USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 662 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 100 HIS : no HD1:sc= -8.34! C(o=-12!,f=-19!) USER MOD Set 1.2: A 123 CYS SG : rot -26:sc= -0.016 USER MOD Set 1.3: A 151 LYS NZ :NH3+ 144:sc= -3.33! (180deg=-4.95!) USER MOD Set 2.1: A 103 CYS SG : rot -69:sc= -21.4! USER MOD Set 2.2: A 109 CYS SG : rot 96:sc= -19.5! USER MOD Set 3.1: A 104 THR OG1 : rot -37:sc= 1.04 USER MOD Set 3.2: A 133 ASN : amide:sc= -0.686 K(o=0.35,f=1) USER MOD Set 4.1: A 34 CYS SG : rot -71:sc= -21.4! USER MOD Set 4.2: A 47 CYS SG : rot 67:sc= -25.5! USER MOD Set 5.1: A 17 HIS : no HD1:sc= -9.08! C(o=-12!,f=-18!) USER MOD Set 5.2: A 28 ASN : amide:sc= -0.0884 K(o=-12,f=-13!) USER MOD Set 5.3: A 29 CYS SG : rot 180:sc= -3.15! USER MOD Set 6.1: A 27 CYS SG : rot 49:sc= 0.658 USER MOD Set 6.2: A 129 LYS NZ :NH3+ -176:sc= 1.01 (180deg=0) USER MOD Set 7.1: A 18 CYS SG : rot 153:sc= 0.495 USER MOD Set 7.2: A 21 ASN : amide:sc= -11.2! C(o=-11!,f=-15!) USER MOD Single : A 24 ASN : amide:sc= -0.0701 K(o=-0.07,f=-0.94) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 35:sc= 1.04 USER MOD Single : A 37 LYS NZ :NH3+ -161:sc= -0.0105 (180deg=-0.17) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc=-0.000535 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-0.51) USER MOD Single : A 50 CYS SG : rot 48:sc= -0.707 USER MOD Single : A 53 ASN : amide:sc= -9.9! C(o=-9.9!,f=-5.9!) USER MOD Single : A 54 ASN : amide:sc= -5.79! K(o=-5.8!,f=-2.5) USER MOD Single : A 65 CYS SG : rot -166:sc= -2.08 USER MOD Single : A 66 ASN : amide:sc= -0.744! K(o=-0.74!,f=-0.17) USER MOD Single : A 69 HIS : no HD1:sc= -9.96! C(o=-10!,f=-20!) USER MOD Single : A 71 CYS SG : rot 100:sc= -0.568 USER MOD Single : A 72 HIS : no HD1:sc=-0.00459 X(o=-0.0046,f=-0.0046) USER MOD Single : A 73 HIS : no HD1:sc= -0.317 X(o=-0.32,f=-0.47) USER MOD Single : A 74 CYS SG : rot 180:sc= 0.132 USER MOD Single : A 75 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-4.2) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0125 USER MOD Single : A 83 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.41) USER MOD Single : A 84 CYS SG : rot 180:sc= 0.0385 USER MOD Single : A 85 HIS : no HE2:sc= -2.64 K(o=-2.6,f=-5.7!) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 69:sc= 0.0887 USER MOD Single : A 88 CYS SG : rot 116:sc= 0.271 USER MOD Single : A 99 THR OG1 : rot 16:sc= 0.463 USER MOD Single : A 105 LYS NZ :NH3+ -160:sc= -0.129 (180deg=-0.608) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot -147:sc= 0.0223 USER MOD Single : A 125 CYS SG : rot 180:sc= -0.561 USER MOD Single : A 127 CYS SG : rot 32:sc= 0.0727 USER MOD Single : A 128 SER OG : rot 160:sc= 0.722 USER MOD Single : A 152 THR OG1 : rot 180:sc= -0.805 USER MOD Single : A 162 TYR OH : rot 162:sc=0.000344 USER MOD Single : A 163 HIS : no HD1:sc= -0.164 X(o=-0.16,f=-0.45) USER MOD Single : A 164 SER OG : rot 180:sc= 0.0845 USER MOD Single : A 165 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 216 N HIS A 17 -3.061 -2.093 5.791 1.00 10.21 N ATOM 217 CA HIS A 17 -1.934 -2.179 6.713 1.00 31.21 C ATOM 218 C HIS A 17 -2.353 -2.841 8.023 1.00 51.34 C ATOM 219 O HIS A 17 -3.537 -3.089 8.253 1.00 72.24 O ATOM 220 CB HIS A 17 -1.367 -0.787 6.990 1.00 2.33 C ATOM 221 CG HIS A 17 -0.049 -0.808 7.701 1.00 4.40 C ATOM 222 ND1 HIS A 17 0.081 -1.119 9.038 1.00 14.11 N ATOM 223 CD2 HIS A 17 1.203 -0.555 7.252 1.00 22.13 C ATOM 224 CE1 HIS A 17 1.355 -1.055 9.382 1.00 73.35 C ATOM 225 NE2 HIS A 17 2.057 -0.716 8.316 1.00 41.42 N ATOM 0 HA HIS A 17 -1.162 -2.791 6.248 1.00 31.21 H new ATOM 0 HB2 HIS A 17 -1.252 -0.256 6.045 1.00 2.33 H new ATOM 0 HB3 HIS A 17 -2.084 -0.224 7.587 1.00 2.33 H new ATOM 0 HD2 HIS A 17 1.479 -0.278 6.245 1.00 22.13 H new ATOM 0 HE1 HIS A 17 1.754 -1.247 10.367 1.00 73.35 H new ATOM 0 HE2 HIS A 17 3.069 -0.594 8.287 1.00 41.42 H new ATOM 233 N CYS A 18 -1.375 -3.124 8.876 1.00 53.41 N ATOM 234 CA CYS A 18 -1.643 -3.758 10.162 1.00 64.01 C ATOM 235 C CYS A 18 -0.401 -3.737 11.047 1.00 65.51 C ATOM 236 O CYS A 18 0.576 -4.438 10.780 1.00 72.40 O ATOM 237 CB CYS A 18 -2.113 -5.199 9.956 1.00 42.44 C ATOM 238 SG CYS A 18 -3.122 -5.847 11.308 1.00 13.44 S ATOM 0 H CYS A 18 -0.390 -2.925 8.701 1.00 53.41 H new ATOM 0 HA CYS A 18 -2.432 -3.194 10.660 1.00 64.01 H new ATOM 0 HB2 CYS A 18 -2.686 -5.254 9.031 1.00 42.44 H new ATOM 0 HB3 CYS A 18 -1.240 -5.840 9.829 1.00 42.44 H new ATOM 0 HG CYS A 18 -3.915 -6.772 10.853 1.00 13.44 H new ATOM 244 N ASP A 19 -0.444 -2.928 12.100 1.00 71.53 N ATOM 245 CA ASP A 19 0.678 -2.816 13.024 1.00 0.32 C ATOM 246 C ASP A 19 1.930 -3.462 12.440 1.00 4.12 C ATOM 247 O ASP A 19 2.458 -3.010 11.425 1.00 41.34 O ATOM 248 CB ASP A 19 0.330 -3.467 14.364 1.00 43.03 C ATOM 249 CG ASP A 19 -0.812 -2.764 15.070 1.00 0.21 C ATOM 250 OD1 ASP A 19 -1.293 -3.294 16.094 1.00 53.24 O ATOM 251 OD2 ASP A 19 -1.224 -1.683 14.600 1.00 12.01 O ATOM 0 H ASP A 19 -1.244 -2.340 12.335 1.00 71.53 H new ATOM 0 HA ASP A 19 0.880 -1.757 13.185 1.00 0.32 H new ATOM 0 HB2 ASP A 19 0.064 -4.511 14.199 1.00 43.03 H new ATOM 0 HB3 ASP A 19 1.210 -3.460 15.007 1.00 43.03 H new ATOM 256 N ALA A 20 2.401 -4.521 13.090 1.00 63.42 N ATOM 257 CA ALA A 20 3.591 -5.230 12.635 1.00 72.25 C ATOM 258 C ALA A 20 3.391 -5.792 11.231 1.00 65.10 C ATOM 259 O ALA A 20 4.233 -5.607 10.353 1.00 51.31 O ATOM 260 CB ALA A 20 3.945 -6.346 13.607 1.00 53.05 C ATOM 0 H ALA A 20 1.977 -4.907 13.933 1.00 63.42 H new ATOM 0 HA ALA A 20 4.416 -4.519 12.600 1.00 72.25 H new ATOM 0 HB1 ALA A 20 4.835 -6.867 13.255 1.00 53.05 H new ATOM 0 HB2 ALA A 20 4.139 -5.922 14.592 1.00 53.05 H new ATOM 0 HB3 ALA A 20 3.115 -7.049 13.671 1.00 53.05 H new ATOM 266 N ASN A 21 2.273 -6.480 11.027 1.00 33.14 N ATOM 267 CA ASN A 21 1.964 -7.070 9.730 1.00 32.51 C ATOM 268 C ASN A 21 2.185 -6.062 8.607 1.00 44.01 C ATOM 269 O ASN A 21 2.932 -6.321 7.664 1.00 21.11 O ATOM 270 CB ASN A 21 0.518 -7.569 9.705 1.00 74.33 C ATOM 271 CG ASN A 21 -0.095 -7.636 11.090 1.00 14.32 C ATOM 272 OD1 ASN A 21 -0.575 -8.685 11.519 1.00 23.34 O ATOM 273 ND2 ASN A 21 -0.083 -6.512 11.797 1.00 2.41 N ATOM 0 H ASN A 21 1.566 -6.643 11.744 1.00 33.14 H new ATOM 0 HA ASN A 21 2.636 -7.914 9.574 1.00 32.51 H new ATOM 0 HB2 ASN A 21 -0.080 -6.909 9.077 1.00 74.33 H new ATOM 0 HB3 ASN A 21 0.486 -8.558 9.248 1.00 74.33 H new ATOM 0 HD21 ASN A 21 -0.482 -6.495 12.735 1.00 2.41 H new ATOM 0 HD22 ASN A 21 0.326 -5.665 11.402 1.00 2.41 H new ATOM 280 N GLY A 22 1.531 -4.910 8.716 1.00 51.43 N ATOM 281 CA GLY A 22 1.670 -3.879 7.703 1.00 32.23 C ATOM 282 C GLY A 22 3.118 -3.513 7.444 1.00 54.13 C ATOM 283 O GLY A 22 3.546 -3.429 6.293 1.00 10.13 O ATOM 0 H GLY A 22 0.907 -4.672 9.487 1.00 51.43 H new ATOM 0 HA2 GLY A 22 1.213 -4.222 6.775 1.00 32.23 H new ATOM 0 HA3 GLY A 22 1.124 -2.989 8.017 1.00 32.23 H new ATOM 287 N GLU A 23 3.872 -3.293 8.516 1.00 42.32 N ATOM 288 CA GLU A 23 5.280 -2.931 8.397 1.00 13.31 C ATOM 289 C GLU A 23 6.110 -4.121 7.924 1.00 14.31 C ATOM 290 O GLU A 23 7.226 -3.957 7.434 1.00 0.31 O ATOM 291 CB GLU A 23 5.814 -2.424 9.738 1.00 13.53 C ATOM 292 CG GLU A 23 6.609 -3.464 10.510 1.00 53.45 C ATOM 293 CD GLU A 23 8.064 -3.516 10.088 1.00 4.41 C ATOM 294 OE1 GLU A 23 8.684 -4.591 10.230 1.00 4.51 O ATOM 295 OE2 GLU A 23 8.584 -2.482 9.617 1.00 74.41 O ATOM 0 H GLU A 23 3.532 -3.359 9.476 1.00 42.32 H new ATOM 0 HA GLU A 23 5.363 -2.135 7.657 1.00 13.31 H new ATOM 0 HB2 GLU A 23 6.446 -1.553 9.562 1.00 13.53 H new ATOM 0 HB3 GLU A 23 4.976 -2.091 10.351 1.00 13.53 H new ATOM 0 HG2 GLU A 23 6.551 -3.243 11.576 1.00 53.45 H new ATOM 0 HG3 GLU A 23 6.157 -4.445 10.363 1.00 53.45 H new ATOM 302 N ASN A 24 5.555 -5.319 8.076 1.00 71.04 N ATOM 303 CA ASN A 24 6.244 -6.537 7.665 1.00 35.43 C ATOM 304 C ASN A 24 6.065 -6.786 6.171 1.00 45.14 C ATOM 305 O ASN A 24 6.953 -7.327 5.511 1.00 65.41 O ATOM 306 CB ASN A 24 5.720 -7.736 8.459 1.00 74.01 C ATOM 307 CG ASN A 24 6.712 -8.219 9.500 1.00 54.44 C ATOM 308 OD1 ASN A 24 7.550 -7.453 9.976 1.00 62.42 O ATOM 309 ND2 ASN A 24 6.620 -9.494 9.857 1.00 30.23 N ATOM 0 H ASN A 24 4.631 -5.472 8.480 1.00 71.04 H new ATOM 0 HA ASN A 24 7.307 -6.410 7.869 1.00 35.43 H new ATOM 0 HB2 ASN A 24 4.786 -7.463 8.950 1.00 74.01 H new ATOM 0 HB3 ASN A 24 5.492 -8.551 7.772 1.00 74.01 H new ATOM 0 HD21 ASN A 24 7.260 -9.876 10.553 1.00 30.23 H new ATOM 0 HD22 ASN A 24 5.909 -10.092 9.435 1.00 30.23 H new ATOM 316 N CYS A 25 4.914 -6.386 5.643 1.00 33.33 N ATOM 317 CA CYS A 25 4.618 -6.566 4.226 1.00 5.51 C ATOM 318 C CYS A 25 4.759 -5.248 3.471 1.00 71.03 C ATOM 319 O CYS A 25 5.439 -5.177 2.447 1.00 32.20 O ATOM 320 CB CYS A 25 3.206 -7.124 4.045 1.00 42.54 C ATOM 321 SG CYS A 25 3.139 -8.923 3.885 1.00 75.34 S ATOM 0 H CYS A 25 4.170 -5.935 6.175 1.00 33.33 H new ATOM 0 HA CYS A 25 5.336 -7.277 3.817 1.00 5.51 H new ATOM 0 HB2 CYS A 25 2.596 -6.823 4.896 1.00 42.54 H new ATOM 0 HB3 CYS A 25 2.760 -6.674 3.158 1.00 42.54 H new ATOM 0 HG CYS A 25 1.903 -9.300 3.738 1.00 75.34 H new ATOM 327 N SER A 26 4.110 -4.207 3.982 1.00 52.32 N ATOM 328 CA SER A 26 4.158 -2.892 3.352 1.00 34.24 C ATOM 329 C SER A 26 4.038 -1.786 4.396 1.00 44.41 C ATOM 330 O SER A 26 2.960 -1.544 4.940 1.00 41.43 O ATOM 331 CB SER A 26 3.038 -2.757 2.319 1.00 34.11 C ATOM 332 OG SER A 26 1.764 -2.785 2.941 1.00 43.55 O ATOM 0 H SER A 26 3.545 -4.248 4.830 1.00 52.32 H new ATOM 0 HA SER A 26 5.120 -2.791 2.849 1.00 34.24 H new ATOM 0 HB2 SER A 26 3.157 -1.824 1.769 1.00 34.11 H new ATOM 0 HB3 SER A 26 3.109 -3.567 1.593 1.00 34.11 H new ATOM 0 HG SER A 26 1.817 -2.344 3.815 1.00 43.55 H new ATOM 338 N CYS A 27 5.153 -1.118 4.670 1.00 3.52 N ATOM 339 CA CYS A 27 5.176 -0.036 5.649 1.00 35.52 C ATOM 340 C CYS A 27 4.838 1.298 4.993 1.00 44.40 C ATOM 341 O CYS A 27 5.729 2.076 4.653 1.00 54.41 O ATOM 342 CB CYS A 27 6.547 0.043 6.320 1.00 4.54 C ATOM 343 SG CYS A 27 7.934 0.105 5.161 1.00 32.54 S ATOM 0 H CYS A 27 6.053 -1.306 4.228 1.00 3.52 H new ATOM 0 HA CYS A 27 4.421 -0.248 6.407 1.00 35.52 H new ATOM 0 HB2 CYS A 27 6.578 0.928 6.955 1.00 4.54 H new ATOM 0 HB3 CYS A 27 6.671 -0.822 6.972 1.00 4.54 H new ATOM 0 HG CYS A 27 7.699 1.002 4.250 1.00 32.54 H new ATOM 349 N ASN A 28 3.546 1.556 4.817 1.00 64.32 N ATOM 350 CA ASN A 28 3.091 2.796 4.199 1.00 64.22 C ATOM 351 C ASN A 28 1.589 2.979 4.389 1.00 12.13 C ATOM 352 O ASN A 28 0.897 3.481 3.502 1.00 31.43 O ATOM 353 CB ASN A 28 3.432 2.802 2.707 1.00 21.32 C ATOM 354 CG ASN A 28 3.170 1.461 2.049 1.00 71.10 C ATOM 355 OD1 ASN A 28 4.054 0.607 1.980 1.00 43.32 O ATOM 356 ND2 ASN A 28 1.950 1.270 1.561 1.00 14.02 N ATOM 0 H ASN A 28 2.796 0.923 5.094 1.00 64.32 H new ATOM 0 HA ASN A 28 3.605 3.625 4.686 1.00 64.22 H new ATOM 0 HB2 ASN A 28 2.844 3.571 2.206 1.00 21.32 H new ATOM 0 HB3 ASN A 28 4.481 3.068 2.578 1.00 21.32 H new ATOM 0 HD21 ASN A 28 1.715 0.388 1.107 1.00 14.02 H new ATOM 0 HD22 ASN A 28 1.248 2.006 1.640 1.00 14.02 H new ATOM 363 N CYS A 29 1.091 2.570 5.551 1.00 3.51 N ATOM 364 CA CYS A 29 -0.330 2.689 5.859 1.00 44.34 C ATOM 365 C CYS A 29 -0.610 2.278 7.300 1.00 32.42 C ATOM 366 O CYS A 29 0.307 1.945 8.050 1.00 70.00 O ATOM 367 CB CYS A 29 -1.154 1.829 4.900 1.00 22.41 C ATOM 368 SG CYS A 29 -0.177 0.641 3.949 1.00 50.35 S ATOM 0 H CYS A 29 1.650 2.153 6.295 1.00 3.51 H new ATOM 0 HA CYS A 29 -0.617 3.733 5.737 1.00 44.34 H new ATOM 0 HB2 CYS A 29 -1.909 1.288 5.471 1.00 22.41 H new ATOM 0 HB3 CYS A 29 -1.686 2.483 4.208 1.00 22.41 H new ATOM 0 HG CYS A 29 -0.962 -0.040 3.168 1.00 50.35 H new ATOM 374 N GLU A 30 -1.884 2.304 7.681 1.00 43.33 N ATOM 375 CA GLU A 30 -2.284 1.936 9.034 1.00 41.23 C ATOM 376 C GLU A 30 -3.747 1.505 9.070 1.00 54.50 C ATOM 377 O GLU A 30 -4.653 2.339 9.026 1.00 51.12 O ATOM 378 CB GLU A 30 -2.062 3.108 9.992 1.00 41.32 C ATOM 379 CG GLU A 30 -2.587 4.433 9.465 1.00 51.12 C ATOM 380 CD GLU A 30 -1.498 5.288 8.847 1.00 1.42 C ATOM 381 OE1 GLU A 30 -0.490 5.553 9.536 1.00 71.10 O ATOM 382 OE2 GLU A 30 -1.653 5.693 7.676 1.00 0.33 O ATOM 0 H GLU A 30 -2.656 2.576 7.072 1.00 43.33 H new ATOM 0 HA GLU A 30 -1.668 1.095 9.352 1.00 41.23 H new ATOM 0 HB2 GLU A 30 -2.548 2.887 10.942 1.00 41.32 H new ATOM 0 HB3 GLU A 30 -0.995 3.204 10.194 1.00 41.32 H new ATOM 0 HG2 GLU A 30 -3.361 4.243 8.721 1.00 51.12 H new ATOM 0 HG3 GLU A 30 -3.057 4.983 10.280 1.00 51.12 H new ATOM 389 N LEU A 31 -3.971 0.199 9.150 1.00 33.52 N ATOM 390 CA LEU A 31 -5.325 -0.345 9.192 1.00 44.31 C ATOM 391 C LEU A 31 -5.330 -1.747 9.791 1.00 30.40 C ATOM 392 O LEU A 31 -4.302 -2.239 10.257 1.00 2.22 O ATOM 393 CB LEU A 31 -5.926 -0.376 7.786 1.00 54.10 C ATOM 394 CG LEU A 31 -7.053 0.622 7.516 1.00 74.40 C ATOM 395 CD1 LEU A 31 -7.504 0.538 6.066 1.00 74.20 C ATOM 396 CD2 LEU A 31 -8.224 0.371 8.456 1.00 42.22 C ATOM 0 H LEU A 31 -3.233 -0.504 9.187 1.00 33.52 H new ATOM 0 HA LEU A 31 -5.931 0.302 9.826 1.00 44.31 H new ATOM 0 HB2 LEU A 31 -5.127 -0.195 7.067 1.00 54.10 H new ATOM 0 HB3 LEU A 31 -6.304 -1.381 7.596 1.00 54.10 H new ATOM 0 HG LEU A 31 -6.674 1.627 7.700 1.00 74.40 H new ATOM 0 HD11 LEU A 31 -8.306 1.255 5.892 1.00 74.20 H new ATOM 0 HD12 LEU A 31 -6.664 0.767 5.410 1.00 74.20 H new ATOM 0 HD13 LEU A 31 -7.865 -0.469 5.855 1.00 74.20 H new ATOM 0 HD21 LEU A 31 -9.017 1.090 8.250 1.00 42.22 H new ATOM 0 HD22 LEU A 31 -8.602 -0.640 8.304 1.00 42.22 H new ATOM 0 HD23 LEU A 31 -7.892 0.483 9.488 1.00 42.22 H new ATOM 408 N PHE A 32 -6.494 -2.388 9.773 1.00 30.33 N ATOM 409 CA PHE A 32 -6.633 -3.736 10.314 1.00 53.53 C ATOM 410 C PHE A 32 -6.724 -4.765 9.191 1.00 24.11 C ATOM 411 O PHE A 32 -7.753 -4.886 8.526 1.00 3.22 O ATOM 412 CB PHE A 32 -7.874 -3.825 11.204 1.00 35.00 C ATOM 413 CG PHE A 32 -9.063 -3.093 10.651 1.00 53.34 C ATOM 414 CD1 PHE A 32 -9.246 -1.744 10.911 1.00 20.24 C ATOM 415 CD2 PHE A 32 -9.998 -3.753 9.870 1.00 55.00 C ATOM 416 CE1 PHE A 32 -10.339 -1.067 10.403 1.00 23.23 C ATOM 417 CE2 PHE A 32 -11.093 -3.081 9.359 1.00 62.11 C ATOM 418 CZ PHE A 32 -11.264 -1.737 9.627 1.00 42.01 C ATOM 0 H PHE A 32 -7.354 -1.996 9.390 1.00 30.33 H new ATOM 0 HA PHE A 32 -5.749 -3.954 10.913 1.00 53.53 H new ATOM 0 HB2 PHE A 32 -8.136 -4.874 11.344 1.00 35.00 H new ATOM 0 HB3 PHE A 32 -7.635 -3.422 12.188 1.00 35.00 H new ATOM 0 HD1 PHE A 32 -8.526 -1.215 11.518 1.00 20.24 H new ATOM 0 HD2 PHE A 32 -9.870 -4.804 9.658 1.00 55.00 H new ATOM 0 HE1 PHE A 32 -10.469 -0.016 10.613 1.00 23.23 H new ATOM 0 HE2 PHE A 32 -11.814 -3.607 8.751 1.00 62.11 H new ATOM 0 HZ PHE A 32 -12.120 -1.211 9.230 1.00 42.01 H new ATOM 428 N ASP A 33 -5.639 -5.504 8.986 1.00 20.20 N ATOM 429 CA ASP A 33 -5.594 -6.524 7.945 1.00 75.23 C ATOM 430 C ASP A 33 -5.197 -7.877 8.526 1.00 22.30 C ATOM 431 O ASP A 33 -4.776 -7.970 9.679 1.00 4.04 O ATOM 432 CB ASP A 33 -4.611 -6.119 6.845 1.00 14.44 C ATOM 433 CG ASP A 33 -4.906 -6.802 5.524 1.00 2.15 C ATOM 434 OD1 ASP A 33 -3.943 -7.138 4.803 1.00 75.23 O ATOM 435 OD2 ASP A 33 -6.098 -7.001 5.213 1.00 73.11 O ATOM 0 H ASP A 33 -4.779 -5.416 9.527 1.00 20.20 H new ATOM 0 HA ASP A 33 -6.592 -6.612 7.515 1.00 75.23 H new ATOM 0 HB2 ASP A 33 -4.649 -5.038 6.708 1.00 14.44 H new ATOM 0 HB3 ASP A 33 -3.597 -6.365 7.159 1.00 14.44 H new ATOM 440 N CYS A 34 -5.334 -8.925 7.720 1.00 32.14 N ATOM 441 CA CYS A 34 -4.991 -10.274 8.154 1.00 32.01 C ATOM 442 C CYS A 34 -4.543 -11.128 6.972 1.00 64.03 C ATOM 443 O CYS A 34 -5.182 -11.134 5.920 1.00 20.04 O ATOM 444 CB CYS A 34 -6.188 -10.930 8.846 1.00 41.40 C ATOM 445 SG CYS A 34 -7.009 -9.867 10.077 1.00 23.23 S ATOM 0 H CYS A 34 -5.680 -8.866 6.762 1.00 32.14 H new ATOM 0 HA CYS A 34 -4.165 -10.202 8.862 1.00 32.01 H new ATOM 0 HB2 CYS A 34 -6.917 -11.221 8.090 1.00 41.40 H new ATOM 0 HB3 CYS A 34 -5.854 -11.845 9.336 1.00 41.40 H new ATOM 0 HG CYS A 34 -6.240 -9.733 11.116 1.00 23.23 H new ATOM 450 N GLU A 35 -3.440 -11.848 7.153 1.00 4.41 N ATOM 451 CA GLU A 35 -2.906 -12.705 6.101 1.00 2.41 C ATOM 452 C GLU A 35 -3.199 -14.173 6.394 1.00 33.12 C ATOM 453 O GLU A 35 -3.653 -14.521 7.484 1.00 5.22 O ATOM 454 CB GLU A 35 -1.397 -12.494 5.957 1.00 11.52 C ATOM 455 CG GLU A 35 -0.998 -11.822 4.654 1.00 11.41 C ATOM 456 CD GLU A 35 -0.384 -12.790 3.662 1.00 30.53 C ATOM 457 OE1 GLU A 35 0.861 -12.882 3.616 1.00 12.31 O ATOM 458 OE2 GLU A 35 -1.147 -13.457 2.933 1.00 53.13 O ATOM 0 H GLU A 35 -2.899 -11.855 8.018 1.00 4.41 H new ATOM 0 HA GLU A 35 -3.395 -12.434 5.165 1.00 2.41 H new ATOM 0 HB2 GLU A 35 -1.042 -11.889 6.791 1.00 11.52 H new ATOM 0 HB3 GLU A 35 -0.895 -13.459 6.027 1.00 11.52 H new ATOM 0 HG2 GLU A 35 -1.876 -11.357 4.206 1.00 11.41 H new ATOM 0 HG3 GLU A 35 -0.287 -11.023 4.864 1.00 11.41 H new ATOM 465 N ALA A 36 -2.938 -15.030 5.413 1.00 61.04 N ATOM 466 CA ALA A 36 -3.172 -16.461 5.565 1.00 52.42 C ATOM 467 C ALA A 36 -2.031 -17.271 4.961 1.00 64.24 C ATOM 468 O ALA A 36 -1.690 -17.106 3.789 1.00 31.20 O ATOM 469 CB ALA A 36 -4.496 -16.850 4.923 1.00 2.21 C ATOM 0 H ALA A 36 -2.564 -14.758 4.504 1.00 61.04 H new ATOM 0 HA ALA A 36 -3.217 -16.686 6.631 1.00 52.42 H new ATOM 0 HB1 ALA A 36 -4.658 -17.921 5.044 1.00 2.21 H new ATOM 0 HB2 ALA A 36 -5.308 -16.304 5.403 1.00 2.21 H new ATOM 0 HB3 ALA A 36 -4.472 -16.604 3.861 1.00 2.21 H new ATOM 475 N LYS A 37 -1.442 -18.147 5.767 1.00 23.45 N ATOM 476 CA LYS A 37 -0.338 -18.985 5.313 1.00 11.02 C ATOM 477 C LYS A 37 -0.605 -20.454 5.626 1.00 11.24 C ATOM 478 O LYS A 37 -0.920 -20.810 6.762 1.00 21.01 O ATOM 479 CB LYS A 37 0.970 -18.542 5.972 1.00 43.23 C ATOM 480 CG LYS A 37 1.131 -17.033 6.051 1.00 71.50 C ATOM 481 CD LYS A 37 1.342 -16.422 4.676 1.00 71.21 C ATOM 482 CE LYS A 37 2.638 -16.906 4.044 1.00 2.40 C ATOM 483 NZ LYS A 37 2.393 -17.923 2.984 1.00 0.23 N ATOM 0 H LYS A 37 -1.711 -18.296 6.740 1.00 23.45 H new ATOM 0 HA LYS A 37 -0.250 -18.872 4.232 1.00 11.02 H new ATOM 0 HB2 LYS A 37 1.019 -18.957 6.979 1.00 43.23 H new ATOM 0 HB3 LYS A 37 1.808 -18.960 5.414 1.00 43.23 H new ATOM 0 HG2 LYS A 37 0.246 -16.595 6.513 1.00 71.50 H new ATOM 0 HG3 LYS A 37 1.978 -16.790 6.692 1.00 71.50 H new ATOM 0 HD2 LYS A 37 0.503 -16.679 4.030 1.00 71.21 H new ATOM 0 HD3 LYS A 37 1.360 -15.335 4.758 1.00 71.21 H new ATOM 0 HE2 LYS A 37 3.172 -16.058 3.617 1.00 2.40 H new ATOM 0 HE3 LYS A 37 3.281 -17.332 4.814 1.00 2.40 H new ATOM 0 HZ1 LYS A 37 3.268 -18.456 2.805 1.00 0.23 H new ATOM 0 HZ2 LYS A 37 1.647 -18.577 3.296 1.00 0.23 H new ATOM 0 HZ3 LYS A 37 2.092 -17.447 2.109 1.00 0.23 H new ATOM 497 N LYS A 38 -0.476 -21.303 4.613 1.00 72.13 N ATOM 498 CA LYS A 38 -0.701 -22.734 4.780 1.00 64.15 C ATOM 499 C LYS A 38 0.621 -23.475 4.957 1.00 71.05 C ATOM 500 O LYS A 38 1.701 -22.931 4.727 1.00 41.40 O ATOM 501 CB LYS A 38 -1.455 -23.297 3.573 1.00 15.12 C ATOM 502 CG LYS A 38 -2.963 -23.140 3.672 1.00 70.31 C ATOM 503 CD LYS A 38 -3.543 -24.011 4.774 1.00 51.12 C ATOM 504 CE LYS A 38 -5.046 -23.818 4.904 1.00 52.32 C ATOM 505 NZ LYS A 38 -5.751 -25.105 5.156 1.00 52.04 N ATOM 0 H LYS A 38 -0.217 -21.025 3.667 1.00 72.13 H new ATOM 0 HA LYS A 38 -1.303 -22.880 5.677 1.00 64.15 H new ATOM 0 HB2 LYS A 38 -1.104 -22.797 2.670 1.00 15.12 H new ATOM 0 HB3 LYS A 38 -1.214 -24.355 3.465 1.00 15.12 H new ATOM 0 HG2 LYS A 38 -3.209 -22.096 3.865 1.00 70.31 H new ATOM 0 HG3 LYS A 38 -3.421 -23.405 2.719 1.00 70.31 H new ATOM 0 HD2 LYS A 38 -3.326 -25.058 4.563 1.00 51.12 H new ATOM 0 HD3 LYS A 38 -3.061 -23.770 5.721 1.00 51.12 H new ATOM 0 HE2 LYS A 38 -5.254 -23.125 5.719 1.00 52.32 H new ATOM 0 HE3 LYS A 38 -5.434 -23.364 3.992 1.00 52.32 H new ATOM 0 HZ1 LYS A 38 -6.773 -24.931 5.238 1.00 52.04 H new ATOM 0 HZ2 LYS A 38 -5.574 -25.758 4.366 1.00 52.04 H new ATOM 0 HZ3 LYS A 38 -5.399 -25.526 6.039 1.00 52.04 H new ATOM 519 N PRO A 39 0.536 -24.747 5.373 1.00 30.20 N ATOM 520 CA PRO A 39 1.716 -25.590 5.588 1.00 73.33 C ATOM 521 C PRO A 39 2.409 -25.962 4.281 1.00 15.50 C ATOM 522 O PRO A 39 3.553 -26.414 4.281 1.00 24.22 O ATOM 523 CB PRO A 39 1.142 -26.839 6.262 1.00 55.21 C ATOM 524 CG PRO A 39 -0.279 -26.891 5.816 1.00 40.21 C ATOM 525 CD PRO A 39 -0.718 -25.461 5.666 1.00 55.41 C ATOM 0 HA PRO A 39 2.477 -25.081 6.179 1.00 73.33 H new ATOM 0 HB2 PRO A 39 1.684 -27.736 5.962 1.00 55.21 H new ATOM 0 HB3 PRO A 39 1.214 -26.772 7.348 1.00 55.21 H new ATOM 0 HG2 PRO A 39 -0.373 -27.429 4.873 1.00 40.21 H new ATOM 0 HG3 PRO A 39 -0.898 -27.415 6.544 1.00 40.21 H new ATOM 0 HD2 PRO A 39 -1.443 -25.346 4.861 1.00 55.41 H new ATOM 0 HD3 PRO A 39 -1.190 -25.088 6.575 1.00 55.41 H new ATOM 533 N ASP A 40 1.708 -25.767 3.169 1.00 11.33 N ATOM 534 CA ASP A 40 2.257 -26.080 1.855 1.00 53.30 C ATOM 535 C ASP A 40 3.442 -25.176 1.532 1.00 41.43 C ATOM 536 O ASP A 40 3.924 -25.147 0.400 1.00 75.01 O ATOM 537 CB ASP A 40 1.179 -25.932 0.780 1.00 14.32 C ATOM 538 CG ASP A 40 -0.130 -26.586 1.179 1.00 63.15 C ATOM 539 OD1 ASP A 40 -0.146 -27.823 1.352 1.00 72.04 O ATOM 540 OD2 ASP A 40 -1.137 -25.861 1.318 1.00 22.40 O ATOM 0 H ASP A 40 0.759 -25.394 3.152 1.00 11.33 H new ATOM 0 HA ASP A 40 2.605 -27.113 1.870 1.00 53.30 H new ATOM 0 HB2 ASP A 40 1.008 -24.873 0.584 1.00 14.32 H new ATOM 0 HB3 ASP A 40 1.534 -26.375 -0.150 1.00 14.32 H new ATOM 545 N GLY A 41 3.908 -24.437 2.535 1.00 54.04 N ATOM 546 CA GLY A 41 5.032 -23.541 2.336 1.00 31.14 C ATOM 547 C GLY A 41 5.503 -22.907 3.630 1.00 10.11 C ATOM 548 O GLY A 41 6.702 -22.724 3.839 1.00 22.11 O ATOM 0 H GLY A 41 3.527 -24.443 3.481 1.00 54.04 H new ATOM 0 HA2 GLY A 41 5.857 -24.092 1.884 1.00 31.14 H new ATOM 0 HA3 GLY A 41 4.748 -22.758 1.633 1.00 31.14 H new ATOM 552 N SER A 42 4.557 -22.569 4.500 1.00 10.15 N ATOM 553 CA SER A 42 4.881 -21.946 5.779 1.00 63.15 C ATOM 554 C SER A 42 3.614 -21.509 6.507 1.00 20.21 C ATOM 555 O SER A 42 2.795 -20.769 5.962 1.00 41.30 O ATOM 556 CB SER A 42 5.801 -20.742 5.564 1.00 31.35 C ATOM 557 OG SER A 42 5.173 -19.541 5.979 1.00 63.13 O ATOM 0 H SER A 42 3.560 -22.716 4.343 1.00 10.15 H new ATOM 0 HA SER A 42 5.396 -22.683 6.395 1.00 63.15 H new ATOM 0 HB2 SER A 42 6.727 -20.884 6.121 1.00 31.35 H new ATOM 0 HB3 SER A 42 6.071 -20.670 4.510 1.00 31.35 H new ATOM 0 HG SER A 42 5.781 -18.786 5.833 1.00 63.13 H new ATOM 563 N TYR A 43 3.460 -21.973 7.742 1.00 33.11 N ATOM 564 CA TYR A 43 2.292 -21.633 8.546 1.00 74.32 C ATOM 565 C TYR A 43 2.438 -20.244 9.159 1.00 30.15 C ATOM 566 O TYR A 43 3.482 -19.906 9.716 1.00 44.15 O ATOM 567 CB TYR A 43 2.087 -22.672 9.650 1.00 14.30 C ATOM 568 CG TYR A 43 0.640 -23.065 9.850 1.00 25.31 C ATOM 569 CD1 TYR A 43 -0.147 -23.460 8.776 1.00 73.42 C ATOM 570 CD2 TYR A 43 0.062 -23.041 11.113 1.00 75.32 C ATOM 571 CE1 TYR A 43 -1.469 -23.820 8.953 1.00 32.35 C ATOM 572 CE2 TYR A 43 -1.259 -23.401 11.300 1.00 10.21 C ATOM 573 CZ TYR A 43 -2.020 -23.789 10.218 1.00 73.35 C ATOM 574 OH TYR A 43 -3.337 -24.147 10.400 1.00 45.12 O ATOM 0 H TYR A 43 4.129 -22.586 8.208 1.00 33.11 H new ATOM 0 HA TYR A 43 1.420 -21.631 7.892 1.00 74.32 H new ATOM 0 HB2 TYR A 43 2.667 -23.563 9.411 1.00 14.30 H new ATOM 0 HB3 TYR A 43 2.480 -22.277 10.587 1.00 14.30 H new ATOM 0 HD1 TYR A 43 0.282 -23.486 7.785 1.00 73.42 H new ATOM 0 HD2 TYR A 43 0.655 -22.736 11.963 1.00 75.32 H new ATOM 0 HE1 TYR A 43 -2.067 -24.124 8.107 1.00 32.35 H new ATOM 0 HE2 TYR A 43 -1.693 -23.378 12.289 1.00 10.21 H new ATOM 0 HH TYR A 43 -3.568 -24.072 11.349 1.00 45.12 H new ATOM 584 N ALA A 44 1.382 -19.444 9.054 1.00 3.31 N ATOM 585 CA ALA A 44 1.391 -18.092 9.600 1.00 33.43 C ATOM 586 C ALA A 44 0.173 -17.303 9.132 1.00 72.32 C ATOM 587 O ALA A 44 -0.583 -17.760 8.274 1.00 70.25 O ATOM 588 CB ALA A 44 2.672 -17.372 9.207 1.00 71.11 C ATOM 0 H ALA A 44 0.510 -19.708 8.596 1.00 3.31 H new ATOM 0 HA ALA A 44 1.348 -18.165 10.687 1.00 33.43 H new ATOM 0 HB1 ALA A 44 2.665 -16.364 9.622 1.00 71.11 H new ATOM 0 HB2 ALA A 44 3.531 -17.918 9.597 1.00 71.11 H new ATOM 0 HB3 ALA A 44 2.740 -17.317 8.121 1.00 71.11 H new ATOM 594 N HIS A 45 -0.013 -16.116 9.701 1.00 25.50 N ATOM 595 CA HIS A 45 -1.140 -15.264 9.341 1.00 2.42 C ATOM 596 C HIS A 45 -1.216 -14.048 10.260 1.00 53.11 C ATOM 597 O HIS A 45 -1.942 -14.036 11.255 1.00 44.03 O ATOM 598 CB HIS A 45 -2.447 -16.054 9.411 1.00 0.53 C ATOM 599 CG HIS A 45 -2.508 -17.009 10.563 1.00 71.43 C ATOM 600 ND1 HIS A 45 -3.121 -18.242 10.486 1.00 75.02 N ATOM 601 CD2 HIS A 45 -2.026 -16.909 11.824 1.00 54.44 C ATOM 602 CE1 HIS A 45 -3.016 -18.857 11.650 1.00 20.31 C ATOM 603 NE2 HIS A 45 -2.355 -18.070 12.479 1.00 12.42 N ATOM 0 H HIS A 45 0.602 -15.723 10.413 1.00 25.50 H new ATOM 0 HA HIS A 45 -0.990 -14.916 8.319 1.00 2.42 H new ATOM 0 HB2 HIS A 45 -3.281 -15.356 9.484 1.00 0.53 H new ATOM 0 HB3 HIS A 45 -2.577 -16.609 8.482 1.00 0.53 H new ATOM 0 HD2 HIS A 45 -1.484 -16.072 12.238 1.00 54.44 H new ATOM 0 HE1 HIS A 45 -3.405 -19.837 11.884 1.00 20.31 H new ATOM 0 HE2 HIS A 45 -2.126 -18.289 13.449 1.00 12.42 H new ATOM 611 N PRO A 46 -0.450 -13.000 9.921 1.00 32.33 N ATOM 612 CA PRO A 46 -0.414 -11.761 10.703 1.00 43.20 C ATOM 613 C PRO A 46 -1.713 -10.970 10.597 1.00 51.14 C ATOM 614 O PRO A 46 -2.148 -10.615 9.501 1.00 72.34 O ATOM 615 CB PRO A 46 0.742 -10.978 10.074 1.00 75.35 C ATOM 616 CG PRO A 46 0.835 -11.496 8.680 1.00 54.13 C ATOM 617 CD PRO A 46 0.439 -12.945 8.749 1.00 70.02 C ATOM 0 HA PRO A 46 -0.286 -11.955 11.768 1.00 43.20 H new ATOM 0 HB2 PRO A 46 0.547 -9.906 10.086 1.00 75.35 H new ATOM 0 HB3 PRO A 46 1.672 -11.139 10.619 1.00 75.35 H new ATOM 0 HG2 PRO A 46 0.174 -10.942 8.013 1.00 54.13 H new ATOM 0 HG3 PRO A 46 1.847 -11.386 8.290 1.00 54.13 H new ATOM 0 HD2 PRO A 46 -0.072 -13.265 7.841 1.00 70.02 H new ATOM 0 HD3 PRO A 46 1.307 -13.593 8.872 1.00 70.02 H new ATOM 625 N CYS A 47 -2.329 -10.696 11.742 1.00 40.23 N ATOM 626 CA CYS A 47 -3.579 -9.947 11.778 1.00 11.41 C ATOM 627 C CYS A 47 -3.733 -9.209 13.105 1.00 44.41 C ATOM 628 O CYS A 47 -3.164 -9.611 14.120 1.00 33.11 O ATOM 629 CB CYS A 47 -4.767 -10.886 11.564 1.00 35.10 C ATOM 630 SG CYS A 47 -6.354 -10.030 11.303 1.00 72.34 S ATOM 0 H CYS A 47 -1.982 -10.982 12.658 1.00 40.23 H new ATOM 0 HA CYS A 47 -3.556 -9.212 10.974 1.00 11.41 H new ATOM 0 HB2 CYS A 47 -4.563 -11.522 10.702 1.00 35.10 H new ATOM 0 HB3 CYS A 47 -4.858 -11.542 12.430 1.00 35.10 H new ATOM 0 HG CYS A 47 -6.318 -9.383 10.176 1.00 72.34 H new ATOM 635 N ARG A 48 -4.505 -8.127 13.088 1.00 5.11 N ATOM 636 CA ARG A 48 -4.732 -7.332 14.289 1.00 73.11 C ATOM 637 C ARG A 48 -5.176 -8.217 15.450 1.00 1.33 C ATOM 638 O ARG A 48 -6.347 -8.219 15.829 1.00 31.35 O ATOM 639 CB ARG A 48 -5.786 -6.256 14.022 1.00 75.23 C ATOM 640 CG ARG A 48 -7.031 -6.783 13.326 1.00 13.43 C ATOM 641 CD ARG A 48 -8.290 -6.110 13.852 1.00 44.41 C ATOM 642 NE ARG A 48 -8.511 -6.392 15.268 1.00 43.14 N ATOM 643 CZ ARG A 48 -9.378 -5.727 16.023 1.00 71.12 C ATOM 644 NH1 ARG A 48 -10.102 -4.747 15.500 1.00 32.03 N ATOM 645 NH2 ARG A 48 -9.523 -6.043 17.304 1.00 42.45 N ATOM 0 H ARG A 48 -4.983 -7.781 12.256 1.00 5.11 H new ATOM 0 HA ARG A 48 -3.792 -6.851 14.560 1.00 73.11 H new ATOM 0 HB2 ARG A 48 -6.075 -5.799 14.969 1.00 75.23 H new ATOM 0 HB3 ARG A 48 -5.344 -5.470 13.411 1.00 75.23 H new ATOM 0 HG2 ARG A 48 -6.948 -6.614 12.252 1.00 13.43 H new ATOM 0 HG3 ARG A 48 -7.104 -7.860 13.474 1.00 13.43 H new ATOM 0 HD2 ARG A 48 -8.214 -5.033 13.705 1.00 44.41 H new ATOM 0 HD3 ARG A 48 -9.151 -6.450 13.276 1.00 44.41 H new ATOM 0 HE ARG A 48 -7.970 -7.141 15.701 1.00 43.14 H new ATOM 0 HH11 ARG A 48 -9.994 -4.502 14.516 1.00 32.03 H new ATOM 0 HH12 ARG A 48 -10.767 -4.238 16.082 1.00 32.03 H new ATOM 0 HH21 ARG A 48 -8.968 -6.797 17.709 1.00 42.45 H new ATOM 0 HH22 ARG A 48 -10.189 -5.532 17.883 1.00 42.45 H new ATOM 659 N ARG A 49 -4.232 -8.967 16.010 1.00 12.42 N ATOM 660 CA ARG A 49 -4.526 -9.857 17.127 1.00 50.31 C ATOM 661 C ARG A 49 -3.315 -10.721 17.466 1.00 34.40 C ATOM 662 O ARG A 49 -2.729 -11.358 16.589 1.00 14.43 O ATOM 663 CB ARG A 49 -5.725 -10.747 16.795 1.00 12.14 C ATOM 664 CG ARG A 49 -5.697 -11.305 15.382 1.00 53.32 C ATOM 665 CD ARG A 49 -6.301 -12.699 15.321 1.00 22.11 C ATOM 666 NE ARG A 49 -7.756 -12.671 15.440 1.00 31.41 N ATOM 667 CZ ARG A 49 -8.523 -13.751 15.334 1.00 2.14 C ATOM 668 NH1 ARG A 49 -7.976 -14.937 15.109 1.00 25.41 N ATOM 669 NH2 ARG A 49 -9.840 -13.645 15.455 1.00 71.15 N ATOM 0 H ARG A 49 -3.258 -8.976 15.709 1.00 12.42 H new ATOM 0 HA ARG A 49 -4.767 -9.244 17.995 1.00 50.31 H new ATOM 0 HB2 ARG A 49 -5.759 -11.575 17.503 1.00 12.14 H new ATOM 0 HB3 ARG A 49 -6.642 -10.173 16.932 1.00 12.14 H new ATOM 0 HG2 ARG A 49 -6.247 -10.640 14.716 1.00 53.32 H new ATOM 0 HG3 ARG A 49 -4.668 -11.337 15.023 1.00 53.32 H new ATOM 0 HD2 ARG A 49 -6.023 -13.173 14.380 1.00 22.11 H new ATOM 0 HD3 ARG A 49 -5.884 -13.310 16.121 1.00 22.11 H new ATOM 0 HE ARG A 49 -8.208 -11.774 15.614 1.00 31.41 H new ATOM 0 HH11 ARG A 49 -6.964 -15.023 15.017 1.00 25.41 H new ATOM 0 HH12 ARG A 49 -8.567 -15.764 15.028 1.00 25.41 H new ATOM 0 HH21 ARG A 49 -10.264 -12.734 15.629 1.00 71.15 H new ATOM 0 HH22 ARG A 49 -10.428 -14.474 15.373 1.00 71.15 H new ATOM 683 N CYS A 50 -2.946 -10.739 18.742 1.00 55.01 N ATOM 684 CA CYS A 50 -1.805 -11.524 19.197 1.00 63.40 C ATOM 685 C CYS A 50 -1.483 -12.640 18.208 1.00 74.01 C ATOM 686 O CYS A 50 -2.021 -13.743 18.305 1.00 24.53 O ATOM 687 CB CYS A 50 -2.085 -12.117 20.579 1.00 42.51 C ATOM 688 SG CYS A 50 -3.703 -12.910 20.728 1.00 3.20 S ATOM 0 H CYS A 50 -3.421 -10.219 19.480 1.00 55.01 H new ATOM 0 HA CYS A 50 -0.943 -10.860 19.262 1.00 63.40 H new ATOM 0 HB2 CYS A 50 -1.311 -12.848 20.812 1.00 42.51 H new ATOM 0 HB3 CYS A 50 -2.010 -11.325 21.324 1.00 42.51 H new ATOM 0 HG CYS A 50 -3.895 -13.698 19.712 1.00 3.20 H new ATOM 694 N ASP A 51 -0.606 -12.344 17.256 1.00 64.44 N ATOM 695 CA ASP A 51 -0.213 -13.322 16.247 1.00 22.35 C ATOM 696 C ASP A 51 0.800 -12.724 15.276 1.00 74.13 C ATOM 697 O ASP A 51 0.517 -11.735 14.600 1.00 31.22 O ATOM 698 CB ASP A 51 -1.441 -13.819 15.483 1.00 64.14 C ATOM 699 CG ASP A 51 -1.435 -15.323 15.293 1.00 32.35 C ATOM 700 OD1 ASP A 51 -0.725 -15.805 14.386 1.00 23.12 O ATOM 701 OD2 ASP A 51 -2.141 -16.019 16.053 1.00 1.13 O ATOM 0 H ASP A 51 -0.153 -11.435 17.161 1.00 64.44 H new ATOM 0 HA ASP A 51 0.254 -14.165 16.756 1.00 22.35 H new ATOM 0 HB2 ASP A 51 -2.343 -13.527 16.021 1.00 64.14 H new ATOM 0 HB3 ASP A 51 -1.480 -13.333 14.508 1.00 64.14 H new ATOM 706 N ALA A 52 1.980 -13.330 15.212 1.00 65.52 N ATOM 707 CA ALA A 52 3.034 -12.859 14.322 1.00 5.55 C ATOM 708 C ALA A 52 3.374 -13.907 13.268 1.00 15.22 C ATOM 709 O ALA A 52 3.218 -15.105 13.499 1.00 65.21 O ATOM 710 CB ALA A 52 4.275 -12.491 15.123 1.00 63.52 C ATOM 0 H ALA A 52 2.231 -14.149 15.766 1.00 65.52 H new ATOM 0 HA ALA A 52 2.670 -11.970 13.807 1.00 5.55 H new ATOM 0 HB1 ALA A 52 5.054 -12.141 14.446 1.00 63.52 H new ATOM 0 HB2 ALA A 52 4.029 -11.701 15.833 1.00 63.52 H new ATOM 0 HB3 ALA A 52 4.632 -13.367 15.665 1.00 63.52 H new ATOM 716 N ASN A 53 3.836 -13.447 12.110 1.00 4.24 N ATOM 717 CA ASN A 53 4.196 -14.346 11.020 1.00 42.32 C ATOM 718 C ASN A 53 5.643 -14.126 10.589 1.00 63.40 C ATOM 719 O ASN A 53 5.943 -13.205 9.831 1.00 11.01 O ATOM 720 CB ASN A 53 3.260 -14.135 9.828 1.00 61.51 C ATOM 721 CG ASN A 53 3.591 -12.878 9.048 1.00 51.22 C ATOM 722 OD1 ASN A 53 3.740 -12.913 7.826 1.00 1.03 O ATOM 723 ND2 ASN A 53 3.707 -11.758 9.752 1.00 22.23 N ATOM 0 H ASN A 53 3.970 -12.457 11.902 1.00 4.24 H new ATOM 0 HA ASN A 53 4.094 -15.370 11.378 1.00 42.32 H new ATOM 0 HB2 ASN A 53 3.321 -14.998 9.164 1.00 61.51 H new ATOM 0 HB3 ASN A 53 2.231 -14.078 10.183 1.00 61.51 H new ATOM 0 HD21 ASN A 53 3.928 -10.880 9.281 1.00 22.23 H new ATOM 0 HD22 ASN A 53 3.575 -11.775 10.763 1.00 22.23 H new ATOM 730 N ASN A 54 6.536 -14.981 11.078 1.00 44.22 N ATOM 731 CA ASN A 54 7.952 -14.881 10.743 1.00 5.35 C ATOM 732 C ASN A 54 8.581 -16.265 10.619 1.00 23.24 C ATOM 733 O ASN A 54 8.579 -17.047 11.571 1.00 15.30 O ATOM 734 CB ASN A 54 8.692 -14.066 11.806 1.00 4.41 C ATOM 735 CG ASN A 54 8.190 -14.352 13.208 1.00 52.20 C ATOM 736 OD1 ASN A 54 8.944 -14.805 14.069 1.00 33.41 O ATOM 737 ND2 ASN A 54 6.910 -14.087 13.443 1.00 72.41 N ATOM 0 H ASN A 54 6.304 -15.750 11.707 1.00 44.22 H new ATOM 0 HA ASN A 54 8.037 -14.375 9.781 1.00 5.35 H new ATOM 0 HB2 ASN A 54 9.758 -14.287 11.753 1.00 4.41 H new ATOM 0 HB3 ASN A 54 8.576 -13.004 11.591 1.00 4.41 H new ATOM 0 HD21 ASN A 54 6.515 -14.258 14.368 1.00 72.41 H new ATOM 0 HD22 ASN A 54 6.322 -13.712 12.699 1.00 72.41 H new ATOM 853 N ILE A 63 2.658 -17.872 14.822 1.00 44.21 N ATOM 854 CA ILE A 63 2.850 -17.647 16.249 1.00 33.13 C ATOM 855 C ILE A 63 1.946 -16.528 16.756 1.00 43.24 C ATOM 856 O ILE A 63 1.381 -15.754 15.982 1.00 63.51 O ATOM 857 CB ILE A 63 4.314 -17.296 16.573 1.00 51.33 C ATOM 858 CG1 ILE A 63 5.016 -16.747 15.329 1.00 62.11 C ATOM 859 CG2 ILE A 63 5.047 -18.518 17.106 1.00 54.14 C ATOM 860 CD1 ILE A 63 6.501 -16.528 15.520 1.00 14.04 C ATOM 0 HA ILE A 63 2.589 -18.578 16.752 1.00 33.13 H new ATOM 0 HB ILE A 63 4.326 -16.526 17.344 1.00 51.33 H new ATOM 0 HG12 ILE A 63 4.863 -17.438 14.500 1.00 62.11 H new ATOM 0 HG13 ILE A 63 4.551 -15.802 15.046 1.00 62.11 H new ATOM 0 HG21 ILE A 63 6.080 -18.253 17.330 1.00 54.14 H new ATOM 0 HG22 ILE A 63 4.557 -18.869 18.014 1.00 54.14 H new ATOM 0 HG23 ILE A 63 5.030 -19.309 16.356 1.00 54.14 H new ATOM 0 HD11 ILE A 63 6.933 -16.138 14.598 1.00 14.04 H new ATOM 0 HD12 ILE A 63 6.663 -15.813 16.327 1.00 14.04 H new ATOM 0 HD13 ILE A 63 6.979 -17.475 15.772 1.00 14.04 H new ATOM 872 N PRO A 64 1.807 -16.436 18.086 1.00 32.25 N ATOM 873 CA PRO A 64 0.975 -15.413 18.727 1.00 40.13 C ATOM 874 C PRO A 64 1.571 -14.016 18.595 1.00 51.54 C ATOM 875 O PRO A 64 2.466 -13.787 17.780 1.00 12.40 O ATOM 876 CB PRO A 64 0.947 -15.846 20.195 1.00 42.13 C ATOM 877 CG PRO A 64 2.197 -16.635 20.381 1.00 43.43 C ATOM 878 CD PRO A 64 2.451 -17.324 19.069 1.00 71.32 C ATOM 0 HA PRO A 64 -0.012 -15.346 18.270 1.00 40.13 H new ATOM 0 HB2 PRO A 64 0.920 -14.984 20.862 1.00 42.13 H new ATOM 0 HB3 PRO A 64 0.064 -16.446 20.414 1.00 42.13 H new ATOM 0 HG2 PRO A 64 3.031 -15.987 20.649 1.00 43.43 H new ATOM 0 HG3 PRO A 64 2.085 -17.360 21.187 1.00 43.43 H new ATOM 0 HD2 PRO A 64 3.518 -17.434 18.873 1.00 71.32 H new ATOM 0 HD3 PRO A 64 2.019 -18.324 19.050 1.00 71.32 H new ATOM 886 N CYS A 65 1.070 -13.086 19.400 1.00 50.51 N ATOM 887 CA CYS A 65 1.553 -11.709 19.372 1.00 22.55 C ATOM 888 C CYS A 65 3.076 -11.669 19.302 1.00 62.43 C ATOM 889 O CYS A 65 3.762 -12.181 20.185 1.00 21.14 O ATOM 890 CB CYS A 65 1.068 -10.952 20.609 1.00 11.21 C ATOM 891 SG CYS A 65 0.840 -9.178 20.346 1.00 50.44 S ATOM 0 H CYS A 65 0.330 -13.260 20.080 1.00 50.51 H new ATOM 0 HA CYS A 65 1.153 -11.227 18.480 1.00 22.55 H new ATOM 0 HB2 CYS A 65 0.123 -11.384 20.939 1.00 11.21 H new ATOM 0 HB3 CYS A 65 1.785 -11.100 21.416 1.00 11.21 H new ATOM 0 HG CYS A 65 0.722 -8.581 21.495 1.00 50.44 H new ATOM 897 N ASN A 66 3.598 -11.059 18.243 1.00 43.12 N ATOM 898 CA ASN A 66 5.041 -10.954 18.055 1.00 32.02 C ATOM 899 C ASN A 66 5.742 -10.668 19.379 1.00 2.15 C ATOM 900 O ASN A 66 6.909 -11.014 19.562 1.00 51.20 O ATOM 901 CB ASN A 66 5.366 -9.852 17.045 1.00 72.24 C ATOM 902 CG ASN A 66 6.699 -10.074 16.356 1.00 11.24 C ATOM 903 OD1 ASN A 66 6.969 -9.498 15.302 1.00 3.15 O ATOM 904 ND2 ASN A 66 7.539 -10.912 16.951 1.00 24.32 N ATOM 0 H ASN A 66 3.044 -10.630 17.502 1.00 43.12 H new ATOM 0 HA ASN A 66 5.403 -11.908 17.671 1.00 32.02 H new ATOM 0 HB2 ASN A 66 4.576 -9.805 16.295 1.00 72.24 H new ATOM 0 HB3 ASN A 66 5.379 -8.888 17.554 1.00 72.24 H new ATOM 0 HD21 ASN A 66 8.451 -11.101 16.535 1.00 24.32 H new ATOM 0 HD22 ASN A 66 7.273 -11.367 17.824 1.00 24.32 H new ATOM 911 N GLU A 67 5.022 -10.035 20.300 1.00 53.31 N ATOM 912 CA GLU A 67 5.576 -9.702 21.607 1.00 33.32 C ATOM 913 C GLU A 67 5.529 -10.909 22.540 1.00 3.35 C ATOM 914 O GLU A 67 4.668 -10.997 23.416 1.00 4.32 O ATOM 915 CB GLU A 67 4.809 -8.533 22.228 1.00 34.25 C ATOM 916 CG GLU A 67 3.356 -8.854 22.539 1.00 63.41 C ATOM 917 CD GLU A 67 3.055 -8.816 24.025 1.00 61.24 C ATOM 918 OE1 GLU A 67 2.439 -9.778 24.529 1.00 21.43 O ATOM 919 OE2 GLU A 67 3.435 -7.825 24.682 1.00 33.02 O ATOM 0 H GLU A 67 4.054 -9.743 20.165 1.00 53.31 H new ATOM 0 HA GLU A 67 6.617 -9.411 21.469 1.00 33.32 H new ATOM 0 HB2 GLU A 67 5.310 -8.228 23.147 1.00 34.25 H new ATOM 0 HB3 GLU A 67 4.847 -7.682 21.547 1.00 34.25 H new ATOM 0 HG2 GLU A 67 2.712 -8.142 22.023 1.00 63.41 H new ATOM 0 HG3 GLU A 67 3.115 -9.843 22.148 1.00 63.41 H new ATOM 926 N ASP A 68 6.461 -11.836 22.346 1.00 54.21 N ATOM 927 CA ASP A 68 6.527 -13.037 23.170 1.00 63.33 C ATOM 928 C ASP A 68 6.413 -12.688 24.650 1.00 22.13 C ATOM 929 O ASP A 68 7.401 -12.723 25.385 1.00 12.20 O ATOM 930 CB ASP A 68 7.834 -13.788 22.909 1.00 21.13 C ATOM 931 CG ASP A 68 7.777 -15.229 23.378 1.00 5.31 C ATOM 932 OD1 ASP A 68 7.194 -15.481 24.453 1.00 1.44 O ATOM 933 OD2 ASP A 68 8.316 -16.104 22.669 1.00 33.42 O ATOM 0 H ASP A 68 7.181 -11.779 21.626 1.00 54.21 H new ATOM 0 HA ASP A 68 5.688 -13.679 22.902 1.00 63.33 H new ATOM 0 HB2 ASP A 68 8.056 -13.765 21.842 1.00 21.13 H new ATOM 0 HB3 ASP A 68 8.652 -13.276 23.416 1.00 21.13 H new ATOM 938 N HIS A 69 5.202 -12.350 25.082 1.00 60.52 N ATOM 939 CA HIS A 69 4.959 -11.994 26.475 1.00 32.12 C ATOM 940 C HIS A 69 3.660 -12.618 26.977 1.00 52.23 C ATOM 941 O HIS A 69 2.804 -13.039 26.198 1.00 21.22 O ATOM 942 CB HIS A 69 4.902 -10.474 26.633 1.00 65.35 C ATOM 943 CG HIS A 69 6.064 -9.764 26.008 1.00 31.11 C ATOM 944 ND1 HIS A 69 6.209 -9.612 24.645 1.00 31.33 N ATOM 945 CD2 HIS A 69 7.138 -9.161 26.569 1.00 41.22 C ATOM 946 CE1 HIS A 69 7.323 -8.948 24.395 1.00 60.14 C ATOM 947 NE2 HIS A 69 7.905 -8.662 25.545 1.00 3.11 N ATOM 0 H HIS A 69 4.374 -12.315 24.487 1.00 60.52 H new ATOM 0 HA HIS A 69 5.783 -12.383 27.072 1.00 32.12 H new ATOM 0 HB2 HIS A 69 3.978 -10.105 26.187 1.00 65.35 H new ATOM 0 HB3 HIS A 69 4.864 -10.228 27.694 1.00 65.35 H new ATOM 0 HD2 HIS A 69 7.352 -9.086 27.625 1.00 41.22 H new ATOM 0 HE1 HIS A 69 7.695 -8.684 23.416 1.00 60.14 H new ATOM 0 HE2 HIS A 69 8.782 -8.153 25.655 1.00 3.11 H new ATOM 955 N PRO A 70 3.508 -12.680 28.308 1.00 52.21 N ATOM 956 CA PRO A 70 2.316 -13.251 28.943 1.00 42.32 C ATOM 957 C PRO A 70 1.080 -12.380 28.744 1.00 70.43 C ATOM 958 O PRO A 70 0.230 -12.281 29.630 1.00 42.24 O ATOM 959 CB PRO A 70 2.697 -13.308 30.424 1.00 33.13 C ATOM 960 CG PRO A 70 3.727 -12.245 30.592 1.00 30.23 C ATOM 961 CD PRO A 70 4.487 -12.197 29.296 1.00 41.32 C ATOM 0 HA PRO A 70 2.052 -14.220 28.519 1.00 42.32 H new ATOM 0 HB2 PRO A 70 1.832 -13.126 31.062 1.00 33.13 H new ATOM 0 HB3 PRO A 70 3.092 -14.288 30.694 1.00 33.13 H new ATOM 0 HG2 PRO A 70 3.263 -11.283 30.808 1.00 30.23 H new ATOM 0 HG3 PRO A 70 4.391 -12.473 31.426 1.00 30.23 H new ATOM 0 HD2 PRO A 70 4.825 -11.187 29.066 1.00 41.32 H new ATOM 0 HD3 PRO A 70 5.373 -12.831 29.326 1.00 41.32 H new ATOM 969 N CYS A 71 0.986 -11.753 27.577 1.00 73.13 N ATOM 970 CA CYS A 71 -0.148 -10.890 27.262 1.00 64.43 C ATOM 971 C CYS A 71 -0.615 -11.109 25.826 1.00 3.13 C ATOM 972 O CYS A 71 0.124 -10.851 24.876 1.00 43.14 O ATOM 973 CB CYS A 71 0.228 -9.423 27.471 1.00 45.23 C ATOM 974 SG CYS A 71 1.424 -9.149 28.800 1.00 73.15 S ATOM 0 H CYS A 71 1.680 -11.826 26.833 1.00 73.13 H new ATOM 0 HA CYS A 71 -0.967 -11.147 27.934 1.00 64.43 H new ATOM 0 HB2 CYS A 71 0.637 -9.028 26.541 1.00 45.23 H new ATOM 0 HB3 CYS A 71 -0.676 -8.855 27.688 1.00 45.23 H new ATOM 0 HG CYS A 71 2.610 -8.995 28.291 1.00 73.15 H new ATOM 980 N HIS A 72 -1.846 -11.587 25.676 1.00 23.54 N ATOM 981 CA HIS A 72 -2.412 -11.842 24.356 1.00 24.14 C ATOM 982 C HIS A 72 -2.960 -10.557 23.743 1.00 21.13 C ATOM 983 O HIS A 72 -4.165 -10.427 23.523 1.00 4.25 O ATOM 984 CB HIS A 72 -3.520 -12.891 24.447 1.00 32.21 C ATOM 985 CG HIS A 72 -3.162 -14.068 25.301 1.00 35.24 C ATOM 986 ND1 HIS A 72 -2.018 -14.814 25.114 1.00 4.34 N ATOM 987 CD2 HIS A 72 -3.805 -14.626 26.354 1.00 74.43 C ATOM 988 CE1 HIS A 72 -1.973 -15.781 26.013 1.00 3.44 C ATOM 989 NE2 HIS A 72 -3.046 -15.689 26.778 1.00 2.31 N ATOM 0 H HIS A 72 -2.471 -11.806 26.452 1.00 23.54 H new ATOM 0 HA HIS A 72 -1.617 -12.220 23.713 1.00 24.14 H new ATOM 0 HB2 HIS A 72 -4.420 -12.423 24.846 1.00 32.21 H new ATOM 0 HB3 HIS A 72 -3.761 -13.241 23.443 1.00 32.21 H new ATOM 0 HD2 HIS A 72 -4.741 -14.296 26.781 1.00 74.43 H new ATOM 0 HE1 HIS A 72 -1.192 -16.521 26.107 1.00 3.44 H new ATOM 0 HE2 HIS A 72 -3.274 -16.307 27.557 1.00 2.31 H new ATOM 997 N HIS A 73 -2.068 -9.610 23.470 1.00 51.10 N ATOM 998 CA HIS A 73 -2.463 -8.335 22.882 1.00 11.33 C ATOM 999 C HIS A 73 -1.258 -7.616 22.283 1.00 60.54 C ATOM 1000 O HIS A 73 -0.130 -7.783 22.747 1.00 5.02 O ATOM 1001 CB HIS A 73 -3.128 -7.448 23.935 1.00 1.15 C ATOM 1002 CG HIS A 73 -4.621 -7.565 23.961 1.00 42.41 C ATOM 1003 ND1 HIS A 73 -5.314 -8.121 25.015 1.00 14.41 N ATOM 1004 CD2 HIS A 73 -5.554 -7.191 23.054 1.00 64.31 C ATOM 1005 CE1 HIS A 73 -6.609 -8.086 24.755 1.00 50.13 C ATOM 1006 NE2 HIS A 73 -6.781 -7.526 23.571 1.00 70.33 N ATOM 0 H HIS A 73 -1.068 -9.701 23.646 1.00 51.10 H new ATOM 0 HA HIS A 73 -3.177 -8.537 22.084 1.00 11.33 H new ATOM 0 HB2 HIS A 73 -2.734 -7.708 24.918 1.00 1.15 H new ATOM 0 HB3 HIS A 73 -2.856 -6.409 23.747 1.00 1.15 H new ATOM 0 HD2 HIS A 73 -5.368 -6.717 22.101 1.00 64.31 H new ATOM 0 HE1 HIS A 73 -7.393 -8.453 25.401 1.00 50.13 H new ATOM 0 HE2 HIS A 73 -7.680 -7.368 23.115 1.00 70.33 H new ATOM 1014 N CYS A 74 -1.505 -6.819 21.249 1.00 23.31 N ATOM 1015 CA CYS A 74 -0.439 -6.077 20.585 1.00 54.23 C ATOM 1016 C CYS A 74 0.677 -5.733 21.565 1.00 22.43 C ATOM 1017 O CYS A 74 0.448 -5.622 22.770 1.00 34.51 O ATOM 1018 CB CYS A 74 -0.995 -4.797 19.958 1.00 73.53 C ATOM 1019 SG CYS A 74 -2.635 -4.332 20.561 1.00 10.00 S ATOM 0 H CYS A 74 -2.433 -6.670 20.853 1.00 23.31 H new ATOM 0 HA CYS A 74 -0.025 -6.709 19.799 1.00 54.23 H new ATOM 0 HB2 CYS A 74 -0.302 -3.979 20.154 1.00 73.53 H new ATOM 0 HB3 CYS A 74 -1.040 -4.925 18.876 1.00 73.53 H new ATOM 0 HG CYS A 74 -3.019 -3.237 19.975 1.00 10.00 H new ATOM 1025 N HIS A 75 1.888 -5.568 21.041 1.00 13.34 N ATOM 1026 CA HIS A 75 3.041 -5.238 21.871 1.00 2.10 C ATOM 1027 C HIS A 75 2.612 -4.467 23.116 1.00 64.20 C ATOM 1028 O HIS A 75 2.377 -3.261 23.059 1.00 13.23 O ATOM 1029 CB HIS A 75 4.053 -4.416 21.071 1.00 32.35 C ATOM 1030 CG HIS A 75 5.144 -3.828 21.912 1.00 41.24 C ATOM 1031 ND1 HIS A 75 4.990 -2.667 22.640 1.00 23.33 N ATOM 1032 CD2 HIS A 75 6.411 -4.247 22.138 1.00 30.30 C ATOM 1033 CE1 HIS A 75 6.116 -2.397 23.277 1.00 32.52 C ATOM 1034 NE2 HIS A 75 6.994 -3.341 22.990 1.00 71.34 N ATOM 0 H HIS A 75 2.096 -5.657 20.046 1.00 13.34 H new ATOM 0 HA HIS A 75 3.509 -6.170 22.186 1.00 2.10 H new ATOM 0 HB2 HIS A 75 4.498 -5.049 20.304 1.00 32.35 H new ATOM 0 HB3 HIS A 75 3.529 -3.611 20.555 1.00 32.35 H new ATOM 0 HD2 HIS A 75 6.877 -5.130 21.725 1.00 30.30 H new ATOM 0 HE1 HIS A 75 6.289 -1.549 23.923 1.00 32.52 H new ATOM 0 HE2 HIS A 75 7.950 -3.389 23.344 1.00 71.34 H new ATOM 1042 N GLU A 76 2.513 -5.173 24.238 1.00 1.12 N ATOM 1043 CA GLU A 76 2.111 -4.554 25.496 1.00 70.21 C ATOM 1044 C GLU A 76 2.348 -5.501 26.669 1.00 65.34 C ATOM 1045 O GLU A 76 2.088 -6.700 26.574 1.00 54.05 O ATOM 1046 CB GLU A 76 0.636 -4.151 25.443 1.00 40.43 C ATOM 1047 CG GLU A 76 0.124 -3.543 26.738 1.00 20.50 C ATOM 1048 CD GLU A 76 -1.270 -2.963 26.599 1.00 2.32 C ATOM 1049 OE1 GLU A 76 -1.910 -3.202 25.554 1.00 41.43 O ATOM 1050 OE2 GLU A 76 -1.720 -2.270 27.535 1.00 14.31 O ATOM 0 H GLU A 76 2.705 -6.173 24.302 1.00 1.12 H new ATOM 0 HA GLU A 76 2.720 -3.662 25.643 1.00 70.21 H new ATOM 0 HB2 GLU A 76 0.493 -3.435 24.634 1.00 40.43 H new ATOM 0 HB3 GLU A 76 0.037 -5.029 25.202 1.00 40.43 H new ATOM 0 HG2 GLU A 76 0.120 -4.306 27.517 1.00 20.50 H new ATOM 0 HG3 GLU A 76 0.809 -2.760 27.063 1.00 20.50 H new ATOM 1057 N GLU A 77 2.846 -4.953 27.773 1.00 34.20 N ATOM 1058 CA GLU A 77 3.120 -5.750 28.963 1.00 13.54 C ATOM 1059 C GLU A 77 2.244 -5.303 30.130 1.00 10.55 C ATOM 1060 O GLU A 77 2.709 -4.620 31.044 1.00 61.42 O ATOM 1061 CB GLU A 77 4.596 -5.640 29.348 1.00 25.05 C ATOM 1062 CG GLU A 77 4.942 -6.355 30.644 1.00 64.23 C ATOM 1063 CD GLU A 77 5.388 -5.402 31.736 1.00 51.15 C ATOM 1064 OE1 GLU A 77 6.160 -4.469 31.429 1.00 55.20 O ATOM 1065 OE2 GLU A 77 4.966 -5.589 32.896 1.00 53.43 O ATOM 0 H GLU A 77 3.068 -3.962 27.868 1.00 34.20 H new ATOM 0 HA GLU A 77 2.888 -6.790 28.734 1.00 13.54 H new ATOM 0 HB2 GLU A 77 5.205 -6.051 28.542 1.00 25.05 H new ATOM 0 HB3 GLU A 77 4.861 -4.587 29.442 1.00 25.05 H new ATOM 0 HG2 GLU A 77 4.073 -6.915 30.989 1.00 64.23 H new ATOM 0 HG3 GLU A 77 5.734 -7.080 30.454 1.00 64.23 H new ATOM 1072 N ASP A 78 0.974 -5.691 30.092 1.00 23.44 N ATOM 1073 CA ASP A 78 0.033 -5.332 31.146 1.00 14.22 C ATOM 1074 C ASP A 78 -1.004 -6.432 31.347 1.00 74.50 C ATOM 1075 O ASP A 78 -2.145 -6.163 31.725 1.00 24.34 O ATOM 1076 CB ASP A 78 -0.664 -4.013 30.809 1.00 52.23 C ATOM 1077 CG ASP A 78 0.183 -2.805 31.157 1.00 41.24 C ATOM 1078 OD1 ASP A 78 0.014 -1.753 30.504 1.00 64.42 O ATOM 1079 OD2 ASP A 78 1.014 -2.910 32.082 1.00 23.52 O ATOM 0 H ASP A 78 0.573 -6.254 29.342 1.00 23.44 H new ATOM 0 HA ASP A 78 0.593 -5.212 32.073 1.00 14.22 H new ATOM 0 HB2 ASP A 78 -0.901 -3.992 29.745 1.00 52.23 H new ATOM 0 HB3 ASP A 78 -1.610 -3.957 31.348 1.00 52.23 H new ATOM 1084 N ASP A 79 -0.601 -7.672 31.090 1.00 13.11 N ATOM 1085 CA ASP A 79 -1.495 -8.814 31.242 1.00 14.25 C ATOM 1086 C ASP A 79 -0.811 -9.941 32.009 1.00 71.41 C ATOM 1087 O ASP A 79 0.413 -9.969 32.131 1.00 72.21 O ATOM 1088 CB ASP A 79 -1.954 -9.316 29.872 1.00 24.45 C ATOM 1089 CG ASP A 79 -3.356 -9.891 29.906 1.00 60.20 C ATOM 1090 OD1 ASP A 79 -4.192 -9.372 30.675 1.00 52.01 O ATOM 1091 OD2 ASP A 79 -3.618 -10.860 29.163 1.00 43.33 O ATOM 0 H ASP A 79 0.339 -7.912 30.775 1.00 13.11 H new ATOM 0 HA ASP A 79 -2.366 -8.489 31.811 1.00 14.25 H new ATOM 0 HB2 ASP A 79 -1.919 -8.494 29.157 1.00 24.45 H new ATOM 0 HB3 ASP A 79 -1.260 -10.078 29.516 1.00 24.45 H new ATOM 1096 N GLY A 80 -1.611 -10.870 32.525 1.00 3.00 N ATOM 1097 CA GLY A 80 -1.064 -11.986 33.274 1.00 33.23 C ATOM 1098 C GLY A 80 -2.130 -12.976 33.700 1.00 15.14 C ATOM 1099 O GLY A 80 -2.322 -14.007 33.056 1.00 34.55 O ATOM 0 H GLY A 80 -2.627 -10.869 32.438 1.00 3.00 H new ATOM 0 HA2 GLY A 80 -0.319 -12.498 32.665 1.00 33.23 H new ATOM 0 HA3 GLY A 80 -0.549 -11.609 34.157 1.00 33.23 H new ATOM 1103 N ASP A 81 -2.825 -12.663 34.789 1.00 44.00 N ATOM 1104 CA ASP A 81 -3.877 -13.533 35.301 1.00 1.01 C ATOM 1105 C ASP A 81 -5.254 -12.932 35.039 1.00 14.12 C ATOM 1106 O ASP A 81 -5.377 -11.885 34.402 1.00 64.45 O ATOM 1107 CB ASP A 81 -3.687 -13.771 36.800 1.00 11.30 C ATOM 1108 CG ASP A 81 -3.902 -15.220 37.188 1.00 34.32 C ATOM 1109 OD1 ASP A 81 -5.062 -15.681 37.142 1.00 74.30 O ATOM 1110 OD2 ASP A 81 -2.911 -15.894 37.537 1.00 21.13 O ATOM 0 H ASP A 81 -2.678 -11.813 35.334 1.00 44.00 H new ATOM 0 HA ASP A 81 -3.812 -14.487 34.779 1.00 1.01 H new ATOM 0 HB2 ASP A 81 -2.681 -13.466 37.089 1.00 11.30 H new ATOM 0 HB3 ASP A 81 -4.383 -13.142 37.356 1.00 11.30 H new ATOM 1115 N THR A 82 -6.291 -13.601 35.535 1.00 64.32 N ATOM 1116 CA THR A 82 -7.659 -13.135 35.353 1.00 74.13 C ATOM 1117 C THR A 82 -7.772 -11.639 35.625 1.00 64.44 C ATOM 1118 O THR A 82 -8.005 -10.848 34.711 1.00 40.23 O ATOM 1119 CB THR A 82 -8.637 -13.888 36.275 1.00 4.23 C ATOM 1120 OG1 THR A 82 -8.341 -15.289 36.263 1.00 54.11 O ATOM 1121 CG2 THR A 82 -10.076 -13.664 35.837 1.00 50.20 C ATOM 0 H THR A 82 -6.208 -14.468 36.066 1.00 64.32 H new ATOM 0 HA THR A 82 -7.924 -13.334 34.315 1.00 74.13 H new ATOM 0 HB THR A 82 -8.519 -13.501 37.287 1.00 4.23 H new ATOM 0 HG1 THR A 82 -8.966 -15.760 36.853 1.00 54.11 H new ATOM 0 HG21 THR A 82 -10.748 -14.206 36.503 1.00 50.20 H new ATOM 0 HG22 THR A 82 -10.307 -12.599 35.876 1.00 50.20 H new ATOM 0 HG23 THR A 82 -10.207 -14.026 34.817 1.00 50.20 H new ATOM 1129 N HIS A 83 -7.603 -11.258 36.887 1.00 53.22 N ATOM 1130 CA HIS A 83 -7.684 -9.855 37.279 1.00 74.23 C ATOM 1131 C HIS A 83 -6.912 -8.973 36.303 1.00 42.22 C ATOM 1132 O HIS A 83 -7.426 -7.961 35.825 1.00 12.21 O ATOM 1133 CB HIS A 83 -7.140 -9.667 38.695 1.00 32.21 C ATOM 1134 CG HIS A 83 -7.902 -10.429 39.736 1.00 52.44 C ATOM 1135 ND1 HIS A 83 -9.097 -11.067 39.477 1.00 42.02 N ATOM 1136 CD2 HIS A 83 -7.633 -10.654 41.043 1.00 44.42 C ATOM 1137 CE1 HIS A 83 -9.530 -11.650 40.580 1.00 21.12 C ATOM 1138 NE2 HIS A 83 -8.659 -11.415 41.545 1.00 12.22 N ATOM 0 H HIS A 83 -7.409 -11.900 37.655 1.00 53.22 H new ATOM 0 HA HIS A 83 -8.732 -9.557 37.259 1.00 74.23 H new ATOM 0 HB2 HIS A 83 -6.096 -9.980 38.719 1.00 32.21 H new ATOM 0 HB3 HIS A 83 -7.160 -8.606 38.945 1.00 32.21 H new ATOM 0 HD2 HIS A 83 -6.771 -10.300 41.590 1.00 44.42 H new ATOM 0 HE1 HIS A 83 -10.441 -12.222 40.677 1.00 21.12 H new ATOM 0 HE2 HIS A 83 -8.736 -11.745 42.507 1.00 12.22 H new ATOM 1146 N CYS A 84 -5.676 -9.362 36.012 1.00 24.42 N ATOM 1147 CA CYS A 84 -4.831 -8.606 35.094 1.00 14.23 C ATOM 1148 C CYS A 84 -5.557 -8.343 33.779 1.00 15.11 C ATOM 1149 O CYS A 84 -5.467 -7.252 33.215 1.00 15.23 O ATOM 1150 CB CYS A 84 -3.527 -9.359 34.829 1.00 33.42 C ATOM 1151 SG CYS A 84 -2.339 -9.279 36.189 1.00 23.24 S ATOM 0 H CYS A 84 -5.236 -10.197 36.399 1.00 24.42 H new ATOM 0 HA CYS A 84 -4.600 -7.648 35.559 1.00 14.23 H new ATOM 0 HB2 CYS A 84 -3.759 -10.404 34.624 1.00 33.42 H new ATOM 0 HB3 CYS A 84 -3.062 -8.954 33.930 1.00 33.42 H new ATOM 0 HG CYS A 84 -1.270 -9.947 35.871 1.00 23.24 H new ATOM 1157 N HIS A 85 -6.276 -9.351 33.294 1.00 11.42 N ATOM 1158 CA HIS A 85 -7.017 -9.229 32.044 1.00 53.22 C ATOM 1159 C HIS A 85 -8.155 -8.222 32.183 1.00 52.04 C ATOM 1160 O HIS A 85 -8.490 -7.514 31.232 1.00 72.42 O ATOM 1161 CB HIS A 85 -7.573 -10.589 31.621 1.00 31.13 C ATOM 1162 CG HIS A 85 -6.515 -11.568 31.213 1.00 13.24 C ATOM 1163 ND1 HIS A 85 -5.288 -11.652 31.836 1.00 61.40 N ATOM 1164 CD2 HIS A 85 -6.507 -12.508 30.240 1.00 34.40 C ATOM 1165 CE1 HIS A 85 -4.570 -12.601 31.262 1.00 31.41 C ATOM 1166 NE2 HIS A 85 -5.288 -13.137 30.291 1.00 45.21 N ATOM 0 H HIS A 85 -6.361 -10.261 33.748 1.00 11.42 H new ATOM 0 HA HIS A 85 -6.330 -8.871 31.277 1.00 53.22 H new ATOM 0 HB2 HIS A 85 -8.147 -11.010 32.446 1.00 31.13 H new ATOM 0 HB3 HIS A 85 -8.265 -10.447 30.791 1.00 31.13 H new ATOM 0 HD1 HIS A 85 -4.982 -11.072 32.618 1.00 61.40 H new ATOM 0 HD2 HIS A 85 -7.310 -12.723 29.551 1.00 34.40 H new ATOM 0 HE1 HIS A 85 -3.567 -12.890 31.539 1.00 31.41 H new ATOM 1174 N CYS A 86 -8.745 -8.164 33.371 1.00 13.22 N ATOM 1175 CA CYS A 86 -9.847 -7.245 33.634 1.00 41.42 C ATOM 1176 C CYS A 86 -9.337 -5.815 33.789 1.00 33.54 C ATOM 1177 O CYS A 86 -10.038 -4.857 33.464 1.00 63.14 O ATOM 1178 CB CYS A 86 -10.604 -7.669 34.893 1.00 24.02 C ATOM 1179 SG CYS A 86 -11.721 -9.069 34.646 1.00 12.24 S ATOM 0 H CYS A 86 -8.479 -8.742 34.168 1.00 13.22 H new ATOM 0 HA CYS A 86 -10.527 -7.279 32.783 1.00 41.42 H new ATOM 0 HB2 CYS A 86 -9.883 -7.926 35.669 1.00 24.02 H new ATOM 0 HB3 CYS A 86 -11.179 -6.820 35.262 1.00 24.02 H new ATOM 0 HG CYS A 86 -12.313 -9.355 35.767 1.00 12.24 H new ATOM 1185 N SER A 87 -8.114 -5.680 34.291 1.00 62.41 N ATOM 1186 CA SER A 87 -7.512 -4.368 34.495 1.00 10.12 C ATOM 1187 C SER A 87 -6.963 -3.812 33.185 1.00 52.03 C ATOM 1188 O SER A 87 -6.827 -2.599 33.021 1.00 3.11 O ATOM 1189 CB SER A 87 -6.393 -4.453 35.535 1.00 42.13 C ATOM 1190 OG SER A 87 -6.877 -4.962 36.765 1.00 32.12 O ATOM 0 H SER A 87 -7.520 -6.463 34.564 1.00 62.41 H new ATOM 0 HA SER A 87 -8.287 -3.693 34.859 1.00 10.12 H new ATOM 0 HB2 SER A 87 -5.594 -5.094 35.162 1.00 42.13 H new ATOM 0 HB3 SER A 87 -5.962 -3.464 35.692 1.00 42.13 H new ATOM 0 HG SER A 87 -7.106 -5.909 36.660 1.00 32.12 H new ATOM 1196 N CYS A 88 -6.650 -4.707 32.255 1.00 74.33 N ATOM 1197 CA CYS A 88 -6.115 -4.308 30.958 1.00 54.31 C ATOM 1198 C CYS A 88 -7.235 -3.870 30.019 1.00 10.13 C ATOM 1199 O CYS A 88 -7.085 -2.909 29.265 1.00 30.31 O ATOM 1200 CB CYS A 88 -5.329 -5.460 30.331 1.00 43.54 C ATOM 1201 SG CYS A 88 -3.841 -4.941 29.444 1.00 4.42 S ATOM 0 H CYS A 88 -6.757 -5.714 32.375 1.00 74.33 H new ATOM 0 HA CYS A 88 -5.445 -3.463 31.114 1.00 54.31 H new ATOM 0 HB2 CYS A 88 -5.045 -6.162 31.115 1.00 43.54 H new ATOM 0 HB3 CYS A 88 -5.981 -5.998 29.642 1.00 43.54 H new ATOM 0 HG CYS A 88 -2.791 -5.435 30.031 1.00 4.42 H new ATOM 1349 N THR A 99 -0.867 3.131 23.608 1.00 33.04 N ATOM 1350 CA THR A 99 -0.530 1.849 23.002 1.00 1.24 C ATOM 1351 C THR A 99 0.575 2.006 21.964 1.00 71.02 C ATOM 1352 O THR A 99 0.725 1.171 21.071 1.00 14.01 O ATOM 1353 CB THR A 99 -1.758 1.203 22.335 1.00 74.31 C ATOM 1354 OG1 THR A 99 -2.939 1.498 23.090 1.00 5.21 O ATOM 1355 CG2 THR A 99 -1.584 -0.305 22.226 1.00 52.44 C ATOM 0 HA THR A 99 -0.180 1.201 23.806 1.00 1.24 H new ATOM 0 HB THR A 99 -1.857 1.616 21.331 1.00 74.31 H new ATOM 0 HG1 THR A 99 -2.755 2.233 23.711 1.00 5.21 H new ATOM 0 HG21 THR A 99 -2.464 -0.739 21.752 1.00 52.44 H new ATOM 0 HG22 THR A 99 -0.701 -0.527 21.626 1.00 52.44 H new ATOM 0 HG23 THR A 99 -1.462 -0.730 23.222 1.00 52.44 H new ATOM 1363 N HIS A 100 1.348 3.081 22.086 1.00 33.42 N ATOM 1364 CA HIS A 100 2.441 3.346 21.158 1.00 71.23 C ATOM 1365 C HIS A 100 3.628 3.975 21.881 1.00 14.22 C ATOM 1366 O HIS A 100 3.599 4.159 23.097 1.00 3.23 O ATOM 1367 CB HIS A 100 1.969 4.266 20.031 1.00 24.40 C ATOM 1368 CG HIS A 100 2.369 3.795 18.667 1.00 62.24 C ATOM 1369 ND1 HIS A 100 3.495 3.034 18.433 1.00 61.21 N ATOM 1370 CD2 HIS A 100 1.785 3.980 17.460 1.00 71.23 C ATOM 1371 CE1 HIS A 100 3.587 2.773 17.141 1.00 20.42 C ATOM 1372 NE2 HIS A 100 2.561 3.335 16.528 1.00 20.04 N ATOM 0 H HIS A 100 1.237 3.782 22.818 1.00 33.42 H new ATOM 0 HA HIS A 100 2.761 2.395 20.731 1.00 71.23 H new ATOM 0 HB2 HIS A 100 0.883 4.351 20.073 1.00 24.40 H new ATOM 0 HB3 HIS A 100 2.374 5.265 20.195 1.00 24.40 H new ATOM 0 HD2 HIS A 100 0.877 4.532 17.266 1.00 71.23 H new ATOM 0 HE1 HIS A 100 4.368 2.198 16.667 1.00 20.42 H new ATOM 0 HE2 HIS A 100 2.375 3.296 15.526 1.00 20.04 H new ATOM 1380 N GLY A 101 4.670 4.303 21.124 1.00 25.32 N ATOM 1381 CA GLY A 101 5.852 4.907 21.711 1.00 64.22 C ATOM 1382 C GLY A 101 6.525 5.892 20.775 1.00 22.34 C ATOM 1383 O GLY A 101 6.997 5.515 19.703 1.00 53.30 O ATOM 0 H GLY A 101 4.717 4.161 20.115 1.00 25.32 H new ATOM 0 HA2 GLY A 101 5.575 5.418 22.633 1.00 64.22 H new ATOM 0 HA3 GLY A 101 6.561 4.124 21.980 1.00 64.22 H new ATOM 1387 N GLU A 102 6.568 7.157 21.182 1.00 62.24 N ATOM 1388 CA GLU A 102 7.186 8.199 20.370 1.00 61.53 C ATOM 1389 C GLU A 102 7.561 9.405 21.226 1.00 62.22 C ATOM 1390 O GLU A 102 7.253 9.455 22.417 1.00 54.32 O ATOM 1391 CB GLU A 102 6.240 8.630 19.248 1.00 53.24 C ATOM 1392 CG GLU A 102 6.779 8.350 17.855 1.00 40.10 C ATOM 1393 CD GLU A 102 8.293 8.277 17.820 1.00 62.43 C ATOM 1394 OE1 GLU A 102 8.826 7.302 17.249 1.00 70.05 O ATOM 1395 OE2 GLU A 102 8.945 9.193 18.363 1.00 61.51 O ATOM 0 H GLU A 102 6.183 7.485 22.068 1.00 62.24 H new ATOM 0 HA GLU A 102 8.096 7.790 19.931 1.00 61.53 H new ATOM 0 HB2 GLU A 102 5.287 8.115 19.370 1.00 53.24 H new ATOM 0 HB3 GLU A 102 6.040 9.697 19.343 1.00 53.24 H new ATOM 0 HG2 GLU A 102 6.365 7.410 17.491 1.00 40.10 H new ATOM 0 HG3 GLU A 102 6.441 9.131 17.175 1.00 40.10 H new ATOM 1402 N CYS A 103 8.230 10.375 20.611 1.00 74.44 N ATOM 1403 CA CYS A 103 8.649 11.581 21.314 1.00 33.43 C ATOM 1404 C CYS A 103 8.589 12.796 20.394 1.00 42.15 C ATOM 1405 O CYS A 103 9.106 12.769 19.276 1.00 4.21 O ATOM 1406 CB CYS A 103 10.067 11.410 21.861 1.00 45.20 C ATOM 1407 SG CYS A 103 10.848 9.823 21.423 1.00 54.53 S ATOM 0 H CYS A 103 8.494 10.349 19.626 1.00 74.44 H new ATOM 0 HA CYS A 103 7.963 11.744 22.145 1.00 33.43 H new ATOM 0 HB2 CYS A 103 10.689 12.224 21.488 1.00 45.20 H new ATOM 0 HB3 CYS A 103 10.039 11.501 22.947 1.00 45.20 H new ATOM 0 HG CYS A 103 10.251 8.856 22.055 1.00 54.53 H new ATOM 1412 N THR A 104 7.955 13.863 20.871 1.00 74.55 N ATOM 1413 CA THR A 104 7.826 15.087 20.091 1.00 2.44 C ATOM 1414 C THR A 104 7.308 16.234 20.951 1.00 1.45 C ATOM 1415 O THR A 104 6.947 17.294 20.440 1.00 43.44 O ATOM 1416 CB THR A 104 6.881 14.893 18.891 1.00 15.21 C ATOM 1417 OG1 THR A 104 6.857 16.079 18.089 1.00 11.21 O ATOM 1418 CG2 THR A 104 5.471 14.564 19.360 1.00 24.21 C ATOM 0 H THR A 104 7.523 13.904 21.794 1.00 74.55 H new ATOM 0 HA THR A 104 8.822 15.333 19.722 1.00 2.44 H new ATOM 0 HB THR A 104 7.253 14.059 18.295 1.00 15.21 H new ATOM 0 HG1 THR A 104 6.896 16.867 18.670 1.00 11.21 H new ATOM 0 HG21 THR A 104 4.821 14.431 18.495 1.00 24.21 H new ATOM 0 HG22 THR A 104 5.488 13.645 19.946 1.00 24.21 H new ATOM 0 HG23 THR A 104 5.093 15.380 19.976 1.00 24.21 H new ATOM 1426 N LYS A 105 7.274 16.017 22.262 1.00 62.42 N ATOM 1427 CA LYS A 105 6.802 17.033 23.195 1.00 61.22 C ATOM 1428 C LYS A 105 7.930 17.495 24.113 1.00 74.54 C ATOM 1429 O LYS A 105 9.061 17.019 24.011 1.00 12.15 O ATOM 1430 CB LYS A 105 5.641 16.488 24.030 1.00 62.21 C ATOM 1431 CG LYS A 105 5.879 15.084 24.559 1.00 10.11 C ATOM 1432 CD LYS A 105 5.025 14.797 25.783 1.00 50.43 C ATOM 1433 CE LYS A 105 5.394 13.467 26.420 1.00 31.35 C ATOM 1434 NZ LYS A 105 4.894 13.365 27.820 1.00 65.13 N ATOM 0 H LYS A 105 7.568 15.145 22.702 1.00 62.42 H new ATOM 0 HA LYS A 105 6.455 17.889 22.616 1.00 61.22 H new ATOM 0 HB2 LYS A 105 5.463 17.159 24.871 1.00 62.21 H new ATOM 0 HB3 LYS A 105 4.736 16.490 23.423 1.00 62.21 H new ATOM 0 HG2 LYS A 105 5.654 14.357 23.779 1.00 10.11 H new ATOM 0 HG3 LYS A 105 6.932 14.963 24.813 1.00 10.11 H new ATOM 0 HD2 LYS A 105 5.151 15.598 26.512 1.00 50.43 H new ATOM 0 HD3 LYS A 105 3.973 14.786 25.499 1.00 50.43 H new ATOM 0 HE2 LYS A 105 4.980 12.652 25.826 1.00 31.35 H new ATOM 0 HE3 LYS A 105 6.477 13.348 26.412 1.00 31.35 H new ATOM 0 HZ1 LYS A 105 5.429 12.631 28.327 1.00 65.13 H new ATOM 0 HZ2 LYS A 105 5.019 14.279 28.301 1.00 65.13 H new ATOM 0 HZ3 LYS A 105 3.885 13.113 27.811 1.00 65.13 H new ATOM 1448 N LYS A 106 7.614 18.423 25.009 1.00 32.01 N ATOM 1449 CA LYS A 106 8.599 18.948 25.947 1.00 32.45 C ATOM 1450 C LYS A 106 9.048 17.867 26.925 1.00 22.35 C ATOM 1451 O LYS A 106 9.833 18.128 27.837 1.00 51.44 O ATOM 1452 CB LYS A 106 8.018 20.137 26.716 1.00 23.44 C ATOM 1453 CG LYS A 106 9.071 20.986 27.407 1.00 13.34 C ATOM 1454 CD LYS A 106 9.010 20.830 28.918 1.00 51.24 C ATOM 1455 CE LYS A 106 9.439 22.105 29.628 1.00 62.04 C ATOM 1456 NZ LYS A 106 9.487 21.928 31.105 1.00 35.14 N ATOM 0 H LYS A 106 6.683 18.828 25.106 1.00 32.01 H new ATOM 0 HA LYS A 106 9.466 19.281 25.377 1.00 32.45 H new ATOM 0 HB2 LYS A 106 7.453 20.764 26.026 1.00 23.44 H new ATOM 0 HB3 LYS A 106 7.314 19.768 27.462 1.00 23.44 H new ATOM 0 HG2 LYS A 106 10.061 20.701 27.051 1.00 13.34 H new ATOM 0 HG3 LYS A 106 8.926 22.033 27.142 1.00 13.34 H new ATOM 0 HD2 LYS A 106 7.995 20.570 29.217 1.00 51.24 H new ATOM 0 HD3 LYS A 106 9.654 20.006 29.226 1.00 51.24 H new ATOM 0 HE2 LYS A 106 10.421 22.409 29.267 1.00 62.04 H new ATOM 0 HE3 LYS A 106 8.746 22.909 29.381 1.00 62.04 H new ATOM 0 HZ1 LYS A 106 9.783 22.819 31.552 1.00 35.14 H new ATOM 0 HZ2 LYS A 106 8.544 21.663 31.454 1.00 35.14 H new ATOM 0 HZ3 LYS A 106 10.167 21.178 31.343 1.00 35.14 H new ATOM 1470 N ALA A 107 8.547 16.652 26.729 1.00 34.21 N ATOM 1471 CA ALA A 107 8.900 15.531 27.592 1.00 55.13 C ATOM 1472 C ALA A 107 9.748 14.508 26.843 1.00 15.23 C ATOM 1473 O ALA A 107 9.915 14.577 25.626 1.00 63.14 O ATOM 1474 CB ALA A 107 7.643 14.875 28.145 1.00 62.33 C ATOM 0 H ALA A 107 7.895 16.419 25.980 1.00 34.21 H new ATOM 0 HA ALA A 107 9.491 15.915 28.423 1.00 55.13 H new ATOM 0 HB1 ALA A 107 7.921 14.040 28.788 1.00 62.33 H new ATOM 0 HB2 ALA A 107 7.076 15.605 28.723 1.00 62.33 H new ATOM 0 HB3 ALA A 107 7.030 14.510 27.321 1.00 62.33 H new ATOM 1480 N PRO A 108 10.297 13.536 27.587 1.00 55.12 N ATOM 1481 CA PRO A 108 11.137 12.480 27.014 1.00 52.30 C ATOM 1482 C PRO A 108 10.338 11.506 26.154 1.00 4.51 C ATOM 1483 O PRO A 108 9.110 11.576 26.096 1.00 3.50 O ATOM 1484 CB PRO A 108 11.700 11.768 28.246 1.00 22.20 C ATOM 1485 CG PRO A 108 10.703 12.027 29.322 1.00 24.14 C ATOM 1486 CD PRO A 108 10.139 13.392 29.044 1.00 53.42 C ATOM 0 HA PRO A 108 11.902 12.883 26.350 1.00 52.30 H new ATOM 0 HB2 PRO A 108 11.819 10.700 28.066 1.00 22.20 H new ATOM 0 HB3 PRO A 108 12.682 12.158 28.514 1.00 22.20 H new ATOM 0 HG2 PRO A 108 9.917 11.272 29.316 1.00 24.14 H new ATOM 0 HG3 PRO A 108 11.172 11.991 30.305 1.00 24.14 H new ATOM 0 HD2 PRO A 108 9.093 13.464 29.344 1.00 53.42 H new ATOM 0 HD3 PRO A 108 10.680 14.168 29.586 1.00 53.42 H new ATOM 1494 N CYS A 109 11.043 10.598 25.488 1.00 51.03 N ATOM 1495 CA CYS A 109 10.400 9.609 24.630 1.00 3.35 C ATOM 1496 C CYS A 109 9.763 8.500 25.462 1.00 12.25 C ATOM 1497 O CYS A 109 10.323 8.066 26.469 1.00 33.30 O ATOM 1498 CB CYS A 109 11.417 9.011 23.656 1.00 33.20 C ATOM 1499 SG CYS A 109 10.883 9.039 21.915 1.00 71.05 S ATOM 0 H CYS A 109 12.060 10.526 25.526 1.00 51.03 H new ATOM 0 HA CYS A 109 9.615 10.110 24.063 1.00 3.35 H new ATOM 0 HB2 CYS A 109 12.356 9.558 23.746 1.00 33.20 H new ATOM 0 HB3 CYS A 109 11.620 7.980 23.946 1.00 33.20 H new ATOM 0 HG CYS A 109 11.382 10.084 21.325 1.00 71.05 H new ATOM 1504 N TRP A 110 8.590 8.047 25.035 1.00 41.45 N ATOM 1505 CA TRP A 110 7.876 6.989 25.740 1.00 63.33 C ATOM 1506 C TRP A 110 7.421 5.901 24.773 1.00 45.24 C ATOM 1507 O TRP A 110 7.285 6.142 23.573 1.00 11.20 O ATOM 1508 CB TRP A 110 6.670 7.566 26.482 1.00 73.32 C ATOM 1509 CG TRP A 110 5.383 6.869 26.157 1.00 64.44 C ATOM 1510 CD1 TRP A 110 4.773 6.801 24.937 1.00 44.24 C ATOM 1511 CD2 TRP A 110 4.549 6.142 27.065 1.00 12.34 C ATOM 1512 NE1 TRP A 110 3.610 6.077 25.032 1.00 32.32 N ATOM 1513 CE2 TRP A 110 3.450 5.661 26.327 1.00 32.44 C ATOM 1514 CE3 TRP A 110 4.624 5.850 28.430 1.00 52.02 C ATOM 1515 CZ2 TRP A 110 2.436 4.905 26.910 1.00 12.22 C ATOM 1516 CZ3 TRP A 110 3.616 5.100 29.007 1.00 44.52 C ATOM 1517 CH2 TRP A 110 2.535 4.634 28.248 1.00 53.31 C ATOM 0 H TRP A 110 8.113 8.396 24.204 1.00 41.45 H new ATOM 0 HA TRP A 110 8.559 6.544 26.463 1.00 63.33 H new ATOM 0 HB2 TRP A 110 6.848 7.502 27.555 1.00 73.32 H new ATOM 0 HB3 TRP A 110 6.574 8.624 26.237 1.00 73.32 H new ATOM 0 HD1 TRP A 110 5.150 7.251 24.030 1.00 44.24 H new ATOM 0 HE1 TRP A 110 2.969 5.881 24.263 1.00 32.32 H new ATOM 0 HE3 TRP A 110 5.454 6.204 29.023 1.00 52.02 H new ATOM 0 HZ2 TRP A 110 1.601 4.545 26.327 1.00 12.22 H new ATOM 0 HZ3 TRP A 110 3.663 4.869 30.061 1.00 44.52 H new ATOM 0 HH2 TRP A 110 1.764 4.049 28.728 1.00 53.31 H new ATOM 1528 N ARG A 111 7.188 4.705 25.302 1.00 63.44 N ATOM 1529 CA ARG A 111 6.750 3.580 24.484 1.00 54.11 C ATOM 1530 C ARG A 111 5.842 2.649 25.282 1.00 24.54 C ATOM 1531 O ARG A 111 5.857 2.657 26.514 1.00 61.21 O ATOM 1532 CB ARG A 111 7.958 2.804 23.956 1.00 54.00 C ATOM 1533 CG ARG A 111 9.279 3.247 24.563 1.00 52.23 C ATOM 1534 CD ARG A 111 9.411 2.788 26.007 1.00 55.45 C ATOM 1535 NE ARG A 111 10.384 1.709 26.151 1.00 10.43 N ATOM 1536 CZ ARG A 111 11.691 1.870 25.975 1.00 12.04 C ATOM 1537 NH1 ARG A 111 12.178 3.060 25.650 1.00 30.53 N ATOM 1538 NH2 ARG A 111 12.513 0.840 26.125 1.00 22.41 N ATOM 0 H ARG A 111 7.295 4.490 26.293 1.00 63.44 H new ATOM 0 HA ARG A 111 6.185 3.975 23.640 1.00 54.11 H new ATOM 0 HB2 ARG A 111 7.813 1.742 24.157 1.00 54.00 H new ATOM 0 HB3 ARG A 111 8.008 2.920 22.873 1.00 54.00 H new ATOM 0 HG2 ARG A 111 10.104 2.844 23.975 1.00 52.23 H new ATOM 0 HG3 ARG A 111 9.356 4.333 24.517 1.00 52.23 H new ATOM 0 HD2 ARG A 111 9.710 3.631 26.630 1.00 55.45 H new ATOM 0 HD3 ARG A 111 8.440 2.452 26.371 1.00 55.45 H new ATOM 0 HE ARG A 111 10.042 0.781 26.400 1.00 10.43 H new ATOM 0 HH11 ARG A 111 11.549 3.854 25.535 1.00 30.53 H new ATOM 0 HH12 ARG A 111 13.182 3.181 25.515 1.00 30.53 H new ATOM 0 HH21 ARG A 111 12.142 -0.076 26.376 1.00 22.41 H new ATOM 0 HH22 ARG A 111 13.516 0.964 25.990 1.00 22.41 H new ATOM 1552 N CYS A 112 5.054 1.848 24.573 1.00 25.15 N ATOM 1553 CA CYS A 112 4.139 0.911 25.216 1.00 44.11 C ATOM 1554 C CYS A 112 4.891 -0.023 26.159 1.00 51.03 C ATOM 1555 O CYS A 112 6.109 -0.168 26.063 1.00 50.11 O ATOM 1556 CB CYS A 112 3.388 0.096 24.162 1.00 24.12 C ATOM 1557 SG CYS A 112 1.799 -0.556 24.728 1.00 44.24 S ATOM 0 H CYS A 112 5.030 1.828 23.553 1.00 25.15 H new ATOM 0 HA CYS A 112 3.420 1.485 25.801 1.00 44.11 H new ATOM 0 HB2 CYS A 112 3.220 0.722 23.286 1.00 24.12 H new ATOM 0 HB3 CYS A 112 4.017 -0.735 23.844 1.00 24.12 H new ATOM 0 HG CYS A 112 1.569 -1.699 24.153 1.00 44.24 H new ATOM 1563 N GLU A 113 4.156 -0.653 27.070 1.00 54.41 N ATOM 1564 CA GLU A 113 4.754 -1.571 28.032 1.00 41.32 C ATOM 1565 C GLU A 113 5.283 -2.821 27.334 1.00 1.34 C ATOM 1566 O GLU A 113 4.729 -3.265 26.329 1.00 71.31 O ATOM 1567 CB GLU A 113 3.731 -1.964 29.100 1.00 43.41 C ATOM 1568 CG GLU A 113 3.408 -0.843 30.074 1.00 74.20 C ATOM 1569 CD GLU A 113 3.974 -1.092 31.458 1.00 2.03 C ATOM 1570 OE1 GLU A 113 3.763 -2.200 31.995 1.00 52.21 O ATOM 1571 OE2 GLU A 113 4.628 -0.180 32.005 1.00 2.41 O ATOM 0 H GLU A 113 3.146 -0.544 27.162 1.00 54.41 H new ATOM 0 HA GLU A 113 5.590 -1.061 28.511 1.00 41.32 H new ATOM 0 HB2 GLU A 113 2.812 -2.285 28.610 1.00 43.41 H new ATOM 0 HB3 GLU A 113 4.111 -2.820 29.657 1.00 43.41 H new ATOM 0 HG2 GLU A 113 3.805 0.095 29.687 1.00 74.20 H new ATOM 0 HG3 GLU A 113 2.326 -0.727 30.143 1.00 74.20 H new ATOM 1721 N CYS A 123 8.821 0.485 20.556 1.00 41.24 N ATOM 1722 CA CYS A 123 7.565 1.172 20.836 1.00 72.55 C ATOM 1723 C CYS A 123 6.375 0.344 20.359 1.00 45.44 C ATOM 1724 O CYS A 123 6.533 -0.796 19.924 1.00 4.32 O ATOM 1725 CB CYS A 123 7.549 2.545 20.163 1.00 61.22 C ATOM 1726 SG CYS A 123 8.108 2.531 18.443 1.00 20.03 S ATOM 0 HA CYS A 123 7.484 1.304 21.915 1.00 72.55 H new ATOM 0 HB2 CYS A 123 6.536 2.945 20.201 1.00 61.22 H new ATOM 0 HB3 CYS A 123 8.181 3.225 20.734 1.00 61.22 H new ATOM 0 HG CYS A 123 8.907 1.523 18.255 1.00 20.03 H new ATOM 1732 N GLY A 124 5.183 0.927 20.444 1.00 3.05 N ATOM 1733 CA GLY A 124 3.984 0.229 20.020 1.00 61.21 C ATOM 1734 C GLY A 124 4.176 -0.510 18.710 1.00 2.31 C ATOM 1735 O GLY A 124 4.690 0.053 17.742 1.00 20.33 O ATOM 0 H GLY A 124 5.027 1.870 20.799 1.00 3.05 H new ATOM 0 HA2 GLY A 124 3.687 -0.480 20.793 1.00 61.21 H new ATOM 0 HA3 GLY A 124 3.169 0.945 19.914 1.00 61.21 H new ATOM 1739 N CYS A 125 3.765 -1.772 18.679 1.00 73.30 N ATOM 1740 CA CYS A 125 3.897 -2.590 17.478 1.00 34.03 C ATOM 1741 C CYS A 125 3.142 -1.965 16.309 1.00 32.45 C ATOM 1742 O CYS A 125 3.219 -2.448 15.180 1.00 3.41 O ATOM 1743 CB CYS A 125 3.377 -4.004 17.740 1.00 75.33 C ATOM 1744 SG CYS A 125 4.634 -5.294 17.584 1.00 3.23 S ATOM 0 H CYS A 125 3.338 -2.252 19.471 1.00 73.30 H new ATOM 0 HA CYS A 125 4.954 -2.642 17.217 1.00 34.03 H new ATOM 0 HB2 CYS A 125 2.954 -4.044 18.744 1.00 75.33 H new ATOM 0 HB3 CYS A 125 2.566 -4.216 17.043 1.00 75.33 H new ATOM 0 HG CYS A 125 4.098 -6.453 17.826 1.00 3.23 H new ATOM 1750 N GLU A 126 2.411 -0.891 16.590 1.00 11.01 N ATOM 1751 CA GLU A 126 1.640 -0.203 15.562 1.00 51.55 C ATOM 1752 C GLU A 126 2.468 0.900 14.908 1.00 53.31 C ATOM 1753 O GLU A 126 1.931 1.922 14.477 1.00 33.35 O ATOM 1754 CB GLU A 126 0.363 0.390 16.161 1.00 1.41 C ATOM 1755 CG GLU A 126 -0.285 -0.496 17.211 1.00 21.23 C ATOM 1756 CD GLU A 126 -1.800 -0.454 17.157 1.00 44.34 C ATOM 1757 OE1 GLU A 126 -2.346 0.534 16.623 1.00 41.44 O ATOM 1758 OE2 GLU A 126 -2.439 -1.408 17.648 1.00 44.44 O ATOM 0 H GLU A 126 2.337 -0.479 17.520 1.00 11.01 H new ATOM 0 HA GLU A 126 1.369 -0.932 14.798 1.00 51.55 H new ATOM 0 HB2 GLU A 126 0.596 1.357 16.607 1.00 1.41 H new ATOM 0 HB3 GLU A 126 -0.353 0.573 15.360 1.00 1.41 H new ATOM 0 HG2 GLU A 126 0.051 -1.523 17.071 1.00 21.23 H new ATOM 0 HG3 GLU A 126 0.048 -0.183 18.201 1.00 21.23 H new ATOM 1765 N CYS A 127 3.777 0.687 14.838 1.00 32.42 N ATOM 1766 CA CYS A 127 4.680 1.662 14.239 1.00 40.54 C ATOM 1767 C CYS A 127 4.377 1.844 12.755 1.00 51.01 C ATOM 1768 O CYS A 127 4.247 0.870 12.014 1.00 63.22 O ATOM 1769 CB CYS A 127 6.134 1.225 14.425 1.00 75.21 C ATOM 1770 SG CYS A 127 6.505 -0.410 13.748 1.00 34.31 S ATOM 0 H CYS A 127 4.237 -0.153 15.189 1.00 32.42 H new ATOM 0 HA CYS A 127 4.529 2.617 14.742 1.00 40.54 H new ATOM 0 HB2 CYS A 127 6.786 1.959 13.952 1.00 75.21 H new ATOM 0 HB3 CYS A 127 6.370 1.228 15.489 1.00 75.21 H new ATOM 0 HG CYS A 127 5.757 -0.629 12.708 1.00 34.31 H new ATOM 1776 N SER A 128 4.264 3.098 12.328 1.00 34.15 N ATOM 1777 CA SER A 128 3.970 3.407 10.934 1.00 0.41 C ATOM 1778 C SER A 128 5.219 3.906 10.214 1.00 40.42 C ATOM 1779 O SER A 128 6.301 3.975 10.797 1.00 62.51 O ATOM 1780 CB SER A 128 2.862 4.459 10.845 1.00 21.34 C ATOM 1781 OG SER A 128 2.163 4.360 9.617 1.00 74.00 O ATOM 0 H SER A 128 4.372 3.916 12.928 1.00 34.15 H new ATOM 0 HA SER A 128 3.632 2.492 10.448 1.00 0.41 H new ATOM 0 HB2 SER A 128 2.167 4.330 11.674 1.00 21.34 H new ATOM 0 HB3 SER A 128 3.293 5.455 10.942 1.00 21.34 H new ATOM 0 HG SER A 128 1.287 4.791 9.704 1.00 74.00 H new ATOM 1787 N LYS A 129 5.061 4.255 8.941 1.00 30.43 N ATOM 1788 CA LYS A 129 6.174 4.749 8.139 1.00 74.10 C ATOM 1789 C LYS A 129 5.957 6.208 7.749 1.00 63.40 C ATOM 1790 O LYS A 129 5.977 6.554 6.567 1.00 3.42 O ATOM 1791 CB LYS A 129 6.342 3.893 6.881 1.00 0.34 C ATOM 1792 CG LYS A 129 7.648 4.142 6.147 1.00 22.21 C ATOM 1793 CD LYS A 129 8.822 3.494 6.862 1.00 10.14 C ATOM 1794 CE LYS A 129 9.985 3.247 5.914 1.00 42.11 C ATOM 1795 NZ LYS A 129 10.554 1.881 6.078 1.00 72.43 N ATOM 0 H LYS A 129 4.172 4.205 8.443 1.00 30.43 H new ATOM 0 HA LYS A 129 7.081 4.683 8.740 1.00 74.10 H new ATOM 0 HB2 LYS A 129 6.285 2.840 7.158 1.00 0.34 H new ATOM 0 HB3 LYS A 129 5.511 4.090 6.204 1.00 0.34 H new ATOM 0 HG2 LYS A 129 7.577 3.749 5.133 1.00 22.21 H new ATOM 0 HG3 LYS A 129 7.820 5.215 6.062 1.00 22.21 H new ATOM 0 HD2 LYS A 129 9.149 4.134 7.681 1.00 10.14 H new ATOM 0 HD3 LYS A 129 8.504 2.549 7.303 1.00 10.14 H new ATOM 0 HE2 LYS A 129 9.649 3.379 4.885 1.00 42.11 H new ATOM 0 HE3 LYS A 129 10.763 3.989 6.093 1.00 42.11 H new ATOM 0 HZ1 LYS A 129 11.386 1.775 5.463 1.00 72.43 H new ATOM 0 HZ2 LYS A 129 10.835 1.739 7.069 1.00 72.43 H new ATOM 0 HZ3 LYS A 129 9.838 1.173 5.816 1.00 72.43 H new ATOM 1809 N LEU A 130 5.752 7.058 8.749 1.00 43.25 N ATOM 1810 CA LEU A 130 5.534 8.481 8.510 1.00 31.30 C ATOM 1811 C LEU A 130 6.648 9.315 9.135 1.00 73.12 C ATOM 1812 O LEU A 130 7.036 9.114 10.286 1.00 51.31 O ATOM 1813 CB LEU A 130 4.180 8.911 9.077 1.00 52.04 C ATOM 1814 CG LEU A 130 3.188 9.500 8.072 1.00 24.32 C ATOM 1815 CD1 LEU A 130 2.075 8.506 7.776 1.00 45.50 C ATOM 1816 CD2 LEU A 130 2.613 10.808 8.595 1.00 61.10 C ATOM 0 H LEU A 130 5.732 6.787 9.732 1.00 43.25 H new ATOM 0 HA LEU A 130 5.540 8.649 7.433 1.00 31.30 H new ATOM 0 HB2 LEU A 130 3.716 8.046 9.551 1.00 52.04 H new ATOM 0 HB3 LEU A 130 4.354 9.649 9.860 1.00 52.04 H new ATOM 0 HG LEU A 130 3.720 9.706 7.143 1.00 24.32 H new ATOM 0 HD11 LEU A 130 1.379 8.942 7.059 1.00 45.50 H new ATOM 0 HD12 LEU A 130 2.503 7.595 7.358 1.00 45.50 H new ATOM 0 HD13 LEU A 130 1.545 8.268 8.698 1.00 45.50 H new ATOM 0 HD21 LEU A 130 1.909 11.213 7.868 1.00 61.10 H new ATOM 0 HD22 LEU A 130 2.096 10.627 9.538 1.00 61.10 H new ATOM 0 HD23 LEU A 130 3.421 11.522 8.755 1.00 61.10 H new ATOM 1828 N PRO A 131 7.174 10.275 8.360 1.00 13.33 N ATOM 1829 CA PRO A 131 8.248 11.161 8.818 1.00 42.32 C ATOM 1830 C PRO A 131 7.775 12.144 9.884 1.00 61.33 C ATOM 1831 O PRO A 131 6.709 12.746 9.758 1.00 54.32 O ATOM 1832 CB PRO A 131 8.658 11.908 7.546 1.00 54.30 C ATOM 1833 CG PRO A 131 7.446 11.875 6.680 1.00 14.13 C ATOM 1834 CD PRO A 131 6.760 10.571 6.978 1.00 34.43 C ATOM 0 HA PRO A 131 9.062 10.607 9.285 1.00 42.32 H new ATOM 0 HB2 PRO A 131 8.958 12.932 7.768 1.00 54.30 H new ATOM 0 HB3 PRO A 131 9.506 11.425 7.059 1.00 54.30 H new ATOM 0 HG2 PRO A 131 6.790 12.719 6.894 1.00 14.13 H new ATOM 0 HG3 PRO A 131 7.717 11.941 5.626 1.00 14.13 H new ATOM 0 HD2 PRO A 131 5.677 10.658 6.893 1.00 34.43 H new ATOM 0 HD3 PRO A 131 7.072 9.786 6.288 1.00 34.43 H new ATOM 1842 N CYS A 132 8.575 12.301 10.933 1.00 12.41 N ATOM 1843 CA CYS A 132 8.238 13.211 12.022 1.00 64.13 C ATOM 1844 C CYS A 132 9.459 14.020 12.451 1.00 53.51 C ATOM 1845 O CYS A 132 10.286 14.401 11.624 1.00 61.22 O ATOM 1846 CB CYS A 132 7.686 12.429 13.215 1.00 11.11 C ATOM 1847 SG CYS A 132 6.358 13.290 14.117 1.00 20.15 S ATOM 0 H CYS A 132 9.461 11.810 11.052 1.00 12.41 H new ATOM 0 HA CYS A 132 7.474 13.901 11.663 1.00 64.13 H new ATOM 0 HB2 CYS A 132 7.309 11.469 12.863 1.00 11.11 H new ATOM 0 HB3 CYS A 132 8.502 12.217 13.906 1.00 11.11 H new ATOM 1852 N ASN A 133 9.563 14.280 13.750 1.00 32.33 N ATOM 1853 CA ASN A 133 10.681 15.044 14.290 1.00 44.10 C ATOM 1854 C ASN A 133 12.013 14.437 13.859 1.00 42.42 C ATOM 1855 O ASN A 133 12.153 13.958 12.734 1.00 63.43 O ATOM 1856 CB ASN A 133 10.602 15.095 15.817 1.00 31.11 C ATOM 1857 CG ASN A 133 11.030 16.439 16.374 1.00 65.20 C ATOM 1858 OD1 ASN A 133 10.445 16.941 17.333 1.00 32.03 O ATOM 1859 ND2 ASN A 133 12.057 17.028 15.773 1.00 64.14 N ATOM 0 H ASN A 133 8.886 13.973 14.448 1.00 32.33 H new ATOM 0 HA ASN A 133 10.619 16.058 13.896 1.00 44.10 H new ATOM 0 HB2 ASN A 133 9.580 14.883 16.132 1.00 31.11 H new ATOM 0 HB3 ASN A 133 11.234 14.313 16.237 1.00 31.11 H new ATOM 0 HD21 ASN A 133 12.391 17.933 16.104 1.00 64.14 H new ATOM 0 HD22 ASN A 133 12.512 16.575 14.981 1.00 64.14 H new ATOM 2085 N ASP A 149 9.667 11.286 17.089 1.00 15.45 N ATOM 2086 CA ASP A 149 8.525 11.258 16.183 1.00 51.04 C ATOM 2087 C ASP A 149 7.213 11.233 16.961 1.00 61.50 C ATOM 2088 O ASP A 149 7.206 11.323 18.189 1.00 14.10 O ATOM 2089 CB ASP A 149 8.609 10.041 15.261 1.00 71.34 C ATOM 2090 CG ASP A 149 10.034 9.565 15.059 1.00 60.43 C ATOM 2091 OD1 ASP A 149 10.383 8.492 15.594 1.00 21.44 O ATOM 2092 OD2 ASP A 149 10.800 10.264 14.364 1.00 2.53 O ATOM 0 HA ASP A 149 8.550 12.165 15.579 1.00 51.04 H new ATOM 0 HB2 ASP A 149 8.014 9.230 15.680 1.00 71.34 H new ATOM 0 HB3 ASP A 149 8.172 10.290 14.294 1.00 71.34 H new ATOM 2097 N CYS A 150 6.105 11.110 16.239 1.00 73.35 N ATOM 2098 CA CYS A 150 4.786 11.074 16.860 1.00 63.21 C ATOM 2099 C CYS A 150 4.062 9.773 16.524 1.00 52.51 C ATOM 2100 O CYS A 150 3.877 9.437 15.354 1.00 22.42 O ATOM 2101 CB CYS A 150 3.950 12.270 16.400 1.00 22.23 C ATOM 2102 SG CYS A 150 4.269 12.784 14.682 1.00 62.31 S ATOM 0 H CYS A 150 6.094 11.033 15.222 1.00 73.35 H new ATOM 0 HA CYS A 150 4.919 11.126 17.941 1.00 63.21 H new ATOM 0 HB2 CYS A 150 2.894 12.022 16.504 1.00 22.23 H new ATOM 0 HB3 CYS A 150 4.146 13.113 17.062 1.00 22.23 H new ATOM 2107 N LYS A 151 3.653 9.046 17.558 1.00 11.41 N ATOM 2108 CA LYS A 151 2.947 7.784 17.375 1.00 61.21 C ATOM 2109 C LYS A 151 1.438 8.003 17.352 1.00 73.45 C ATOM 2110 O LYS A 151 0.873 8.398 16.331 1.00 15.44 O ATOM 2111 CB LYS A 151 3.314 6.804 18.492 1.00 12.10 C ATOM 2112 CG LYS A 151 4.592 6.029 18.226 1.00 65.24 C ATOM 2113 CD LYS A 151 4.860 5.889 16.736 1.00 33.13 C ATOM 2114 CE LYS A 151 6.194 5.209 16.471 1.00 3.20 C ATOM 2115 NZ LYS A 151 6.067 4.104 15.481 1.00 33.02 N ATOM 0 H LYS A 151 3.799 9.310 18.532 1.00 11.41 H new ATOM 0 HA LYS A 151 3.250 7.363 16.416 1.00 61.21 H new ATOM 0 HB2 LYS A 151 3.421 7.355 19.426 1.00 12.10 H new ATOM 0 HB3 LYS A 151 2.494 6.099 18.630 1.00 12.10 H new ATOM 0 HG2 LYS A 151 5.432 6.536 18.702 1.00 65.24 H new ATOM 0 HG3 LYS A 151 4.519 5.040 18.678 1.00 65.24 H new ATOM 0 HD2 LYS A 151 4.059 5.313 16.274 1.00 33.13 H new ATOM 0 HD3 LYS A 151 4.854 6.874 16.270 1.00 33.13 H new ATOM 0 HE2 LYS A 151 6.910 5.945 16.104 1.00 3.20 H new ATOM 0 HE3 LYS A 151 6.593 4.815 17.406 1.00 3.20 H new ATOM 0 HZ1 LYS A 151 6.919 4.072 14.885 1.00 33.02 H new ATOM 0 HZ2 LYS A 151 5.961 3.199 15.982 1.00 33.02 H new ATOM 0 HZ3 LYS A 151 5.232 4.268 14.883 1.00 33.02 H new ATOM 2129 N THR A 152 0.789 7.744 18.483 1.00 60.11 N ATOM 2130 CA THR A 152 -0.654 7.913 18.592 1.00 34.10 C ATOM 2131 C THR A 152 -1.039 9.388 18.570 1.00 64.11 C ATOM 2132 O THR A 152 -2.151 9.743 18.181 1.00 55.24 O ATOM 2133 CB THR A 152 -1.199 7.272 19.882 1.00 31.42 C ATOM 2134 OG1 THR A 152 -0.201 7.312 20.908 1.00 33.14 O ATOM 2135 CG2 THR A 152 -1.621 5.831 19.634 1.00 1.22 C ATOM 0 H THR A 152 1.241 7.416 19.337 1.00 60.11 H new ATOM 0 HA THR A 152 -1.096 7.412 17.731 1.00 34.10 H new ATOM 0 HB THR A 152 -2.072 7.840 20.203 1.00 31.42 H new ATOM 0 HG1 THR A 152 -0.556 6.904 21.725 1.00 33.14 H new ATOM 0 HG21 THR A 152 -2.002 5.399 20.559 1.00 1.22 H new ATOM 0 HG22 THR A 152 -2.401 5.806 18.873 1.00 1.22 H new ATOM 0 HG23 THR A 152 -0.762 5.254 19.292 1.00 1.22 H new ATOM 2143 N ILE A 153 -0.111 10.242 18.989 1.00 53.31 N ATOM 2144 CA ILE A 153 -0.353 11.679 19.015 1.00 13.50 C ATOM 2145 C ILE A 153 0.504 12.400 17.980 1.00 10.21 C ATOM 2146 O ILE A 153 1.665 12.724 18.235 1.00 73.42 O ATOM 2147 CB ILE A 153 -0.066 12.274 20.407 1.00 72.44 C ATOM 2148 CG1 ILE A 153 1.000 11.447 21.128 1.00 21.31 C ATOM 2149 CG2 ILE A 153 -1.344 12.335 21.230 1.00 22.12 C ATOM 2150 CD1 ILE A 153 0.455 10.195 21.781 1.00 43.45 C ATOM 0 H ILE A 153 0.815 9.964 19.315 1.00 53.31 H new ATOM 0 HA ILE A 153 -1.406 11.825 18.777 1.00 13.50 H new ATOM 0 HB ILE A 153 0.311 13.289 20.282 1.00 72.44 H new ATOM 0 HG12 ILE A 153 1.775 11.167 20.415 1.00 21.31 H new ATOM 0 HG13 ILE A 153 1.476 12.066 21.889 1.00 21.31 H new ATOM 0 HG21 ILE A 153 -1.125 12.757 22.211 1.00 22.12 H new ATOM 0 HG22 ILE A 153 -2.076 12.962 20.720 1.00 22.12 H new ATOM 0 HG23 ILE A 153 -1.748 11.330 21.350 1.00 22.12 H new ATOM 0 HD11 ILE A 153 1.266 9.659 22.273 1.00 43.45 H new ATOM 0 HD12 ILE A 153 -0.299 10.468 22.519 1.00 43.45 H new ATOM 0 HD13 ILE A 153 0.005 9.555 21.022 1.00 43.45 H new ATOM 2268 N TYR A 162 2.095 16.326 19.711 1.00 73.40 N ATOM 2269 CA TYR A 162 1.064 15.403 20.172 1.00 13.51 C ATOM 2270 C TYR A 162 -0.325 15.901 19.784 1.00 74.00 C ATOM 2271 O TYR A 162 -0.698 17.035 20.086 1.00 54.11 O ATOM 2272 CB TYR A 162 1.149 15.227 21.689 1.00 0.31 C ATOM 2273 CG TYR A 162 2.214 14.247 22.126 1.00 43.21 C ATOM 2274 CD1 TYR A 162 2.280 13.803 23.441 1.00 72.32 C ATOM 2275 CD2 TYR A 162 3.156 13.767 21.224 1.00 31.44 C ATOM 2276 CE1 TYR A 162 3.252 12.908 23.845 1.00 73.22 C ATOM 2277 CE2 TYR A 162 4.130 12.871 21.619 1.00 24.51 C ATOM 2278 CZ TYR A 162 4.174 12.444 22.930 1.00 3.42 C ATOM 2279 OH TYR A 162 5.144 11.553 23.328 1.00 63.14 O ATOM 0 HA TYR A 162 1.233 14.440 19.691 1.00 13.51 H new ATOM 0 HB2 TYR A 162 1.348 16.195 22.148 1.00 0.31 H new ATOM 0 HB3 TYR A 162 0.182 14.890 22.062 1.00 0.31 H new ATOM 0 HD1 TYR A 162 1.559 14.164 24.160 1.00 72.32 H new ATOM 0 HD2 TYR A 162 3.126 14.100 20.197 1.00 31.44 H new ATOM 0 HE1 TYR A 162 3.290 12.574 24.871 1.00 73.22 H new ATOM 0 HE2 TYR A 162 4.854 12.506 20.905 1.00 24.51 H new ATOM 0 HH TYR A 162 5.524 11.110 22.541 1.00 63.14 H new ATOM 2289 N HIS A 163 -1.088 15.043 19.113 1.00 43.52 N ATOM 2290 CA HIS A 163 -2.437 15.394 18.683 1.00 20.15 C ATOM 2291 C HIS A 163 -3.480 14.609 19.474 1.00 44.21 C ATOM 2292 O HIS A 163 -4.136 15.151 20.363 1.00 53.33 O ATOM 2293 CB HIS A 163 -2.605 15.125 17.188 1.00 70.12 C ATOM 2294 CG HIS A 163 -3.261 16.249 16.447 1.00 52.10 C ATOM 2295 ND1 HIS A 163 -2.932 17.574 16.644 1.00 61.42 N ATOM 2296 CD2 HIS A 163 -4.232 16.240 15.504 1.00 43.44 C ATOM 2297 CE1 HIS A 163 -3.673 18.331 15.855 1.00 43.12 C ATOM 2298 NE2 HIS A 163 -4.470 17.546 15.152 1.00 4.41 N ATOM 0 H HIS A 163 -0.795 14.100 18.856 1.00 43.52 H new ATOM 0 HA HIS A 163 -2.587 16.457 18.872 1.00 20.15 H new ATOM 0 HB2 HIS A 163 -1.626 14.934 16.749 1.00 70.12 H new ATOM 0 HB3 HIS A 163 -3.196 14.219 17.054 1.00 70.12 H new ATOM 0 HD2 HIS A 163 -4.727 15.368 15.103 1.00 43.44 H new ATOM 0 HE1 HIS A 163 -3.634 19.409 15.795 1.00 43.12 H new ATOM 0 HE2 HIS A 163 -5.151 17.859 14.460 1.00 4.41 H new ATOM 2306 N SER A 164 -3.627 13.330 19.143 1.00 5.13 N ATOM 2307 CA SER A 164 -4.593 12.472 19.819 1.00 4.02 C ATOM 2308 C SER A 164 -4.152 11.012 19.767 1.00 54.21 C ATOM 2309 O SER A 164 -2.970 10.703 19.918 1.00 33.34 O ATOM 2310 CB SER A 164 -5.975 12.623 19.181 1.00 63.12 C ATOM 2311 OG SER A 164 -6.989 12.124 20.036 1.00 64.42 O ATOM 0 H SER A 164 -3.090 12.865 18.411 1.00 5.13 H new ATOM 0 HA SER A 164 -4.648 12.780 20.863 1.00 4.02 H new ATOM 0 HB2 SER A 164 -6.165 13.674 18.961 1.00 63.12 H new ATOM 0 HB3 SER A 164 -6.001 12.089 18.231 1.00 63.12 H new ATOM 0 HG SER A 164 -7.863 12.233 19.606 1.00 64.42 H new ATOM 2317 N TYR A 165 -5.112 10.119 19.552 1.00 42.14 N ATOM 2318 CA TYR A 165 -4.825 8.691 19.482 1.00 51.23 C ATOM 2319 C TYR A 165 -4.893 8.192 18.042 1.00 73.23 C ATOM 2320 O TYR A 165 -5.884 8.408 17.345 1.00 35.33 O ATOM 2321 CB TYR A 165 -5.810 7.909 20.352 1.00 71.31 C ATOM 2322 CG TYR A 165 -7.257 8.272 20.105 1.00 21.11 C ATOM 2323 CD1 TYR A 165 -8.014 7.589 19.161 1.00 64.22 C ATOM 2324 CD2 TYR A 165 -7.867 9.298 20.815 1.00 11.42 C ATOM 2325 CE1 TYR A 165 -9.336 7.917 18.931 1.00 3.43 C ATOM 2326 CE2 TYR A 165 -9.189 9.633 20.593 1.00 21.14 C ATOM 2327 CZ TYR A 165 -9.919 8.940 19.650 1.00 21.25 C ATOM 2328 OH TYR A 165 -11.235 9.271 19.426 1.00 74.14 O ATOM 0 H TYR A 165 -6.095 10.359 19.423 1.00 42.14 H new ATOM 0 HA TYR A 165 -3.814 8.530 19.856 1.00 51.23 H new ATOM 0 HB2 TYR A 165 -5.675 6.843 20.170 1.00 71.31 H new ATOM 0 HB3 TYR A 165 -5.574 8.085 21.401 1.00 71.31 H new ATOM 0 HD1 TYR A 165 -7.561 6.787 18.597 1.00 64.22 H new ATOM 0 HD2 TYR A 165 -7.298 9.843 21.553 1.00 11.42 H new ATOM 0 HE1 TYR A 165 -9.910 7.376 18.193 1.00 3.43 H new ATOM 0 HE2 TYR A 165 -9.648 10.433 21.155 1.00 21.14 H new ATOM 0 HH TYR A 165 -11.491 10.011 20.015 1.00 74.14 H new ATOM 2338 N GLU A 166 -3.832 7.522 17.604 1.00 43.25 N ATOM 2339 CA GLU A 166 -3.771 6.992 16.247 1.00 64.24 C ATOM 2340 C GLU A 166 -2.553 6.089 16.070 1.00 74.42 C ATOM 2341 O GLU A 166 -1.856 5.775 17.034 1.00 61.13 O ATOM 2342 CB GLU A 166 -3.723 8.135 15.230 1.00 33.42 C ATOM 2343 CG GLU A 166 -4.796 8.041 14.158 1.00 33.34 C ATOM 2344 CD GLU A 166 -5.646 9.293 14.073 1.00 53.44 C ATOM 2345 OE1 GLU A 166 -6.848 9.174 13.753 1.00 63.34 O ATOM 2346 OE2 GLU A 166 -5.111 10.393 14.325 1.00 61.13 O ATOM 0 H GLU A 166 -3.004 7.333 18.169 1.00 43.25 H new ATOM 0 HA GLU A 166 -4.670 6.400 16.075 1.00 64.24 H new ATOM 0 HB2 GLU A 166 -3.829 9.083 15.757 1.00 33.42 H new ATOM 0 HB3 GLU A 166 -2.743 8.144 14.752 1.00 33.42 H new ATOM 0 HG2 GLU A 166 -4.324 7.860 13.192 1.00 33.34 H new ATOM 0 HG3 GLU A 166 -5.437 7.184 14.365 1.00 33.34 H new ATOM 2353 N GLU A 167 -2.306 5.674 14.831 1.00 11.21 N ATOM 2354 CA GLU A 167 -1.174 4.806 14.528 1.00 14.03 C ATOM 2355 C GLU A 167 -0.231 5.471 13.530 1.00 24.41 C ATOM 2356 O GLU A 167 -0.490 5.481 12.327 1.00 51.33 O ATOM 2357 CB GLU A 167 -1.664 3.468 13.971 1.00 54.13 C ATOM 2358 CG GLU A 167 -3.117 3.489 13.527 1.00 53.14 C ATOM 2359 CD GLU A 167 -3.597 2.137 13.034 1.00 5.42 C ATOM 2360 OE1 GLU A 167 -2.747 1.327 12.607 1.00 54.44 O ATOM 2361 OE2 GLU A 167 -4.820 1.890 13.076 1.00 64.42 O ATOM 0 H GLU A 167 -2.874 5.925 14.022 1.00 11.21 H new ATOM 0 HA GLU A 167 -0.627 4.627 15.454 1.00 14.03 H new ATOM 0 HB2 GLU A 167 -1.038 3.185 13.124 1.00 54.13 H new ATOM 0 HB3 GLU A 167 -1.537 2.699 14.732 1.00 54.13 H new ATOM 0 HG2 GLU A 167 -3.743 3.811 14.360 1.00 53.14 H new ATOM 0 HG3 GLU A 167 -3.240 4.225 12.733 1.00 53.14 H new ATOM 2368 N ASP A 168 0.864 6.024 14.039 1.00 44.30 N ATOM 2369 CA ASP A 168 1.848 6.691 13.193 1.00 31.23 C ATOM 2370 C ASP A 168 3.267 6.359 13.645 1.00 52.03 C ATOM 2371 O ASP A 168 3.502 5.334 14.284 1.00 42.53 O ATOM 2372 CB ASP A 168 1.632 8.205 13.219 1.00 30.24 C ATOM 2373 CG ASP A 168 1.864 8.846 11.865 1.00 12.03 C ATOM 2374 OD1 ASP A 168 1.385 8.289 10.855 1.00 43.11 O ATOM 2375 OD2 ASP A 168 2.523 9.905 11.816 1.00 10.31 O ATOM 0 H ASP A 168 1.093 6.024 15.033 1.00 44.30 H new ATOM 0 HA ASP A 168 1.717 6.331 12.173 1.00 31.23 H new ATOM 0 HB2 ASP A 168 0.615 8.418 13.549 1.00 30.24 H new ATOM 0 HB3 ASP A 168 2.305 8.653 13.950 1.00 30.24 H new ATOM 2380 N GLY A 169 4.210 7.233 13.307 1.00 51.35 N ATOM 2381 CA GLY A 169 5.594 7.015 13.684 1.00 31.42 C ATOM 2382 C GLY A 169 6.503 6.845 12.483 1.00 32.20 C ATOM 2383 O GLY A 169 6.053 6.456 11.405 1.00 21.51 O ATOM 0 H GLY A 169 4.040 8.089 12.778 1.00 51.35 H new ATOM 0 HA2 GLY A 169 5.941 7.858 14.282 1.00 31.42 H new ATOM 0 HA3 GLY A 169 5.660 6.128 14.314 1.00 31.42 H new