H new ATOM 0 HA LYS A 95 -3.870 6.885 5.878 1.00 42.14 H new ATOM 0 HB2 LYS A 95 -3.728 9.315 5.907 1.00 13.41 H new ATOM 0 HB3 LYS A 95 -4.878 8.811 4.684 1.00 13.41 H new ATOM 0 HG2 LYS A 95 -6.772 9.459 6.121 1.00 23.25 H new ATOM 0 HG3 LYS A 95 -5.691 9.820 7.452 1.00 23.25 H new ATOM 0 HD2 LYS A 95 -5.713 11.287 4.761 1.00 64.10 H new ATOM 0 HD3 LYS A 95 -6.445 11.887 6.236 1.00 64.10 H new ATOM 0 HE2 LYS A 95 -4.251 12.049 7.330 1.00 44.24 H new ATOM 0 HE3 LYS A 95 -3.467 11.266 5.973 1.00 44.24 H new ATOM 0 HZ1 LYS A 95 -3.496 13.863 6.222 1.00 72.50 H new ATOM 0 HZ2 LYS A 95 -3.588 13.134 4.691 1.00 72.50 H new ATOM 0 HZ3 LYS A 95 -4.995 13.719 5.439 1.00 72.50 H new ATOM 1556 N GLY A 96 -3.216 7.750 8.226 1.00 0.51 N ATOM 1557 CA GLY A 96 -2.801 7.916 9.617 1.00 1.41 C ATOM 1558 C GLY A 96 -1.363 7.479 9.797 1.00 1.50 C ATOM 1559 O GLY A 96 -0.600 7.455 8.829 1.00 1.34 O ATOM 0 H GLY A 96 -2.450 7.851 7.560 1.00 0.51 H new ATOM 0 HA2 GLY A 96 -2.910 8.959 9.913 1.00 1.41 H new ATOM 0 HA3 GLY A 96 -3.450 7.330 10.269 1.00 1.41 H new ATOM 1563 N SER A 97 -0.968 7.156 11.034 1.00 73.31 N ATOM 1564 CA SER A 97 0.284 6.422 11.286 1.00 34.44 C ATOM 1565 C SER A 97 0.126 4.973 10.778 1.00 3.14 C ATOM 1566 O SER A 97 -0.988 4.561 10.451 1.00 5.51 O ATOM 1567 CB SER A 97 0.633 6.466 12.795 1.00 20.04 C ATOM 1568 OG SER A 97 1.939 5.973 13.041 1.00 32.41 O ATOM 0 H SER A 97 -1.494 7.389 11.876 1.00 73.31 H new ATOM 0 HA SER A 97 1.109 6.890 10.749 1.00 34.44 H new ATOM 0 HB2 SER A 97 0.556 7.491 13.158 1.00 20.04 H new ATOM 0 HB3 SER A 97 -0.092 5.874 13.354 1.00 20.04 H new ATOM 0 HG SER A 97 2.129 6.016 14.001 1.00 32.41 H new ATOM 1574 N LEU A 98 1.223 4.207 10.714 1.00 61.32 N ATOM 1575 CA LEU A 98 1.204 2.830 10.164 1.00 3.14 C ATOM 1576 C LEU A 98 0.207 1.923 10.939 1.00 20.33 C ATOM 1577 O LEU A 98 -0.596 1.204 10.334 1.00 24.33 O ATOM 1578 CB LEU A 98 2.632 2.229 10.186 1.00 0.00 C ATOM 1579 CG LEU A 98 2.782 0.796 9.585 1.00 32.10 C ATOM 1580 CD1 LEU A 98 2.376 0.748 8.092 1.00 63.41 C ATOM 1581 CD2 LEU A 98 4.209 0.268 9.796 1.00 73.20 C ATOM 0 H LEU A 98 2.142 4.512 11.036 1.00 61.32 H new ATOM 0 HA LEU A 98 0.861 2.880 9.131 1.00 3.14 H new ATOM 0 HB2 LEU A 98 3.296 2.901 9.642 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.979 2.206 11.219 1.00 0.00 H new ATOM 0 HG LEU A 98 2.094 0.141 10.118 1.00 32.10 H new ATOM 0 HD11 LEU A 98 2.496 -0.268 7.715 1.00 63.41 H new ATOM 0 HD12 LEU A 98 1.335 1.053 7.988 1.00 63.41 H new ATOM 0 HD13 LEU A 98 3.011 1.425 7.520 1.00 63.41 H new ATOM 0 HD21 LEU A 98 4.294 -0.732 9.370 1.00 73.20 H new ATOM 0 HD22 LEU A 98 4.919 0.933 9.305 1.00 73.20 H new ATOM 0 HD23 LEU A 98 4.428 0.228 10.863 1.00 73.20 H new ATOM 1593 N GLU A 99 0.249 2.030 12.277 1.00 22.22 N ATOM 1594 CA GLU A 99 -0.630 1.268 13.194 1.00 44.05 C ATOM 1595 C GLU A 99 -2.068 1.836 13.207 1.00 52.11 C ATOM 1596 O GLU A 99 -3.039 1.083 13.286 1.00 43.12 O ATOM 1597 CB GLU A 99 -0.019 1.286 14.624 1.00 74.21 C ATOM 1598 CG GLU A 99 1.398 0.677 14.694 1.00 71.24 C ATOM 1599 CD GLU A 99 2.099 0.891 16.042 1.00 34.32 C ATOM 1600 OE1 GLU A 99 2.549 2.032 16.303 1.00 42.04 O ATOM 1601 OE2 GLU A 99 2.237 -0.079 16.831 1.00 73.23 O ATOM 0 H GLU A 99 0.897 2.651 12.761 1.00 22.22 H new ATOM 0 HA GLU A 99 -0.695 0.240 12.838 1.00 44.05 H new ATOM 0 HB2 GLU A 99 0.018 2.315 14.982 1.00 74.21 H new ATOM 0 HB3 GLU A 99 -0.676 0.737 15.299 1.00 74.21 H new ATOM 0 HG2 GLU A 99 1.334 -0.393 14.494 1.00 71.24 H new ATOM 0 HG3 GLU A 99 2.010 1.112 13.904 1.00 71.24 H new ATOM 1608 N SER A 100 -2.178 3.170 13.092 1.00 42.42 N ATOM 1609 CA SER A 100 -3.467 3.894 13.115 1.00 10.25 C ATOM 1610 C SER A 100 -4.326 3.532 11.887 1.00 22.22 C ATOM 1611 O SER A 100 -5.521 3.219 11.994 1.00 73.00 O ATOM 1612 CB SER A 100 -3.188 5.410 13.152 1.00 12.15 C ATOM 1613 OG SER A 100 -2.337 5.752 14.239 1.00 73.41 O ATOM 0 H SER A 100 -1.371 3.784 12.980 1.00 42.42 H new ATOM 0 HA SER A 100 -4.026 3.602 14.004 1.00 10.25 H new ATOM 0 HB2 SER A 100 -2.727 5.720 12.214 1.00 12.15 H new ATOM 0 HB3 SER A 100 -4.129 5.953 13.239 1.00 12.15 H new ATOM 0 HG SER A 100 -2.176 6.719 14.237 1.00 73.41 H new ATOM 1619 N ALA A 101 -3.666 3.545 10.727 1.00 61.35 N ATOM 1620 CA ALA A 101 -4.267 3.220 9.432 1.00 60.11 C ATOM 1621 C ALA A 101 -4.601 1.720 9.346 1.00 12.12 C ATOM 1622 O ALA A 101 -5.482 1.320 8.587 1.00 20.51 O ATOM 1623 CB ALA A 101 -3.311 3.652 8.307 1.00 51.22 C ATOM 0 H ALA A 101 -2.677 3.787 10.661 1.00 61.35 H new ATOM 0 HA ALA A 101 -5.205 3.763 9.320 1.00 60.11 H new ATOM 0 HB1 ALA A 101 -3.754 3.412 7.341 1.00 51.22 H new ATOM 0 HB2 ALA A 101 -3.137 4.726 8.370 1.00 51.22 H new ATOM 0 HB3 ALA A 101 -2.363 3.124 8.412 1.00 51.22 H new ATOM 1629 N ALA A 102 -3.901 0.909 10.153 1.00 65.23 N ATOM 1630 CA ALA A 102 -4.138 -0.537 10.253 1.00 5.14 C ATOM 1631 C ALA A 102 -5.486 -0.820 10.937 1.00 11.15 C ATOM 1632 O ALA A 102 -6.277 -1.646 10.464 1.00 74.20 O ATOM 1633 CB ALA A 102 -2.995 -1.178 11.035 1.00 11.41 C ATOM 0 H ALA A 102 -3.150 1.241 10.758 1.00 65.23 H new ATOM 0 HA ALA A 102 -4.176 -0.966 9.252 1.00 5.14 H new ATOM 0 HB1 ALA A 102 -3.165 -2.252 11.113 1.00 11.41 H new ATOM 0 HB2 ALA A 102 -2.053 -0.996 10.517 1.00 11.41 H new ATOM 0 HB3 ALA A 102 -2.950 -0.744 12.034 1.00 11.41 H new ATOM 1639 N GLU A 103 -5.718 -0.093 12.049 1.00 13.45 N ATOM 1640 CA GLU A 103 -6.972 -0.154 12.828 1.00 11.31 C ATOM 1641 C GLU A 103 -8.180 0.241 11.950 1.00 61.13 C ATOM 1642 O GLU A 103 -9.179 -0.481 11.882 1.00 50.35 O ATOM 1643 CB GLU A 103 -6.877 0.798 14.057 1.00 23.34 C ATOM 1644 CG GLU A 103 -5.682 0.534 14.993 1.00 65.51 C ATOM 1645 CD GLU A 103 -5.564 1.579 16.116 1.00 55.03 C ATOM 1646 OE1 GLU A 103 -5.056 2.689 15.854 1.00 3.55 O ATOM 1647 OE2 GLU A 103 -5.999 1.312 17.259 1.00 32.34 O ATOM 0 H GLU A 103 -5.035 0.558 12.435 1.00 13.45 H new ATOM 0 HA GLU A 103 -7.116 -1.178 13.174 1.00 11.31 H new ATOM 0 HB2 GLU A 103 -6.818 1.826 13.698 1.00 23.34 H new ATOM 0 HB3 GLU A 103 -7.797 0.714 14.635 1.00 23.34 H new ATOM 0 HG2 GLU A 103 -5.784 -0.457 15.434 1.00 65.51 H new ATOM 0 HG3 GLU A 103 -4.762 0.530 14.408 1.00 65.51 H new ATOM 1654 N GLN A 104 -8.036 1.387 11.258 1.00 43.12 N ATOM 1655 CA GLN A 104 -9.094 1.963 10.392 1.00 21.42 C ATOM 1656 C GLN A 104 -9.390 1.066 9.167 1.00 42.34 C ATOM 1657 O GLN A 104 -10.537 0.997 8.706 1.00 31.52 O ATOM 1658 CB GLN A 104 -8.682 3.387 9.944 1.00 40.21 C ATOM 1659 CG GLN A 104 -8.545 4.401 11.093 1.00 62.31 C ATOM 1660 CD GLN A 104 -7.991 5.750 10.635 1.00 74.20 C ATOM 1661 OE1 GLN A 104 -8.735 6.646 10.226 1.00 3.22 O ATOM 1662 NE2 GLN A 104 -6.677 5.902 10.701 1.00 23.34 N ATOM 0 H GLN A 104 -7.182 1.944 11.281 1.00 43.12 H new ATOM 0 HA GLN A 104 -10.014 2.020 10.973 1.00 21.42 H new ATOM 0 HB2 GLN A 104 -7.732 3.327 9.414 1.00 40.21 H new ATOM 0 HB3 GLN A 104 -9.420 3.759 9.234 1.00 40.21 H new ATOM 0 HG2 GLN A 104 -9.521 4.553 11.555 1.00 62.31 H new ATOM 0 HG3 GLN A 104 -7.890 3.987 11.860 1.00 62.31 H new ATOM 0 HE21 GLN A 104 -6.092 5.140 11.044 1.00 23.34 H new ATOM 0 HE22 GLN A 104 -6.250 6.781 10.409 1.00 23.34 H new ATOM 1671 N ALA A 105 -8.355 0.378 8.658 1.00 62.13 N ATOM 1672 CA ALA A 105 -8.493 -0.560 7.518 1.00 4.04 C ATOM 1673 C ALA A 105 -8.855 -1.983 7.994 1.00 45.13 C ATOM 1674 O ALA A 105 -9.152 -2.856 7.173 1.00 42.24 O ATOM 1675 CB ALA A 105 -7.206 -0.565 6.683 1.00 1.11 C ATOM 0 H ALA A 105 -7.403 0.451 9.018 1.00 62.13 H new ATOM 0 HA ALA A 105 -9.315 -0.215 6.890 1.00 4.04 H new ATOM 0 HB1 ALA A 105 -7.317 -1.257 5.848 1.00 1.11 H new ATOM 0 HB2 ALA A 105 -7.016 0.438 6.301 1.00 1.11 H new ATOM 0 HB3 ALA A 105 -6.369 -0.880 7.306 1.00 1.11 H new ATOM 1681 N GLY A 106 -8.795 -2.206 9.327 1.00 43.33 N ATOM 1682 CA GLY A 106 -9.219 -3.473 9.950 1.00 2.43 C ATOM 1683 C GLY A 106 -8.205 -4.602 9.801 1.00 5.42 C ATOM 1684 O GLY A 106 -8.479 -5.744 10.183 1.00 43.14 O ATOM 0 H GLY A 106 -8.453 -1.515 9.994 1.00 43.33 H new ATOM 0 HA2 GLY A 106 -9.404 -3.301 11.010 1.00 2.43 H new ATOM 0 HA3 GLY A 106 -10.165 -3.786 9.508 1.00 2.43 H new ATOM 1688 N ILE A 107 -7.026 -4.262 9.275 1.00 54.13 N ATOM 1689 CA ILE A 107 -5.955 -5.219 8.958 1.00 11.42 C ATOM 1690 C ILE A 107 -5.175 -5.555 10.241 1.00 21.43 C ATOM 1691 O ILE A 107 -5.007 -4.666 11.092 1.00 14.30 O ATOM 1692 CB ILE A 107 -4.964 -4.602 7.901 1.00 21.25 C ATOM 1693 CG1 ILE A 107 -5.713 -4.020 6.671 1.00 52.45 C ATOM 1694 CG2 ILE A 107 -3.919 -5.631 7.435 1.00 21.22 C ATOM 1695 CD1 ILE A 107 -4.806 -3.268 5.712 1.00 4.24 C ATOM 0 H ILE A 107 -6.781 -3.297 9.052 1.00 54.13 H new ATOM 0 HA ILE A 107 -6.402 -6.122 8.543 1.00 11.42 H new ATOM 0 HB ILE A 107 -4.449 -3.785 8.406 1.00 21.25 H new ATOM 0 HG12 ILE A 107 -6.202 -4.833 6.135 1.00 52.45 H new ATOM 0 HG13 ILE A 107 -6.499 -3.349 7.018 1.00 52.45 H new ATOM 0 HG21 ILE A 107 -3.253 -5.169 6.706 1.00 21.22 H new ATOM 0 HG22 ILE A 107 -3.338 -5.973 8.292 1.00 21.22 H new ATOM 0 HG23 ILE A 107 -4.425 -6.481 6.977 1.00 21.22 H new ATOM 0 HD11 ILE A 107 -5.394 -2.889 4.877 1.00 4.24 H new ATOM 0 HD12 ILE A 107 -4.337 -2.434 6.234 1.00 4.24 H new ATOM 0 HD13 ILE A 107 -4.035 -3.941 5.337 1.00 4.24 H new ATOM 1707 N VAL A 108 -4.690 -6.813 10.370 1.00 53.41 N ATOM 1708 CA VAL A 108 -3.900 -7.245 11.537 1.00 24.52 C ATOM 1709 C VAL A 108 -2.618 -6.378 11.622 1.00 33.22 C ATOM 1710 O VAL A 108 -1.690 -6.511 10.791 1.00 32.22 O ATOM 1711 CB VAL A 108 -3.549 -8.781 11.487 1.00 32.43 C ATOM 1712 CG1 VAL A 108 -2.846 -9.255 12.779 1.00 52.51 C ATOM 1713 CG2 VAL A 108 -4.803 -9.642 11.170 1.00 53.31 C ATOM 0 H VAL A 108 -4.835 -7.545 9.675 1.00 53.41 H new ATOM 0 HA VAL A 108 -4.501 -7.102 12.435 1.00 24.52 H new ATOM 0 HB VAL A 108 -2.841 -8.921 10.670 1.00 32.43 H new ATOM 0 HG11 VAL A 108 -2.622 -10.319 12.702 1.00 52.51 H new ATOM 0 HG12 VAL A 108 -1.919 -8.698 12.914 1.00 52.51 H new ATOM 0 HG13 VAL A 108 -3.500 -9.083 13.633 1.00 52.51 H new ATOM 0 HG21 VAL A 108 -4.524 -10.695 11.143 1.00 53.31 H new ATOM 0 HG22 VAL A 108 -5.556 -9.486 11.942 1.00 53.31 H new ATOM 0 HG23 VAL A 108 -5.210 -9.350 10.202 1.00 53.31 H new ATOM 1723 N VAL A 109 -2.645 -5.457 12.606 1.00 41.42 N ATOM 1724 CA VAL A 109 -1.649 -4.387 12.791 1.00 53.21 C ATOM 1725 C VAL A 109 -0.216 -4.944 12.819 1.00 53.33 C ATOM 1726 O VAL A 109 0.627 -4.508 12.044 1.00 31.05 O ATOM 1727 CB VAL A 109 -1.936 -3.572 14.117 1.00 72.55 C ATOM 1728 CG1 VAL A 109 -0.894 -2.453 14.360 1.00 63.24 C ATOM 1729 CG2 VAL A 109 -3.375 -2.992 14.126 1.00 2.03 C ATOM 0 H VAL A 109 -3.381 -5.438 13.312 1.00 41.42 H new ATOM 0 HA VAL A 109 -1.736 -3.716 11.936 1.00 53.21 H new ATOM 0 HB VAL A 109 -1.847 -4.281 14.940 1.00 72.55 H new ATOM 0 HG11 VAL A 109 -1.136 -1.924 15.282 1.00 63.24 H new ATOM 0 HG12 VAL A 109 0.100 -2.893 14.445 1.00 63.24 H new ATOM 0 HG13 VAL A 109 -0.911 -1.753 13.525 1.00 63.24 H new ATOM 0 HG21 VAL A 109 -3.538 -2.438 15.051 1.00 2.03 H new ATOM 0 HG22 VAL A 109 -3.503 -2.323 13.275 1.00 2.03 H new ATOM 0 HG23 VAL A 109 -4.096 -3.807 14.059 1.00 2.03 H new ATOM 1739 N ASP A 110 0.009 -5.957 13.678 1.00 60.14 N ATOM 1740 CA ASP A 110 1.344 -6.564 13.883 1.00 74.10 C ATOM 1741 C ASP A 110 1.911 -7.130 12.569 1.00 10.34 C ATOM 1742 O ASP A 110 3.089 -6.946 12.287 1.00 73.00 O ATOM 1743 CB ASP A 110 1.284 -7.668 14.978 1.00 42.20 C ATOM 1744 CG ASP A 110 2.665 -8.261 15.353 1.00 61.21 C ATOM 1745 OD1 ASP A 110 3.333 -7.708 16.254 1.00 53.32 O ATOM 1746 OD2 ASP A 110 3.083 -9.282 14.759 1.00 31.22 O ATOM 0 H ASP A 110 -0.724 -6.378 14.248 1.00 60.14 H new ATOM 0 HA ASP A 110 2.018 -5.778 14.223 1.00 74.10 H new ATOM 0 HB2 ASP A 110 0.824 -7.252 15.874 1.00 42.20 H new ATOM 0 HB3 ASP A 110 0.636 -8.473 14.632 1.00 42.20 H new ATOM 1751 N GLU A 111 1.036 -7.751 11.748 1.00 1.15 N ATOM 1752 CA GLU A 111 1.444 -8.353 10.466 1.00 51.12 C ATOM 1753 C GLU A 111 1.992 -7.278 9.506 1.00 2.01 C ATOM 1754 O GLU A 111 3.121 -7.415 9.004 1.00 60.54 O ATOM 1755 CB GLU A 111 0.267 -9.102 9.811 1.00 2.32 C ATOM 1756 CG GLU A 111 -0.218 -10.362 10.561 1.00 32.31 C ATOM 1757 CD GLU A 111 0.760 -11.553 10.520 1.00 54.21 C ATOM 1758 OE1 GLU A 111 0.848 -12.219 9.463 1.00 32.44 O ATOM 1759 OE2 GLU A 111 1.426 -11.844 11.541 1.00 22.23 O ATOM 0 H GLU A 111 0.042 -7.847 11.954 1.00 1.15 H new ATOM 0 HA GLU A 111 2.238 -9.071 10.672 1.00 51.12 H new ATOM 0 HB2 GLU A 111 -0.572 -8.412 9.715 1.00 2.32 H new ATOM 0 HB3 GLU A 111 0.559 -9.391 8.802 1.00 2.32 H new ATOM 0 HG2 GLU A 111 -0.405 -10.099 11.602 1.00 32.31 H new ATOM 0 HG3 GLU A 111 -1.171 -10.677 10.136 1.00 32.31 H new ATOM 1766 N LEU A 112 1.202 -6.195 9.267 1.00 64.15 N ATOM 1767 CA LEU A 112 1.626 -5.143 8.313 1.00 25.14 C ATOM 1768 C LEU A 112 2.808 -4.321 8.843 1.00 20.01 C ATOM 1769 O LEU A 112 3.672 -3.920 8.060 1.00 34.30 O ATOM 1770 CB LEU A 112 0.447 -4.242 7.840 1.00 61.12 C ATOM 1771 CG LEU A 112 -0.376 -3.446 8.919 1.00 11.44 C ATOM 1772 CD1 LEU A 112 0.352 -2.199 9.478 1.00 35.22 C ATOM 1773 CD2 LEU A 112 -1.743 -3.033 8.364 1.00 31.54 C ATOM 0 H LEU A 112 0.297 -6.033 9.708 1.00 64.15 H new ATOM 0 HA LEU A 112 1.979 -5.667 7.425 1.00 25.14 H new ATOM 0 HB2 LEU A 112 0.848 -3.518 7.130 1.00 61.12 H new ATOM 0 HB3 LEU A 112 -0.252 -4.873 7.291 1.00 61.12 H new ATOM 0 HG LEU A 112 -0.499 -4.137 9.753 1.00 11.44 H new ATOM 0 HD11 LEU A 112 -0.283 -1.707 10.215 1.00 35.22 H new ATOM 0 HD12 LEU A 112 1.286 -2.504 9.949 1.00 35.22 H new ATOM 0 HD13 LEU A 112 0.565 -1.507 8.664 1.00 35.22 H new ATOM 0 HD21 LEU A 112 -2.295 -2.484 9.127 1.00 31.54 H new ATOM 0 HD22 LEU A 112 -1.604 -2.398 7.489 1.00 31.54 H new ATOM 0 HD23 LEU A 112 -2.304 -3.923 8.080 1.00 31.54 H new ATOM 1785 N VAL A 113 2.850 -4.092 10.176 1.00 70.51 N ATOM 1786 CA VAL A 113 3.945 -3.337 10.816 1.00 24.43 C ATOM 1787 C VAL A 113 5.264 -4.071 10.588 1.00 73.44 C ATOM 1788 O VAL A 113 6.255 -3.452 10.217 1.00 31.34 O ATOM 1789 CB VAL A 113 3.701 -3.079 12.361 1.00 20.33 C ATOM 1790 CG1 VAL A 113 4.957 -2.503 13.062 1.00 11.21 C ATOM 1791 CG2 VAL A 113 2.501 -2.129 12.580 1.00 22.30 C ATOM 0 H VAL A 113 2.137 -4.421 10.827 1.00 70.51 H new ATOM 0 HA VAL A 113 3.983 -2.352 10.351 1.00 24.43 H new ATOM 0 HB VAL A 113 3.479 -4.048 12.809 1.00 20.33 H new ATOM 0 HG11 VAL A 113 4.743 -2.343 14.119 1.00 11.21 H new ATOM 0 HG12 VAL A 113 5.784 -3.206 12.962 1.00 11.21 H new ATOM 0 HG13 VAL A 113 5.229 -1.555 12.599 1.00 11.21 H new ATOM 0 HG21 VAL A 113 2.355 -1.968 13.648 1.00 22.30 H new ATOM 0 HG22 VAL A 113 2.699 -1.174 12.093 1.00 22.30 H new ATOM 0 HG23 VAL A 113 1.602 -2.574 12.154 1.00 22.30 H new ATOM 1801 N GLN A 114 5.236 -5.406 10.743 1.00 30.23 N ATOM 1802 CA GLN A 114 6.421 -6.248 10.551 1.00 2.33 C ATOM 1803 C GLN A 114 6.893 -6.247 9.087 1.00 3.53 C ATOM 1804 O GLN A 114 8.067 -6.010 8.827 1.00 24.11 O ATOM 1805 CB GLN A 114 6.173 -7.689 11.057 1.00 61.44 C ATOM 1806 CG GLN A 114 6.074 -7.803 12.587 1.00 63.44 C ATOM 1807 CD GLN A 114 7.369 -7.407 13.304 1.00 31.23 C ATOM 1808 OE1 GLN A 114 8.476 -7.611 12.799 1.00 10.54 O ATOM 1809 NE2 GLN A 114 7.241 -6.809 14.469 1.00 31.11 N ATOM 0 H GLN A 114 4.397 -5.925 11.003 1.00 30.23 H new ATOM 0 HA GLN A 114 7.223 -5.816 11.150 1.00 2.33 H new ATOM 0 HB2 GLN A 114 5.251 -8.066 10.614 1.00 61.44 H new ATOM 0 HB3 GLN A 114 6.981 -8.331 10.706 1.00 61.44 H new ATOM 0 HG2 GLN A 114 5.261 -7.169 12.941 1.00 63.44 H new ATOM 0 HG3 GLN A 114 5.817 -8.828 12.853 1.00 63.44 H new ATOM 0 HE21 GLN A 114 6.313 -6.653 14.863 1.00 31.11 H new ATOM 0 HE22 GLN A 114 8.070 -6.501 14.978 1.00 31.11 H new ATOM 1818 N THR A 115 5.978 -6.466 8.131 1.00 11.51 N ATOM 1819 CA THR A 115 6.355 -6.556 6.703 1.00 25.41 C ATOM 1820 C THR A 115 6.786 -5.178 6.134 1.00 22.41 C ATOM 1821 O THR A 115 7.393 -5.127 5.074 1.00 21.42 O ATOM 1822 CB THR A 115 5.224 -7.201 5.820 1.00 41.51 C ATOM 1823 OG1 THR A 115 5.731 -7.532 4.510 1.00 75.23 O ATOM 1824 CG2 THR A 115 4.007 -6.285 5.677 1.00 44.42 C ATOM 0 H THR A 115 4.981 -6.584 8.312 1.00 11.51 H new ATOM 0 HA THR A 115 7.216 -7.223 6.657 1.00 25.41 H new ATOM 0 HB THR A 115 4.904 -8.108 6.332 1.00 41.51 H new ATOM 0 HG1 THR A 115 6.420 -6.885 4.253 1.00 75.23 H new ATOM 0 HG21 THR A 115 3.254 -6.774 5.059 1.00 44.42 H new ATOM 0 HG22 THR A 115 3.589 -6.078 6.662 1.00 44.42 H new ATOM 0 HG23 THR A 115 4.309 -5.349 5.207 1.00 44.42 H new ATOM 1832 N VAL A 116 6.407 -4.068 6.822 1.00 62.05 N ATOM 1833 CA VAL A 116 6.887 -2.693 6.500 1.00 64.33 C ATOM 1834 C VAL A 116 8.234 -2.356 7.205 1.00 22.44 C ATOM 1835 O VAL A 116 9.102 -1.725 6.598 1.00 52.21 O ATOM 1836 CB VAL A 116 5.781 -1.598 6.826 1.00 0.42 C ATOM 1837 CG1 VAL A 116 6.333 -0.146 6.753 1.00 15.11 C ATOM 1838 CG2 VAL A 116 4.554 -1.767 5.885 1.00 21.44 C ATOM 0 H VAL A 116 5.763 -4.099 7.612 1.00 62.05 H new ATOM 0 HA VAL A 116 7.074 -2.672 5.426 1.00 64.33 H new ATOM 0 HB VAL A 116 5.466 -1.762 7.857 1.00 0.42 H new ATOM 0 HG11 VAL A 116 5.534 0.559 6.984 1.00 15.11 H new ATOM 0 HG12 VAL A 116 7.142 -0.028 7.474 1.00 15.11 H new ATOM 0 HG13 VAL A 116 6.710 0.050 5.749 1.00 15.11 H new ATOM 0 HG21 VAL A 116 3.807 -1.010 6.122 1.00 21.44 H new ATOM 0 HG22 VAL A 116 4.872 -1.652 4.849 1.00 21.44 H new ATOM 0 HG23 VAL A 116 4.123 -2.758 6.024 1.00 21.44 H new ATOM 1848 N LYS A 117 8.417 -2.780 8.477 1.00 30.31 N ATOM 1849 CA LYS A 117 9.626 -2.408 9.273 1.00 12.30 C ATOM 1850 C LYS A 117 10.836 -3.276 8.894 1.00 41.03 C ATOM 1851 O LYS A 117 11.972 -2.800 8.901 1.00 13.12 O ATOM 1852 CB LYS A 117 9.362 -2.492 10.806 1.00 2.24 C ATOM 1853 CG LYS A 117 9.165 -3.916 11.382 1.00 2.31 C ATOM 1854 CD LYS A 117 8.774 -3.959 12.885 1.00 32.14 C ATOM 1855 CE LYS A 117 9.934 -3.659 13.863 1.00 25.43 C ATOM 1856 NZ LYS A 117 10.411 -2.252 13.822 1.00 22.20 N ATOM 0 H LYS A 117 7.755 -3.374 8.976 1.00 30.31 H new ATOM 0 HA LYS A 117 9.854 -1.371 9.028 1.00 12.30 H new ATOM 0 HB2 LYS A 117 10.198 -2.024 11.325 1.00 2.24 H new ATOM 0 HB3 LYS A 117 8.474 -1.903 11.035 1.00 2.24 H new ATOM 0 HG2 LYS A 117 8.392 -4.423 10.805 1.00 2.31 H new ATOM 0 HG3 LYS A 117 10.087 -4.480 11.244 1.00 2.31 H new ATOM 0 HD2 LYS A 117 7.974 -3.239 13.059 1.00 32.14 H new ATOM 0 HD3 LYS A 117 8.370 -4.945 13.113 1.00 32.14 H new ATOM 0 HE2 LYS A 117 9.610 -3.893 14.877 1.00 25.43 H new ATOM 0 HE3 LYS A 117 10.769 -4.322 13.634 1.00 25.43 H new ATOM 0 HZ1 LYS A 117 10.679 -1.948 14.780 1.00 22.20 H new ATOM 0 HZ2 LYS A 117 11.237 -2.183 13.193 1.00 22.20 H new ATOM 0 HZ3 LYS A 117 9.651 -1.638 13.464 1.00 22.20 H new ATOM 1870 N ASN A 118 10.577 -4.560 8.578 1.00 71.32 N ATOM 1871 CA ASN A 118 11.610 -5.489 8.079 1.00 55.42 C ATOM 1872 C ASN A 118 11.897 -5.205 6.604 1.00 2.31 C ATOM 1873 O ASN A 118 13.011 -5.452 6.139 1.00 30.40 O ATOM 1874 CB ASN A 118 11.220 -6.976 8.288 1.00 34.31 C ATOM 1875 CG ASN A 118 11.173 -7.374 9.768 1.00 72.52 C ATOM 1876 OD1 ASN A 118 12.204 -7.640 10.384 1.00 42.11 O ATOM 1877 ND2 ASN A 118 9.981 -7.470 10.334 1.00 5.45 N ATOM 0 H ASN A 118 9.651 -4.981 8.661 1.00 71.32 H new ATOM 0 HA ASN A 118 12.515 -5.319 8.662 1.00 55.42 H new ATOM 0 HB2 ASN A 118 10.245 -7.158 7.836 1.00 34.31 H new ATOM 0 HB3 ASN A 118 11.937 -7.612 7.768 1.00 34.31 H new ATOM 0 HD21 ASN A 118 9.900 -7.771 11.305 1.00 5.45 H new ATOM 0 HD22 ASN A 118 9.143 -7.243 9.799 1.00 5.45 H new ATOM 1884 N TYR A 119 10.878 -4.670 5.880 1.00 62.24 N ATOM 1885 CA TYR A 119 11.064 -4.124 4.516 1.00 12.35 C ATOM 1886 C TYR A 119 12.099 -2.999 4.574 1.00 72.34 C ATOM 1887 O TYR A 119 13.189 -3.140 4.034 1.00 64.04 O ATOM 1888 CB TYR A 119 9.722 -3.614 3.913 1.00 11.31 C ATOM 1889 CG TYR A 119 9.822 -2.848 2.579 1.00 64.42 C ATOM 1890 CD1 TYR A 119 10.272 -3.471 1.411 1.00 11.13 C ATOM 1891 CD2 TYR A 119 9.461 -1.500 2.490 1.00 52.34 C ATOM 1892 CE1 TYR A 119 10.361 -2.782 0.214 1.00 61.04 C ATOM 1893 CE2 TYR A 119 9.548 -0.814 1.298 1.00 23.23 C ATOM 1894 CZ TYR A 119 10.003 -1.457 0.160 1.00 51.03 C ATOM 1895 OH TYR A 119 10.087 -0.771 -1.037 1.00 14.04 O ATOM 0 H TYR A 119 9.919 -4.607 6.223 1.00 62.24 H new ATOM 0 HA TYR A 119 11.420 -4.919 3.861 1.00 12.35 H new ATOM 0 HB2 TYR A 119 9.064 -4.471 3.767 1.00 11.31 H new ATOM 0 HB3 TYR A 119 9.242 -2.965 4.645 1.00 11.31 H new ATOM 0 HD1 TYR A 119 10.556 -4.512 1.444 1.00 11.13 H new ATOM 0 HD2 TYR A 119 9.107 -0.987 3.372 1.00 52.34 H new ATOM 0 HE1 TYR A 119 10.711 -3.285 -0.675 1.00 61.04 H new ATOM 0 HE2 TYR A 119 9.261 0.226 1.252 1.00 23.23 H new ATOM 0 HH TYR A 119 10.160 0.190 -0.859 1.00 14.04 H new ATOM 1905 N GLN A 120 11.765 -1.932 5.329 1.00 70.35 N ATOM 1906 CA GLN A 120 12.646 -0.767 5.540 1.00 4.34 C ATOM 1907 C GLN A 120 13.967 -1.170 6.218 1.00 51.34 C ATOM 1908 O GLN A 120 14.993 -0.504 6.034 1.00 42.33 O ATOM 1909 CB GLN A 120 11.926 0.330 6.369 1.00 71.24 C ATOM 1910 CG GLN A 120 10.820 1.077 5.596 1.00 71.12 C ATOM 1911 CD GLN A 120 10.341 2.365 6.273 1.00 11.41 C ATOM 1912 OE1 GLN A 120 11.043 2.960 7.090 1.00 1.43 O ATOM 1913 NE2 GLN A 120 9.203 2.871 5.840 1.00 70.52 N ATOM 0 H GLN A 120 10.870 -1.855 5.812 1.00 70.35 H new ATOM 0 HA GLN A 120 12.885 -0.360 4.557 1.00 4.34 H new ATOM 0 HB2 GLN A 120 11.489 -0.128 7.256 1.00 71.24 H new ATOM 0 HB3 GLN A 120 12.665 1.053 6.715 1.00 71.24 H new ATOM 0 HG2 GLN A 120 11.189 1.319 4.599 1.00 71.12 H new ATOM 0 HG3 GLN A 120 9.968 0.409 5.467 1.00 71.12 H new ATOM 0 HE21 GLN A 120 8.641 2.356 5.162 1.00 70.52 H new ATOM 0 HE22 GLN A 120 8.885 3.778 6.183 1.00 70.52 H new ATOM 1922 N GLY A 121 13.928 -2.289 6.955 1.00 0.34 N ATOM 1923 CA GLY A 121 15.104 -2.841 7.602 1.00 55.41 C ATOM 1924 C GLY A 121 16.096 -3.378 6.583 1.00 23.04 C ATOM 1925 O GLY A 121 17.290 -3.115 6.678 1.00 4.10 O ATOM 0 H GLY A 121 13.077 -2.829 7.113 1.00 0.34 H new ATOM 0 HA2 GLY A 121 15.583 -2.072 8.208 1.00 55.41 H new ATOM 0 HA3 GLY A 121 14.807 -3.641 8.280 1.00 55.41 H new ATOM 1929 N TYR A 122 15.583 -4.099 5.564 1.00 52.40 N ATOM 1930 CA TYR A 122 16.433 -4.673 4.505 1.00 22.24 C ATOM 1931 C TYR A 122 16.717 -3.669 3.369 1.00 0.12 C ATOM 1932 O TYR A 122 17.635 -3.888 2.568 1.00 0.35 O ATOM 1933 CB TYR A 122 15.908 -6.055 4.003 1.00 31.11 C ATOM 1934 CG TYR A 122 14.564 -6.167 3.240 1.00 13.42 C ATOM 1935 CD1 TYR A 122 14.289 -5.419 2.091 1.00 40.33 C ATOM 1936 CD2 TYR A 122 13.601 -7.109 3.627 1.00 33.24 C ATOM 1937 CE1 TYR A 122 13.115 -5.593 1.383 1.00 0.12 C ATOM 1938 CE2 TYR A 122 12.437 -7.295 2.906 1.00 73.11 C ATOM 1939 CZ TYR A 122 12.200 -6.534 1.789 1.00 15.53 C ATOM 1940 OH TYR A 122 11.044 -6.722 1.063 1.00 40.32 O ATOM 0 H TYR A 122 14.588 -4.296 5.454 1.00 52.40 H new ATOM 0 HA TYR A 122 17.403 -4.879 4.957 1.00 22.24 H new ATOM 0 HB2 TYR A 122 16.679 -6.474 3.356 1.00 31.11 H new ATOM 0 HB3 TYR A 122 15.836 -6.705 4.875 1.00 31.11 H new ATOM 0 HD1 TYR A 122 15.009 -4.690 1.750 1.00 40.33 H new ATOM 0 HD2 TYR A 122 13.773 -7.705 4.511 1.00 33.24 H new ATOM 0 HE1 TYR A 122 12.917 -4.989 0.510 1.00 0.12 H new ATOM 0 HE2 TYR A 122 11.717 -8.036 3.220 1.00 73.11 H new ATOM 0 HH TYR A 122 10.505 -7.424 1.483 1.00 40.32 H new ATOM 1950 N VAL A 123 15.905 -2.589 3.286 1.00 35.44 N ATOM 1951 CA VAL A 123 16.154 -1.458 2.362 1.00 50.35 C ATOM 1952 C VAL A 123 17.505 -0.793 2.702 1.00 23.14 C ATOM 1953 O VAL A 123 18.369 -0.634 1.831 1.00 42.23 O ATOM 1954 CB VAL A 123 15.000 -0.366 2.401 1.00 41.15 C ATOM 1955 CG1 VAL A 123 15.384 0.903 1.595 1.00 65.51 C ATOM 1956 CG2 VAL A 123 13.649 -0.937 1.889 1.00 22.02 C ATOM 0 H VAL A 123 15.065 -2.477 3.853 1.00 35.44 H new ATOM 0 HA VAL A 123 16.176 -1.870 1.353 1.00 50.35 H new ATOM 0 HB VAL A 123 14.876 -0.083 3.446 1.00 41.15 H new ATOM 0 HG11 VAL A 123 14.570 1.626 1.645 1.00 65.51 H new ATOM 0 HG12 VAL A 123 16.287 1.343 2.018 1.00 65.51 H new ATOM 0 HG13 VAL A 123 15.565 0.632 0.555 1.00 65.51 H new ATOM 0 HG21 VAL A 123 12.886 -0.160 1.931 1.00 22.02 H new ATOM 0 HG22 VAL A 123 13.764 -1.277 0.860 1.00 22.02 H new ATOM 0 HG23 VAL A 123 13.348 -1.776 2.516 1.00 22.02 H new ATOM 1966 N GLN A 124 17.680 -0.455 3.992 1.00 63.41 N ATOM 1967 CA GLN A 124 18.886 0.239 4.490 1.00 62.32 C ATOM 1968 C GLN A 124 20.099 -0.721 4.603 1.00 4.22 C ATOM 1969 O GLN A 124 21.243 -0.266 4.670 1.00 32.45 O ATOM 1970 CB GLN A 124 18.578 0.944 5.839 1.00 71.20 C ATOM 1971 CG GLN A 124 18.073 0.017 6.956 1.00 30.10 C ATOM 1972 CD GLN A 124 17.666 0.757 8.230 1.00 42.02 C ATOM 1973 OE1 GLN A 124 18.227 1.800 8.571 1.00 72.02 O ATOM 1974 NE2 GLN A 124 16.684 0.230 8.943 1.00 22.35 N ATOM 0 H GLN A 124 16.992 -0.654 4.719 1.00 63.41 H new ATOM 0 HA GLN A 124 19.165 1.002 3.763 1.00 62.32 H new ATOM 0 HB2 GLN A 124 19.482 1.445 6.184 1.00 71.20 H new ATOM 0 HB3 GLN A 124 17.831 1.718 5.665 1.00 71.20 H new ATOM 0 HG2 GLN A 124 17.219 -0.550 6.587 1.00 30.10 H new ATOM 0 HG3 GLN A 124 18.854 -0.704 7.199 1.00 30.10 H new ATOM 0 HE21 GLN A 124 16.238 -0.635 8.636 1.00 22.35 H new ATOM 0 HE22 GLN A 124 16.373 0.688 9.799 1.00 22.35 H new ATOM 1983 N ASP A 125 19.837 -2.044 4.626 1.00 64.42 N ATOM 1984 CA ASP A 125 20.902 -3.075 4.505 1.00 4.10 C ATOM 1985 C ASP A 125 21.292 -3.293 3.027 1.00 1.14 C ATOM 1986 O ASP A 125 22.425 -3.686 2.739 1.00 72.02 O ATOM 1987 CB ASP A 125 20.437 -4.424 5.143 1.00 35.45 C ATOM 1988 CG ASP A 125 20.581 -4.463 6.678 1.00 53.24 C ATOM 1989 OD1 ASP A 125 19.964 -3.626 7.366 1.00 32.30 O ATOM 1990 OD2 ASP A 125 21.335 -5.321 7.203 1.00 13.02 O ATOM 0 H ASP A 125 18.898 -2.429 4.727 1.00 64.42 H new ATOM 0 HA ASP A 125 21.779 -2.717 5.044 1.00 4.10 H new ATOM 0 HB2 ASP A 125 19.394 -4.600 4.880 1.00 35.45 H new ATOM 0 HB3 ASP A 125 21.017 -5.240 4.711 1.00 35.45 H new ATOM 1995 N GLY A 126 20.353 -2.999 2.104 1.00 44.55 N ATOM 1996 CA GLY A 126 20.580 -3.158 0.664 1.00 63.35 C ATOM 1997 C GLY A 126 20.566 -4.617 0.196 1.00 4.54 C ATOM 1998 O GLY A 126 21.399 -5.015 -0.632 1.00 4.24 O ATOM 0 H GLY A 126 19.425 -2.648 2.340 1.00 44.55 H new ATOM 0 HA2 GLY A 126 19.814 -2.604 0.121 1.00 63.35 H new ATOM 0 HA3 GLY A 126 21.540 -2.712 0.405 1.00 63.35 H new ATOM 2002 N HIS A 127 19.616 -5.411 0.719 1.00 14.52 N ATOM 2003 CA HIS A 127 19.425 -6.820 0.314 1.00 13.42 C ATOM 2004 C HIS A 127 18.057 -7.305 0.795 1.00 65.10 C ATOM 2005 O HIS A 127 17.857 -7.424 2.001 1.00 55.24 O ATOM 2006 CB HIS A 127 20.543 -7.746 0.898 1.00 3.41 C ATOM 2007 CG HIS A 127 20.390 -9.228 0.579 1.00 65.22 C ATOM 2008 ND1 HIS A 127 20.832 -9.795 -0.597 1.00 51.24 N ATOM 2009 CD2 HIS A 127 19.854 -10.256 1.301 1.00 33.30 C ATOM 2010 CE1 HIS A 127 20.580 -11.092 -0.587 1.00 2.43 C ATOM 2011 NE2 HIS A 127 19.990 -11.395 0.549 1.00 54.33 N ATOM 0 H HIS A 127 18.959 -5.098 1.433 1.00 14.52 H new ATOM 0 HA HIS A 127 19.483 -6.870 -0.773 1.00 13.42 H new ATOM 0 HB2 HIS A 127 21.507 -7.407 0.520 1.00 3.41 H new ATOM 0 HB3 HIS A 127 20.564 -7.624 1.981 1.00 3.41 H new ATOM 0 HD2 HIS A 127 19.406 -10.185 2.281 1.00 33.30 H new ATOM 0 HE1 HIS A 127 20.818 -11.787 -1.379 1.00 2.43 H new ATOM 0 HE2 HIS A 127 19.683 -12.327 0.826 1.00 54.33 H new ATOM 2020 N ASP A 128 17.134 -7.604 -0.140 1.00 45.20 N ATOM 2021 CA ASP A 128 15.803 -8.143 0.201 1.00 5.42 C ATOM 2022 C ASP A 128 15.930 -9.580 0.728 1.00 51.50 C ATOM 2023 O ASP A 128 16.875 -10.293 0.384 1.00 23.31 O ATOM 2024 CB ASP A 128 14.830 -8.086 -1.006 1.00 35.32 C ATOM 2025 CG ASP A 128 15.128 -9.132 -2.093 1.00 25.14 C ATOM 2026 OD1 ASP A 128 16.051 -8.911 -2.909 1.00 61.43 O ATOM 2027 OD2 ASP A 128 14.455 -10.195 -2.117 1.00 14.41 O ATOM 0 H ASP A 128 17.287 -7.481 -1.141 1.00 45.20 H new ATOM 0 HA ASP A 128 15.382 -7.514 0.986 1.00 5.42 H new ATOM 0 HB2 ASP A 128 13.811 -8.229 -0.646 1.00 35.32 H new ATOM 0 HB3 ASP A 128 14.874 -7.091 -1.450 1.00 35.32 H new ATOM 2032 N HIS A 129 14.967 -10.003 1.564 1.00 13.02 N ATOM 2033 CA HIS A 129 15.007 -11.325 2.241 1.00 5.05 C ATOM 2034 C HIS A 129 13.886 -12.270 1.752 1.00 2.31 C ATOM 2035 O HIS A 129 13.983 -13.488 1.947 1.00 54.13 O ATOM 2036 CB HIS A 129 14.929 -11.134 3.787 1.00 2.12 C ATOM 2037 CG HIS A 129 16.203 -10.622 4.421 1.00 64.41 C ATOM 2038 ND1 HIS A 129 16.872 -11.299 5.418 1.00 33.20 N ATOM 2039 CD2 HIS A 129 16.917 -9.492 4.209 1.00 33.24 C ATOM 2040 CE1 HIS A 129 17.938 -10.615 5.775 1.00 73.33 C ATOM 2041 NE2 HIS A 129 17.988 -9.512 5.059 1.00 3.24 N ATOM 0 H HIS A 129 14.142 -9.449 1.793 1.00 13.02 H new ATOM 0 HA HIS A 129 15.954 -11.798 1.982 1.00 5.05 H new ATOM 0 HB2 HIS A 129 14.120 -10.439 4.014 1.00 2.12 H new ATOM 0 HB3 HIS A 129 14.668 -12.088 4.245 1.00 2.12 H new ATOM 0 HD2 HIS A 129 16.683 -8.715 3.497 1.00 33.24 H new ATOM 0 HE1 HIS A 129 18.652 -10.910 6.529 1.00 73.33 H new ATOM 0 HE2 HIS A 129 18.707 -8.791 5.127 1.00 3.24 H new ATOM 2113 N ASP A 134 15.196 -5.293 -5.868 1.00 22.21 N ATOM 2114 CA ASP A 134 16.623 -4.908 -5.981 1.00 64.24 C ATOM 2115 C ASP A 134 16.962 -3.743 -4.998 1.00 25.34 C ATOM 2116 O ASP A 134 16.164 -2.805 -4.889 1.00 64.21 O ATOM 2117 CB ASP A 134 16.964 -4.471 -7.442 1.00 62.20 C ATOM 2118 CG ASP A 134 18.478 -4.422 -7.726 1.00 53.12 C ATOM 2119 OD1 ASP A 134 19.152 -3.451 -7.311 1.00 1.43 O ATOM 2120 OD2 ASP A 134 19.003 -5.358 -8.372 1.00 40.34 O ATOM 0 HA ASP A 134 17.223 -5.780 -5.720 1.00 64.24 H new ATOM 0 HB2 ASP A 134 16.493 -5.163 -8.140 1.00 62.20 H new ATOM 0 HB3 ASP A 134 16.534 -3.487 -7.629 1.00 62.20 H new ATOM 2125 N PRO A 135 18.136 -3.803 -4.267 1.00 73.42 N ATOM 2126 CA PRO A 135 18.626 -2.727 -3.349 1.00 43.40 C ATOM 2127 C PRO A 135 18.406 -1.277 -3.849 1.00 43.13 C ATOM 2128 O PRO A 135 17.894 -0.433 -3.103 1.00 31.22 O ATOM 2129 CB PRO A 135 20.149 -3.053 -3.199 1.00 30.11 C ATOM 2130 CG PRO A 135 20.408 -4.263 -4.068 1.00 73.34 C ATOM 2131 CD PRO A 135 19.077 -4.952 -4.219 1.00 61.11 C ATOM 0 HA PRO A 135 18.065 -2.737 -2.414 1.00 43.40 H new ATOM 0 HB2 PRO A 135 20.761 -2.208 -3.515 1.00 30.11 H new ATOM 0 HB3 PRO A 135 20.403 -3.259 -2.159 1.00 30.11 H new ATOM 0 HG2 PRO A 135 20.809 -3.969 -5.038 1.00 73.34 H new ATOM 0 HG3 PRO A 135 21.141 -4.925 -3.608 1.00 73.34 H new ATOM 0 HD2 PRO A 135 19.031 -5.555 -5.126 1.00 61.11 H new ATOM 0 HD3 PRO A 135 18.865 -5.618 -3.382 1.00 61.11 H new ATOM 2139 N LYS A 136 18.757 -1.009 -5.119 1.00 40.13 N ATOM 2140 CA LYS A 136 18.741 0.367 -5.684 1.00 30.41 C ATOM 2141 C LYS A 136 17.301 0.918 -5.837 1.00 74.50 C ATOM 2142 O LYS A 136 17.100 2.135 -5.888 1.00 5.15 O ATOM 2143 CB LYS A 136 19.464 0.398 -7.058 1.00 34.15 C ATOM 2144 CG LYS A 136 18.713 -0.352 -8.173 1.00 1.15 C ATOM 2145 CD LYS A 136 19.454 -0.393 -9.522 1.00 11.11 C ATOM 2146 CE LYS A 136 20.789 -1.141 -9.471 1.00 14.24 C ATOM 2147 NZ LYS A 136 21.552 -0.986 -10.744 1.00 73.01 N ATOM 0 H LYS A 136 19.057 -1.724 -5.781 1.00 40.13 H new ATOM 0 HA LYS A 136 19.270 1.008 -4.979 1.00 30.41 H new ATOM 0 HB2 LYS A 136 19.603 1.436 -7.361 1.00 34.15 H new ATOM 0 HB3 LYS A 136 20.457 -0.037 -6.945 1.00 34.15 H new ATOM 0 HG2 LYS A 136 18.525 -1.374 -7.844 1.00 1.15 H new ATOM 0 HG3 LYS A 136 17.741 0.119 -8.320 1.00 1.15 H new ATOM 0 HD2 LYS A 136 18.811 -0.866 -10.265 1.00 11.11 H new ATOM 0 HD3 LYS A 136 19.633 0.628 -9.859 1.00 11.11 H new ATOM 0 HE2 LYS A 136 21.386 -0.766 -8.640 1.00 14.24 H new ATOM 0 HE3 LYS A 136 20.607 -2.199 -9.281 1.00 14.24 H new ATOM 0 HZ1 LYS A 136 22.451 -1.505 -10.675 1.00 73.01 H new ATOM 0 HZ2 LYS A 136 20.992 -1.367 -11.533 1.00 73.01 H new ATOM 0 HZ3 LYS A 136 21.746 0.022 -10.912 1.00 73.01 H new ATOM 2161 N TYR A 137 16.313 0.011 -5.933 1.00 51.13 N ATOM 2162 CA TYR A 137 14.889 0.375 -6.086 1.00 5.32 C ATOM 2163 C TYR A 137 14.134 0.265 -4.749 1.00 55.44 C ATOM 2164 O TYR A 137 12.982 0.699 -4.655 1.00 73.13 O ATOM 2165 CB TYR A 137 14.206 -0.517 -7.158 1.00 44.12 C ATOM 2166 CG TYR A 137 14.850 -0.453 -8.544 1.00 1.12 C ATOM 2167 CD1 TYR A 137 14.856 0.731 -9.281 1.00 45.34 C ATOM 2168 CD2 TYR A 137 15.466 -1.571 -9.108 1.00 35.41 C ATOM 2169 CE1 TYR A 137 15.446 0.795 -10.528 1.00 45.24 C ATOM 2170 CE2 TYR A 137 16.057 -1.511 -10.352 1.00 23.21 C ATOM 2171 CZ TYR A 137 16.044 -0.329 -11.059 1.00 32.42 C ATOM 2172 OH TYR A 137 16.634 -0.273 -12.302 1.00 51.15 O ATOM 0 H TYR A 137 16.477 -0.995 -5.907 1.00 51.13 H new ATOM 0 HA TYR A 137 14.850 1.414 -6.414 1.00 5.32 H new ATOM 0 HB2 TYR A 137 14.219 -1.551 -6.813 1.00 44.12 H new ATOM 0 HB3 TYR A 137 13.160 -0.223 -7.244 1.00 44.12 H new ATOM 0 HD1 TYR A 137 14.391 1.614 -8.869 1.00 45.34 H new ATOM 0 HD2 TYR A 137 15.480 -2.501 -8.559 1.00 35.41 H new ATOM 0 HE1 TYR A 137 15.439 1.720 -11.085 1.00 45.24 H new ATOM 0 HE2 TYR A 137 16.529 -2.388 -10.771 1.00 23.21 H new ATOM 0 HH TYR A 137 17.009 -1.150 -12.526 1.00 51.15 H new ATOM 2182 N LEU A 138 14.767 -0.361 -3.740 1.00 43.41 N ATOM 2183 CA LEU A 138 14.210 -0.467 -2.376 1.00 23.12 C ATOM 2184 C LEU A 138 13.986 0.949 -1.783 1.00 51.33 C ATOM 2185 O LEU A 138 14.944 1.702 -1.571 1.00 12.00 O ATOM 2186 CB LEU A 138 15.149 -1.335 -1.475 1.00 33.41 C ATOM 2187 CG LEU A 138 15.077 -2.888 -1.678 1.00 33.43 C ATOM 2188 CD1 LEU A 138 16.100 -3.635 -0.782 1.00 32.33 C ATOM 2189 CD2 LEU A 138 13.647 -3.410 -1.438 1.00 1.24 C ATOM 0 H LEU A 138 15.678 -0.808 -3.846 1.00 43.41 H new ATOM 0 HA LEU A 138 13.242 -0.966 -2.416 1.00 23.12 H new ATOM 0 HB2 LEU A 138 16.177 -1.016 -1.647 1.00 33.41 H new ATOM 0 HB3 LEU A 138 14.918 -1.117 -0.432 1.00 33.41 H new ATOM 0 HG LEU A 138 15.345 -3.093 -2.715 1.00 33.43 H new ATOM 0 HD11 LEU A 138 16.018 -4.708 -0.953 1.00 32.33 H new ATOM 0 HD12 LEU A 138 17.109 -3.305 -1.029 1.00 32.33 H new ATOM 0 HD13 LEU A 138 15.893 -3.417 0.266 1.00 32.33 H new ATOM 0 HD21 LEU A 138 13.624 -4.490 -1.585 1.00 1.24 H new ATOM 0 HD22 LEU A 138 13.341 -3.176 -0.418 1.00 1.24 H new ATOM 0 HD23 LEU A 138 12.963 -2.934 -2.140 1.00 1.24 H new ATOM 2201 N HIS A 139 12.703 1.304 -1.557 1.00 42.05 N ATOM 2202 CA HIS A 139 12.283 2.661 -1.140 1.00 73.33 C ATOM 2203 C HIS A 139 11.522 2.604 0.193 1.00 71.31 C ATOM 2204 O HIS A 139 10.491 1.940 0.285 1.00 54.51 O ATOM 2205 CB HIS A 139 11.378 3.295 -2.238 1.00 41.53 C ATOM 2206 CG HIS A 139 10.790 4.647 -1.883 1.00 32.11 C ATOM 2207 ND1 HIS A 139 9.433 4.864 -1.710 1.00 34.22 N ATOM 2208 CD2 HIS A 139 11.382 5.851 -1.688 1.00 53.22 C ATOM 2209 CE1 HIS A 139 9.225 6.134 -1.418 1.00 23.23 C ATOM 2210 NE2 HIS A 139 10.389 6.756 -1.397 1.00 43.54 N ATOM 0 H HIS A 139 11.924 0.654 -1.659 1.00 42.05 H new ATOM 0 HA HIS A 139 13.174 3.275 -1.007 1.00 73.33 H new ATOM 0 HB2 HIS A 139 11.961 3.398 -3.153 1.00 41.53 H new ATOM 0 HB3 HIS A 139 10.562 2.607 -2.456 1.00 41.53 H new ATOM 0 HD1 HIS A 139 8.707 4.153 -1.795 1.00 34.22 H new ATOM 0 HD2 HIS A 139 12.440 6.061 -1.750 1.00 53.22 H new ATOM 0 HE1 HIS A 139 8.264 6.588 -1.228 1.00 23.23 H new ATOM 2219 N GLN A 140 12.030 3.316 1.212 1.00 11.31 N ATOM 2220 CA GLN A 140 11.322 3.498 2.496 1.00 44.11 C ATOM 2221 C GLN A 140 10.239 4.572 2.333 1.00 13.13 C ATOM 2222 O GLN A 140 10.371 5.475 1.498 1.00 54.42 O ATOM 2223 CB GLN A 140 12.302 3.899 3.636 1.00 54.31 C ATOM 2224 CG GLN A 140 13.500 2.945 3.794 1.00 61.21 C ATOM 2225 CD GLN A 140 14.509 3.337 4.876 1.00 63.04 C ATOM 2226 OE1 GLN A 140 14.691 4.512 5.195 1.00 12.53 O ATOM 2227 NE2 GLN A 140 15.197 2.347 5.443 1.00 4.13 N ATOM 0 H GLN A 140 12.937 3.780 1.173 1.00 11.31 H new ATOM 0 HA GLN A 140 10.864 2.548 2.772 1.00 44.11 H new ATOM 0 HB2 GLN A 140 12.674 4.905 3.444 1.00 54.31 H new ATOM 0 HB3 GLN A 140 11.753 3.936 4.577 1.00 54.31 H new ATOM 0 HG2 GLN A 140 13.122 1.947 4.017 1.00 61.21 H new ATOM 0 HG3 GLN A 140 14.022 2.882 2.839 1.00 61.21 H new ATOM 0 HE21 GLN A 140 15.028 1.381 5.161 1.00 4.13 H new ATOM 0 HE22 GLN A 140 15.893 2.555 6.159 1.00 4.13 H new ATOM 2236 N PHE A 141 9.192 4.478 3.158 1.00 3.23 N ATOM 2237 CA PHE A 141 8.024 5.357 3.064 1.00 40.14 C ATOM 2238 C PHE A 141 8.332 6.730 3.678 1.00 51.52 C ATOM 2239 O PHE A 141 8.251 6.925 4.899 1.00 33.32 O ATOM 2240 CB PHE A 141 6.797 4.687 3.723 1.00 14.10 C ATOM 2241 CG PHE A 141 6.460 3.338 3.102 1.00 63.24 C ATOM 2242 CD1 PHE A 141 5.908 3.262 1.829 1.00 44.14 C ATOM 2243 CD2 PHE A 141 6.719 2.149 3.779 1.00 15.43 C ATOM 2244 CE1 PHE A 141 5.627 2.041 1.257 1.00 32.04 C ATOM 2245 CE2 PHE A 141 6.431 0.932 3.213 1.00 50.35 C ATOM 2246 CZ PHE A 141 5.887 0.876 1.947 1.00 42.31 C ATOM 0 H PHE A 141 9.131 3.791 3.909 1.00 3.23 H new ATOM 0 HA PHE A 141 7.783 5.521 2.014 1.00 40.14 H new ATOM 0 HB2 PHE A 141 6.989 4.554 4.788 1.00 14.10 H new ATOM 0 HB3 PHE A 141 5.935 5.349 3.634 1.00 14.10 H new ATOM 0 HD1 PHE A 141 5.697 4.169 1.283 1.00 44.14 H new ATOM 0 HD2 PHE A 141 7.154 2.185 4.767 1.00 15.43 H new ATOM 0 HE1 PHE A 141 5.202 1.996 0.265 1.00 32.04 H new ATOM 0 HE2 PHE A 141 6.630 0.021 3.758 1.00 50.35 H new ATOM 0 HZ PHE A 141 5.665 -0.080 1.496 1.00 42.31 H new ATOM 2256 N GLU A 142 8.733 7.657 2.799 1.00 21.41 N ATOM 2257 CA GLU A 142 9.089 9.033 3.159 1.00 41.13 C ATOM 2258 C GLU A 142 7.817 9.884 3.286 1.00 32.51 C ATOM 2259 O GLU A 142 7.257 10.333 2.274 1.00 73.32 O ATOM 2260 CB GLU A 142 10.043 9.625 2.089 1.00 40.40 C ATOM 2261 CG GLU A 142 11.354 8.839 1.934 1.00 64.22 C ATOM 2262 CD GLU A 142 12.270 9.419 0.853 1.00 33.30 C ATOM 2263 OE1 GLU A 142 12.955 10.441 1.123 1.00 32.24 O ATOM 2264 OE2 GLU A 142 12.294 8.874 -0.277 1.00 33.40 O ATOM 0 H GLU A 142 8.820 7.467 1.801 1.00 21.41 H new ATOM 0 HA GLU A 142 9.603 9.036 4.120 1.00 41.13 H new ATOM 0 HB2 GLU A 142 9.528 9.650 1.129 1.00 40.40 H new ATOM 0 HB3 GLU A 142 10.276 10.657 2.353 1.00 40.40 H new ATOM 0 HG2 GLU A 142 11.883 8.833 2.887 1.00 64.22 H new ATOM 0 HG3 GLU A 142 11.124 7.802 1.690 1.00 64.22 H new ATOM 2271 N GLY A 143 7.338 10.055 4.523 1.00 3.41 N ATOM 2272 CA GLY A 143 6.138 10.841 4.792 1.00 14.13 C ATOM 2273 C GLY A 143 5.670 10.678 6.228 1.00 1.51 C ATOM 2274 O GLY A 143 5.775 9.584 6.789 1.00 63.42 O ATOM 0 H GLY A 143 7.769 9.655 5.356 1.00 3.41 H new ATOM 0 HA2 GLY A 143 6.340 11.893 4.592 1.00 14.13 H new ATOM 0 HA3 GLY A 143 5.342 10.535 4.113 1.00 14.13 H new ATOM 2278 N GLU A 144 5.150 11.771 6.817 1.00 65.13 N ATOM 2279 CA GLU A 144 4.613 11.786 8.196 1.00 14.02 C ATOM 2280 C GLU A 144 3.362 10.890 8.320 1.00 72.11 C ATOM 2281 O GLU A 144 3.014 10.447 9.417 1.00 11.24 O ATOM 2282 CB GLU A 144 4.268 13.248 8.613 1.00 64.33 C ATOM 2283 CG GLU A 144 5.462 14.228 8.597 1.00 4.35 C ATOM 2284 CD GLU A 144 5.065 15.682 8.918 1.00 32.13 C ATOM 2285 OE1 GLU A 144 4.952 16.037 10.110 1.00 23.01 O ATOM 2286 OE2 GLU A 144 4.853 16.478 7.975 1.00 54.42 O ATOM 0 H GLU A 144 5.089 12.675 6.349 1.00 65.13 H new ATOM 0 HA GLU A 144 5.378 11.389 8.864 1.00 14.02 H new ATOM 0 HB2 GLU A 144 3.496 13.628 7.944 1.00 64.33 H new ATOM 0 HB3 GLU A 144 3.842 13.233 9.616 1.00 64.33 H new ATOM 0 HG2 GLU A 144 6.206 13.894 9.320 1.00 4.35 H new ATOM 0 HG3 GLU A 144 5.935 14.197 7.616 1.00 4.35 H new ATOM 2293 N THR A 145 2.698 10.623 7.177 1.00 73.34 N ATOM 2294 CA THR A 145 1.452 9.844 7.126 1.00 3.53 C ATOM 2295 C THR A 145 1.543 8.693 6.093 1.00 11.21 C ATOM 2296 O THR A 145 2.028 8.884 4.969 1.00 60.00 O ATOM 2297 CB THR A 145 0.248 10.783 6.781 1.00 34.44 C ATOM 2298 OG1 THR A 145 0.172 11.838 7.750 1.00 42.42 O ATOM 2299 CG2 THR A 145 -1.099 10.043 6.743 1.00 41.34 C ATOM 0 H THR A 145 3.015 10.944 6.262 1.00 73.34 H new ATOM 0 HA THR A 145 1.294 9.398 8.108 1.00 3.53 H new ATOM 0 HB THR A 145 0.431 11.179 5.782 1.00 34.44 H new ATOM 0 HG1 THR A 145 -0.581 12.427 7.534 1.00 42.42 H new ATOM 0 HG21 THR A 145 -1.894 10.747 6.499 1.00 41.34 H new ATOM 0 HG22 THR A 145 -1.063 9.260 5.986 1.00 41.34 H new ATOM 0 HG23 THR A 145 -1.296 9.596 7.718 1.00 41.34 H new ATOM 2307 N PHE A 146 1.087 7.497 6.518 1.00 23.31 N ATOM 2308 CA PHE A 146 0.867 6.323 5.652 1.00 61.44 C ATOM 2309 C PHE A 146 -0.572 6.344 5.097 1.00 65.53 C ATOM 2310 O PHE A 146 -1.510 6.747 5.797 1.00 34.45 O ATOM 2311 CB PHE A 146 1.088 5.004 6.451 1.00 44.44 C ATOM 2312 CG PHE A 146 2.550 4.649 6.734 1.00 0.04 C ATOM 2313 CD1 PHE A 146 3.280 5.290 7.740 1.00 43.41 C ATOM 2314 CD2 PHE A 146 3.193 3.661 5.989 1.00 63.22 C ATOM 2315 CE1 PHE A 146 4.601 4.949 7.986 1.00 15.24 C ATOM 2316 CE2 PHE A 146 4.506 3.323 6.237 1.00 33.24 C ATOM 2317 CZ PHE A 146 5.214 3.961 7.230 1.00 72.22 C ATOM 0 H PHE A 146 0.857 7.318 7.495 1.00 23.31 H new ATOM 0 HA PHE A 146 1.581 6.364 4.829 1.00 61.44 H new ATOM 0 HB2 PHE A 146 0.559 5.081 7.401 1.00 44.44 H new ATOM 0 HB3 PHE A 146 0.632 4.183 5.898 1.00 44.44 H new ATOM 0 HD1 PHE A 146 2.809 6.060 8.333 1.00 43.41 H new ATOM 0 HD2 PHE A 146 2.653 3.152 5.204 1.00 63.22 H new ATOM 0 HE1 PHE A 146 5.153 5.453 8.766 1.00 15.24 H new ATOM 0 HE2 PHE A 146 4.982 2.553 5.648 1.00 33.24 H new ATOM 0 HZ PHE A 146 6.243 3.693 7.420 1.00 72.22 H new ATOM 2327 N TYR A 147 -0.729 5.906 3.839 1.00 20.45 N ATOM 2328 CA TYR A 147 -2.035 5.766 3.170 1.00 24.10 C ATOM 2329 C TYR A 147 -2.233 4.306 2.735 1.00 70.24 C ATOM 2330 O TYR A 147 -1.479 3.794 1.902 1.00 4.25 O ATOM 2331 CB TYR A 147 -2.141 6.725 1.945 1.00 55.41 C ATOM 2332 CG TYR A 147 -2.296 8.205 2.322 1.00 75.51 C ATOM 2333 CD1 TYR A 147 -1.208 8.965 2.757 1.00 3.02 C ATOM 2334 CD2 TYR A 147 -3.538 8.844 2.247 1.00 31.03 C ATOM 2335 CE1 TYR A 147 -1.353 10.296 3.098 1.00 61.51 C ATOM 2336 CE2 TYR A 147 -3.683 10.178 2.585 1.00 23.14 C ATOM 2337 CZ TYR A 147 -2.589 10.900 3.012 1.00 0.33 C ATOM 2338 OH TYR A 147 -2.729 12.234 3.351 1.00 44.52 O ATOM 0 H TYR A 147 0.057 5.635 3.248 1.00 20.45 H new ATOM 0 HA TYR A 147 -2.822 6.041 3.872 1.00 24.10 H new ATOM 0 HB2 TYR A 147 -1.250 6.609 1.328 1.00 55.41 H new ATOM 0 HB3 TYR A 147 -2.993 6.425 1.334 1.00 55.41 H new ATOM 0 HD1 TYR A 147 -0.234 8.503 2.828 1.00 3.02 H new ATOM 0 HD2 TYR A 147 -4.402 8.285 1.919 1.00 31.03 H new ATOM 0 HE1 TYR A 147 -0.497 10.864 3.432 1.00 61.51 H new ATOM 0 HE2 TYR A 147 -4.651 10.652 2.514 1.00 23.14 H new ATOM 0 HH TYR A 147 -1.875 12.578 3.686 1.00 44.52 H new ATOM 2348 N ILE A 148 -3.234 3.640 3.342 1.00 62.23 N ATOM 2349 CA ILE A 148 -3.633 2.264 3.001 1.00 11.35 C ATOM 2350 C ILE A 148 -4.882 2.311 2.088 1.00 62.31 C ATOM 2351 O ILE A 148 -5.962 2.724 2.517 1.00 21.35 O ATOM 2352 CB ILE A 148 -3.896 1.398 4.301 1.00 63.31 C ATOM 2353 CG1 ILE A 148 -2.578 1.252 5.140 1.00 62.34 C ATOM 2354 CG2 ILE A 148 -4.479 0.011 3.946 1.00 31.03 C ATOM 2355 CD1 ILE A 148 -2.686 0.365 6.376 1.00 33.43 C ATOM 0 H ILE A 148 -3.793 4.048 4.091 1.00 62.23 H new ATOM 0 HA ILE A 148 -2.818 1.779 2.464 1.00 11.35 H new ATOM 0 HB ILE A 148 -4.636 1.920 4.908 1.00 63.31 H new ATOM 0 HG12 ILE A 148 -1.798 0.851 4.493 1.00 62.34 H new ATOM 0 HG13 ILE A 148 -2.254 2.245 5.453 1.00 62.34 H new ATOM 0 HG21 ILE A 148 -4.648 -0.558 4.860 1.00 31.03 H new ATOM 0 HG22 ILE A 148 -5.424 0.138 3.418 1.00 31.03 H new ATOM 0 HG23 ILE A 148 -3.777 -0.527 3.309 1.00 31.03 H new ATOM 0 HD11 ILE A 148 -1.722 0.331 6.884 1.00 33.43 H new ATOM 0 HD12 ILE A 148 -3.438 0.772 7.051 1.00 33.43 H new ATOM 0 HD13 ILE A 148 -2.975 -0.643 6.077 1.00 33.43 H new ATOM 2367 N ILE A 149 -4.709 1.908 0.817 1.00 51.14 N ATOM 2368 CA ILE A 149 -5.757 1.996 -0.216 1.00 21.03 C ATOM 2369 C ILE A 149 -6.382 0.608 -0.431 1.00 73.53 C ATOM 2370 O ILE A 149 -5.712 -0.299 -0.930 1.00 23.22 O ATOM 2371 CB ILE A 149 -5.165 2.529 -1.583 1.00 12.34 C ATOM 2372 CG1 ILE A 149 -4.252 3.779 -1.354 1.00 0.12 C ATOM 2373 CG2 ILE A 149 -6.294 2.839 -2.602 1.00 2.34 C ATOM 2374 CD1 ILE A 149 -4.915 4.960 -0.658 1.00 33.24 C ATOM 0 H ILE A 149 -3.834 1.510 0.475 1.00 51.14 H new ATOM 0 HA ILE A 149 -6.518 2.698 0.124 1.00 21.03 H new ATOM 0 HB ILE A 149 -4.546 1.738 -2.006 1.00 12.34 H new ATOM 0 HG12 ILE A 149 -3.388 3.472 -0.765 1.00 0.12 H new ATOM 0 HG13 ILE A 149 -3.877 4.114 -2.321 1.00 0.12 H new ATOM 0 HG21 ILE A 149 -5.856 3.203 -3.531 1.00 2.34 H new ATOM 0 HG22 ILE A 149 -6.864 1.931 -2.801 1.00 2.34 H new ATOM 0 HG23 ILE A 149 -6.957 3.600 -2.190 1.00 2.34 H new ATOM 0 HD11 ILE A 149 -4.194 5.770 -0.550 1.00 33.24 H new ATOM 0 HD12 ILE A 149 -5.761 5.304 -1.252 1.00 33.24 H new ATOM 0 HD13 ILE A 149 -5.265 4.652 0.327 1.00 33.24 H new ATOM 2386 N GLU A 150 -7.647 0.452 -0.034 1.00 22.23 N ATOM 2387 CA GLU A 150 -8.411 -0.790 -0.217 1.00 24.11 C ATOM 2388 C GLU A 150 -8.621 -1.054 -1.724 1.00 2.21 C ATOM 2389 O GLU A 150 -9.336 -0.312 -2.405 1.00 3.40 O ATOM 2390 CB GLU A 150 -9.749 -0.670 0.570 1.00 22.12 C ATOM 2391 CG GLU A 150 -10.610 -1.959 0.679 1.00 1.41 C ATOM 2392 CD GLU A 150 -11.758 -2.042 -0.345 1.00 51.32 C ATOM 2393 OE1 GLU A 150 -11.540 -2.529 -1.474 1.00 72.31 O ATOM 2394 OE2 GLU A 150 -12.893 -1.629 -0.010 1.00 75.14 O ATOM 0 H GLU A 150 -8.178 1.190 0.429 1.00 22.23 H new ATOM 0 HA GLU A 150 -7.868 -1.648 0.178 1.00 24.11 H new ATOM 0 HB2 GLU A 150 -9.521 -0.326 1.579 1.00 22.12 H new ATOM 0 HB3 GLU A 150 -10.354 0.105 0.098 1.00 22.12 H new ATOM 0 HG2 GLU A 150 -9.962 -2.826 0.552 1.00 1.41 H new ATOM 0 HG3 GLU A 150 -11.029 -2.018 1.683 1.00 1.41 H new ATOM 2401 N GLN A 151 -7.905 -2.068 -2.235 1.00 23.00 N ATOM 2402 CA GLN A 151 -7.955 -2.505 -3.646 1.00 73.10 C ATOM 2403 C GLN A 151 -8.560 -3.921 -3.738 1.00 44.22 C ATOM 2404 O GLN A 151 -7.875 -4.913 -3.496 1.00 71.53 O ATOM 2405 CB GLN A 151 -6.513 -2.479 -4.266 1.00 3.02 C ATOM 2406 CG GLN A 151 -5.868 -1.079 -4.355 1.00 13.33 C ATOM 2407 CD GLN A 151 -6.594 -0.131 -5.319 1.00 64.03 C ATOM 2408 OE1 GLN A 151 -6.259 -0.051 -6.505 1.00 23.04 O ATOM 2409 NE2 GLN A 151 -7.611 0.568 -4.834 1.00 25.12 N ATOM 0 H GLN A 151 -7.261 -2.621 -1.670 1.00 23.00 H new ATOM 0 HA GLN A 151 -8.588 -1.821 -4.211 1.00 73.10 H new ATOM 0 HB2 GLN A 151 -5.866 -3.124 -3.671 1.00 3.02 H new ATOM 0 HB3 GLN A 151 -6.556 -2.907 -5.267 1.00 3.02 H new ATOM 0 HG2 GLN A 151 -5.852 -0.631 -3.361 1.00 13.33 H new ATOM 0 HG3 GLN A 151 -4.831 -1.185 -4.674 1.00 13.33 H new ATOM 0 HE21 GLN A 151 -7.866 0.482 -3.850 1.00 25.12 H new ATOM 0 HE22 GLN A 151 -8.139 1.191 -5.445 1.00 25.12 H new ATOM 2418 N ARG A 152 -9.844 -3.997 -4.099 1.00 53.54 N ATOM 2419 CA ARG A 152 -10.595 -5.264 -4.245 1.00 43.45 C ATOM 2420 C ARG A 152 -10.686 -5.649 -5.738 1.00 72.31 C ATOM 2421 O ARG A 152 -10.553 -4.776 -6.610 1.00 51.24 O ATOM 2422 CB ARG A 152 -11.991 -5.077 -3.623 1.00 10.42 C ATOM 2423 CG ARG A 152 -12.874 -6.335 -3.575 1.00 33.34 C ATOM 2424 CD ARG A 152 -14.159 -6.094 -2.781 1.00 63.30 C ATOM 2425 NE ARG A 152 -14.942 -4.947 -3.309 1.00 15.42 N ATOM 2426 CZ ARG A 152 -15.057 -3.743 -2.713 1.00 2.41 C ATOM 2427 NH1 ARG A 152 -14.449 -3.503 -1.550 1.00 74.23 N ATOM 2428 NH2 ARG A 152 -15.743 -2.774 -3.310 1.00 61.13 N ATOM 0 H ARG A 152 -10.407 -3.171 -4.303 1.00 53.54 H new ATOM 0 HA ARG A 152 -10.084 -6.076 -3.728 1.00 43.45 H new ATOM 0 HB2 ARG A 152 -11.868 -4.703 -2.607 1.00 10.42 H new ATOM 0 HB3 ARG A 152 -12.519 -4.306 -4.185 1.00 10.42 H new ATOM 0 HG2 ARG A 152 -13.126 -6.642 -4.590 1.00 33.34 H new ATOM 0 HG3 ARG A 152 -12.315 -7.155 -3.123 1.00 33.34 H new ATOM 0 HD2 ARG A 152 -14.774 -6.994 -2.808 1.00 63.30 H new ATOM 0 HD3 ARG A 152 -13.909 -5.910 -1.736 1.00 63.30 H new ATOM 0 HE ARG A 152 -15.432 -5.081 -4.193 1.00 15.42 H new ATOM 0 HH11 ARG A 152 -13.892 -4.233 -1.105 1.00 74.23 H new ATOM 0 HH12 ARG A 152 -14.541 -2.590 -1.105 1.00 74.23 H new ATOM 0 HH21 ARG A 152 -16.180 -2.942 -4.216 1.00 61.13 H new ATOM 0 HH22 ARG A 152 -15.832 -1.862 -2.862 1.00 61.13 H new ATOM 2442 N LEU A 153 -10.908 -6.952 -6.025 1.00 62.00 N ATOM 2443 CA LEU A 153 -11.045 -7.462 -7.409 1.00 32.05 C ATOM 2444 C LEU A 153 -12.343 -6.977 -8.102 1.00 31.41 C ATOM 2445 O LEU A 153 -13.176 -6.277 -7.514 1.00 34.50 O ATOM 2446 CB LEU A 153 -10.991 -9.018 -7.445 1.00 20.53 C ATOM 2447 CG LEU A 153 -9.640 -9.673 -7.033 1.00 54.24 C ATOM 2448 CD1 LEU A 153 -9.756 -11.212 -7.020 1.00 63.33 C ATOM 2449 CD2 LEU A 153 -8.489 -9.203 -7.957 1.00 2.24 C ATOM 0 H LEU A 153 -10.997 -7.674 -5.310 1.00 62.00 H new ATOM 0 HA LEU A 153 -10.198 -7.055 -7.962 1.00 32.05 H new ATOM 0 HB2 LEU A 153 -11.771 -9.402 -6.788 1.00 20.53 H new ATOM 0 HB3 LEU A 153 -11.235 -9.345 -8.456 1.00 20.53 H new ATOM 0 HG LEU A 153 -9.403 -9.349 -6.020 1.00 54.24 H new ATOM 0 HD11 LEU A 153 -8.800 -11.647 -6.729 1.00 63.33 H new ATOM 0 HD12 LEU A 153 -10.523 -11.513 -6.307 1.00 63.33 H new ATOM 0 HD13 LEU A 153 -10.027 -11.565 -8.015 1.00 63.33 H new ATOM 0 HD21 LEU A 153 -7.557 -9.676 -7.647 1.00 2.24 H new ATOM 0 HD22 LEU A 153 -8.712 -9.482 -8.987 1.00 2.24 H new ATOM 0 HD23 LEU A 153 -8.387 -8.120 -7.889 1.00 2.24 H new