USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1070 hydrogens (13 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 Single : A 316 ASN : amide:sc= -0.745 X(o=-0.74,f=-0.75) USER MOD Single : A 318 GLN :FLIP amide:sc= -1.23 F(o=-2.5!,f=-1.2) USER MOD Single : A 320 SER OG : rot 180:sc= 0 USER MOD Single : A 326 GLN : amide:sc= 0.564 K(o=0.56,f=-0.26) USER MOD Single : A 331 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 332 THR OG1 : rot -170:sc= -0.257 USER MOD Single : A 338 GLN : amide:sc= -14.4! C(o=-14!,f=-22!) USER MOD Single : A 341 SER OG : rot 44:sc= -2.49 USER MOD Single : A 346 THR OG1 : rot 140:sc= -0.665 USER MOD Single : A 351 SER OG : rot 180:sc= -0.149 USER MOD Single : A 357 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 358 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.69) USER MOD Single : A 361 ASN : amide:sc= -0.0837 X(o=-0.084,f=-0.25) USER MOD Single : A 368 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 369 SER OG : rot -52:sc= -0.977! USER MOD Single : A 371 HIS : no HD1:sc= -0.0244 X(o=-0.024,f=-0.024) USER MOD Single : A 373 THR OG1 : rot 180:sc= 0 USER MOD Single : A 378 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 381 SER OG : rot 180:sc= 0 USER MOD Single : A 383 MET CE :methyl -115:sc= -3.66! (180deg=-10.6!) USER MOD Single : A 384 SER OG : rot -135:sc= 0.133 USER MOD Single : A 387 ASN :FLIP amide:sc= -7.26! C(o=-9.1!,f=-7.3!) USER MOD Single : A 390 ASN :FLIP amide:sc= -0.111 F(o=-1.6,f=-0.11) USER MOD Single : A 392 MET CE :methyl 129:sc= -0.132 (180deg=-0.952) USER MOD Single : A 395 LYS NZ :NH3+ 175:sc= -11.8! (180deg=-12.5!) USER MOD Single : A 397 SER OG : rot -110:sc= -3.46! USER MOD Single : A 404 HIS : no HE2:sc= -5.93! C(o=-5.9!,f=-5.5!) USER MOD Single : A 408 ASN :FLIP amide:sc= -0.0349 F(o=-0.55,f=-0.035) USER MOD Single : A 411 HIS : no HD1:sc= -0.0162 X(o=-0.016,f=-0.023) USER MOD Single : A 414 THR OG1 : rot 180:sc= 0 USER MOD Single : A 418 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 419 LYS NZ :NH3+ -158:sc= -0.24 (180deg=-1.77!) USER MOD Single : A 422 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 426 GLN : amide:sc= -0.414 K(o=-0.41,f=-2!) USER MOD Single : A 429 THR OG1 : rot -150:sc= 0 USER MOD Single : A 437 SER OG : rot 180:sc= 0 USER MOD Single : A 446 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 450 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1001 ANP O2' : rot -24:sc= -1.72! USER MOD Single : A1001 ANP O3' : rot 160:sc= -0.942 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 316 119.068 -7.348 -2.370 1.00 4.45 N ATOM 2 CA ASN A 316 117.737 -6.817 -2.794 1.00 3.89 C ATOM 3 C ASN A 316 116.995 -6.230 -1.592 1.00 2.72 C ATOM 4 O ASN A 316 117.437 -6.338 -0.467 1.00 2.74 O ATOM 5 CB ASN A 316 116.977 -8.021 -3.358 1.00 4.56 C ATOM 6 CG ASN A 316 115.753 -7.535 -4.134 1.00 5.35 C ATOM 7 OD1 ASN A 316 115.881 -6.833 -5.118 1.00 5.50 O ATOM 8 ND2 ASN A 316 114.561 -7.880 -3.731 1.00 6.08 N ATOM 0 HA ASN A 316 117.832 -6.020 -3.531 1.00 3.89 H new ATOM 0 HB2 ASN A 316 117.628 -8.601 -4.012 1.00 4.56 H new ATOM 0 HB3 ASN A 316 116.668 -8.681 -2.548 1.00 4.56 H new ATOM 0 HD21 ASN A 316 113.738 -7.561 -4.242 1.00 6.08 H new ATOM 0 HD22 ASN A 316 114.452 -8.469 -2.905 1.00 6.08 H new ATOM 15 N ARG A 317 115.858 -5.633 -1.816 1.00 2.20 N ATOM 16 CA ARG A 317 115.081 -5.068 -0.676 1.00 1.30 C ATOM 17 C ARG A 317 113.657 -5.629 -0.674 1.00 1.48 C ATOM 18 O ARG A 317 113.038 -5.786 -1.708 1.00 1.26 O ATOM 19 CB ARG A 317 115.068 -3.559 -0.914 1.00 1.52 C ATOM 20 CG ARG A 317 116.493 -3.012 -0.800 1.00 2.49 C ATOM 21 CD ARG A 317 116.471 -1.488 -0.938 1.00 3.27 C ATOM 22 NE ARG A 317 115.889 -1.230 -2.285 1.00 4.34 N ATOM 23 CZ ARG A 317 115.834 -0.013 -2.755 1.00 5.21 C ATOM 24 NH1 ARG A 317 116.286 0.988 -2.047 1.00 5.83 N ATOM 25 NH2 ARG A 317 115.324 0.205 -3.937 1.00 5.72 N ATOM 0 H ARG A 317 115.434 -5.512 -2.736 1.00 2.20 H new ATOM 0 HA ARG A 317 115.520 -5.322 0.289 1.00 1.30 H new ATOM 0 HB2 ARG A 317 114.661 -3.339 -1.901 1.00 1.52 H new ATOM 0 HB3 ARG A 317 114.420 -3.071 -0.186 1.00 1.52 H new ATOM 0 HG2 ARG A 317 116.926 -3.294 0.160 1.00 2.49 H new ATOM 0 HG3 ARG A 317 117.124 -3.448 -1.575 1.00 2.49 H new ATOM 0 HD2 ARG A 317 115.869 -1.030 -0.154 1.00 3.27 H new ATOM 0 HD3 ARG A 317 117.474 -1.070 -0.855 1.00 3.27 H new ATOM 0 HE ARG A 317 115.532 -2.007 -2.842 1.00 4.34 H new ATOM 0 HH11 ARG A 317 116.684 0.820 -1.123 1.00 5.83 H new ATOM 0 HH12 ARG A 317 116.241 1.937 -2.418 1.00 5.83 H new ATOM 0 HH21 ARG A 317 114.970 -0.575 -4.491 1.00 5.72 H new ATOM 0 HH22 ARG A 317 115.280 1.155 -4.306 1.00 5.72 H new ATOM 39 N GLN A 318 113.153 -5.973 0.478 1.00 2.19 N ATOM 40 CA GLN A 318 111.787 -6.572 0.552 1.00 2.64 C ATOM 41 C GLN A 318 111.014 -5.933 1.702 1.00 2.16 C ATOM 42 O GLN A 318 111.577 -5.633 2.734 1.00 2.69 O ATOM 43 CB GLN A 318 112.004 -8.063 0.846 1.00 3.37 C ATOM 44 CG GLN A 318 113.230 -8.577 0.091 1.00 4.16 C ATOM 45 CD GLN A 318 113.319 -10.097 0.231 1.00 4.79 C ATOM 46 OE1 GLN A 318 114.160 -10.614 1.085 1.00 4.85 O flip ATOM 47 NE2 GLN A 318 112.616 -10.824 -0.443 1.00 5.58 N flip ATOM 0 H GLN A 318 113.627 -5.866 1.375 1.00 2.19 H new ATOM 0 HA GLN A 318 111.223 -6.417 -0.368 1.00 2.64 H new ATOM 0 HB2 GLN A 318 112.138 -8.214 1.917 1.00 3.37 H new ATOM 0 HB3 GLN A 318 111.122 -8.631 0.552 1.00 3.37 H new ATOM 0 HG2 GLN A 318 113.163 -8.302 -0.962 1.00 4.16 H new ATOM 0 HG3 GLN A 318 114.134 -8.112 0.485 1.00 4.16 H new ATOM 0 HE21 GLN A 318 111.958 -10.422 -1.111 1.00 5.58 H new ATOM 0 HE22 GLN A 318 112.684 -11.837 -0.341 1.00 5.58 H new ATOM 56 N ALA A 319 109.720 -5.830 1.597 1.00 1.32 N ATOM 57 CA ALA A 319 108.939 -5.334 2.763 1.00 1.05 C ATOM 58 C ALA A 319 108.970 -6.371 3.879 1.00 0.89 C ATOM 59 O ALA A 319 108.497 -7.478 3.721 1.00 1.18 O ATOM 60 CB ALA A 319 107.514 -5.162 2.257 1.00 1.42 C ATOM 0 H ALA A 319 109.175 -6.064 0.767 1.00 1.32 H new ATOM 0 HA ALA A 319 109.344 -4.403 3.159 1.00 1.05 H new ATOM 0 HB1 ALA A 319 106.882 -4.798 3.067 1.00 1.42 H new ATOM 0 HB2 ALA A 319 107.503 -4.444 1.437 1.00 1.42 H new ATOM 0 HB3 ALA A 319 107.135 -6.121 1.904 1.00 1.42 H new ATOM 66 N SER A 320 109.448 -6.002 5.030 1.00 0.59 N ATOM 67 CA SER A 320 109.413 -6.958 6.168 1.00 0.64 C ATOM 68 C SER A 320 108.367 -6.529 7.202 1.00 0.49 C ATOM 69 O SER A 320 107.658 -7.346 7.754 1.00 0.50 O ATOM 70 CB SER A 320 110.817 -6.924 6.768 1.00 0.78 C ATOM 71 OG SER A 320 111.624 -7.906 6.131 1.00 1.60 O ATOM 0 H SER A 320 109.858 -5.090 5.232 1.00 0.59 H new ATOM 0 HA SER A 320 109.137 -7.962 5.847 1.00 0.64 H new ATOM 0 HB2 SER A 320 111.257 -5.935 6.638 1.00 0.78 H new ATOM 0 HB3 SER A 320 110.771 -7.114 7.840 1.00 0.78 H new ATOM 0 HG SER A 320 112.526 -7.886 6.513 1.00 1.60 H new ATOM 77 N GLU A 321 108.281 -5.259 7.490 1.00 0.45 N ATOM 78 CA GLU A 321 107.298 -4.800 8.516 1.00 0.44 C ATOM 79 C GLU A 321 106.602 -3.515 8.070 1.00 0.37 C ATOM 80 O GLU A 321 107.221 -2.613 7.556 1.00 0.35 O ATOM 81 CB GLU A 321 108.122 -4.543 9.771 1.00 0.59 C ATOM 82 CG GLU A 321 107.209 -4.028 10.882 1.00 0.73 C ATOM 83 CD GLU A 321 108.045 -3.681 12.114 1.00 1.02 C ATOM 84 OE1 GLU A 321 109.256 -3.816 12.041 1.00 1.30 O ATOM 85 OE2 GLU A 321 107.462 -3.284 13.110 1.00 1.82 O ATOM 0 H GLU A 321 108.844 -4.523 7.064 1.00 0.45 H new ATOM 0 HA GLU A 321 106.514 -5.540 8.679 1.00 0.44 H new ATOM 0 HB2 GLU A 321 108.617 -5.461 10.088 1.00 0.59 H new ATOM 0 HB3 GLU A 321 108.905 -3.814 9.562 1.00 0.59 H new ATOM 0 HG2 GLU A 321 106.664 -3.148 10.540 1.00 0.73 H new ATOM 0 HG3 GLU A 321 106.466 -4.784 11.136 1.00 0.73 H new ATOM 92 N PHE A 322 105.346 -3.377 8.385 1.00 0.40 N ATOM 93 CA PHE A 322 104.643 -2.088 8.111 1.00 0.37 C ATOM 94 C PHE A 322 104.169 -1.453 9.420 1.00 0.38 C ATOM 95 O PHE A 322 103.761 -2.132 10.340 1.00 0.42 O ATOM 96 CB PHE A 322 103.457 -2.459 7.222 1.00 0.41 C ATOM 97 CG PHE A 322 102.728 -3.641 7.812 1.00 0.52 C ATOM 98 CD1 PHE A 322 101.711 -3.442 8.755 1.00 0.67 C ATOM 99 CD2 PHE A 322 103.067 -4.939 7.409 1.00 0.94 C ATOM 100 CE1 PHE A 322 101.032 -4.544 9.296 1.00 0.87 C ATOM 101 CE2 PHE A 322 102.391 -6.041 7.949 1.00 1.14 C ATOM 102 CZ PHE A 322 101.373 -5.843 8.893 1.00 1.00 C ATOM 0 H PHE A 322 104.773 -4.100 8.821 1.00 0.40 H new ATOM 0 HA PHE A 322 105.293 -1.358 7.628 1.00 0.37 H new ATOM 0 HB2 PHE A 322 102.779 -1.610 7.131 1.00 0.41 H new ATOM 0 HB3 PHE A 322 103.805 -2.699 6.217 1.00 0.41 H new ATOM 0 HD1 PHE A 322 101.450 -2.441 9.065 1.00 0.67 H new ATOM 0 HD2 PHE A 322 103.850 -5.090 6.681 1.00 0.94 H new ATOM 0 HE1 PHE A 322 100.247 -4.392 10.022 1.00 0.87 H new ATOM 0 HE2 PHE A 322 102.654 -7.042 7.639 1.00 1.14 H new ATOM 0 HZ PHE A 322 100.851 -6.692 9.310 1.00 1.00 H new ATOM 112 N ILE A 323 104.159 -0.149 9.484 1.00 0.37 N ATOM 113 CA ILE A 323 103.638 0.533 10.708 1.00 0.41 C ATOM 114 C ILE A 323 102.612 1.607 10.331 1.00 0.43 C ATOM 115 O ILE A 323 102.818 2.359 9.399 1.00 0.53 O ATOM 116 CB ILE A 323 104.850 1.182 11.369 1.00 0.44 C ATOM 117 CG1 ILE A 323 106.044 0.226 11.323 1.00 0.46 C ATOM 118 CG2 ILE A 323 104.505 1.495 12.824 1.00 0.48 C ATOM 119 CD1 ILE A 323 105.690 -1.068 12.056 1.00 0.52 C ATOM 0 H ILE A 323 104.487 0.473 8.746 1.00 0.37 H new ATOM 0 HA ILE A 323 103.140 -0.172 11.373 1.00 0.41 H new ATOM 0 HB ILE A 323 105.110 2.098 10.839 1.00 0.44 H new ATOM 0 HG12 ILE A 323 106.310 0.009 10.288 1.00 0.46 H new ATOM 0 HG13 ILE A 323 106.914 0.692 11.785 1.00 0.46 H new ATOM 0 HG21 ILE A 323 105.363 1.960 13.310 1.00 0.48 H new ATOM 0 HG22 ILE A 323 103.655 2.177 12.858 1.00 0.48 H new ATOM 0 HG23 ILE A 323 104.250 0.572 13.344 1.00 0.48 H new ATOM 0 HD11 ILE A 323 106.540 -1.749 12.023 1.00 0.52 H new ATOM 0 HD12 ILE A 323 105.445 -0.843 13.094 1.00 0.52 H new ATOM 0 HD13 ILE A 323 104.832 -1.536 11.574 1.00 0.52 H new ATOM 131 N PRO A 324 101.504 1.586 11.025 1.00 0.36 N ATOM 132 CA PRO A 324 100.382 2.503 10.705 1.00 0.40 C ATOM 133 C PRO A 324 100.809 3.965 10.816 1.00 0.64 C ATOM 134 O PRO A 324 101.660 4.318 11.608 1.00 1.44 O ATOM 135 CB PRO A 324 99.323 2.198 11.759 1.00 0.33 C ATOM 136 CG PRO A 324 99.728 0.910 12.400 1.00 0.30 C ATOM 137 CD PRO A 324 101.200 0.716 12.162 1.00 0.29 C ATOM 0 HA PRO A 324 100.027 2.358 9.685 1.00 0.40 H new ATOM 0 HB2 PRO A 324 99.267 2.999 12.497 1.00 0.33 H new ATOM 0 HB3 PRO A 324 98.336 2.113 11.305 1.00 0.33 H new ATOM 0 HG2 PRO A 324 99.514 0.932 13.469 1.00 0.30 H new ATOM 0 HG3 PRO A 324 99.161 0.080 11.979 1.00 0.30 H new ATOM 0 HD2 PRO A 324 101.784 0.992 13.040 1.00 0.29 H new ATOM 0 HD3 PRO A 324 101.432 -0.325 11.939 1.00 0.29 H new ATOM 145 N ALA A 325 100.077 4.834 10.176 1.00 0.75 N ATOM 146 CA ALA A 325 100.276 6.288 10.409 1.00 0.98 C ATOM 147 C ALA A 325 99.664 6.675 11.754 1.00 0.81 C ATOM 148 O ALA A 325 99.349 5.831 12.568 1.00 1.11 O ATOM 149 CB ALA A 325 99.535 6.978 9.263 1.00 1.58 C ATOM 0 H ALA A 325 99.349 4.598 9.501 1.00 0.75 H new ATOM 0 HA ALA A 325 101.328 6.571 10.436 1.00 0.98 H new ATOM 0 HB1 ALA A 325 99.635 8.059 9.364 1.00 1.58 H new ATOM 0 HB2 ALA A 325 99.961 6.661 8.311 1.00 1.58 H new ATOM 0 HB3 ALA A 325 98.480 6.706 9.296 1.00 1.58 H new ATOM 155 N GLN A 326 99.533 7.942 12.012 1.00 0.91 N ATOM 156 CA GLN A 326 98.987 8.376 13.328 1.00 1.48 C ATOM 157 C GLN A 326 97.539 7.896 13.493 1.00 1.32 C ATOM 158 O GLN A 326 96.616 8.496 12.979 1.00 1.83 O ATOM 159 CB GLN A 326 99.045 9.904 13.285 1.00 2.25 C ATOM 160 CG GLN A 326 98.626 10.469 14.643 1.00 3.14 C ATOM 161 CD GLN A 326 98.581 11.997 14.570 1.00 3.55 C ATOM 162 OE1 GLN A 326 97.843 12.557 13.784 1.00 4.00 O ATOM 163 NE2 GLN A 326 99.345 12.698 15.362 1.00 3.92 N ATOM 0 H GLN A 326 99.779 8.697 11.372 1.00 0.91 H new ATOM 0 HA GLN A 326 99.549 7.965 14.166 1.00 1.48 H new ATOM 0 HB2 GLN A 326 100.054 10.233 13.038 1.00 2.25 H new ATOM 0 HB3 GLN A 326 98.386 10.282 12.503 1.00 2.25 H new ATOM 0 HG2 GLN A 326 97.648 10.079 14.925 1.00 3.14 H new ATOM 0 HG3 GLN A 326 99.329 10.152 15.413 1.00 3.14 H new ATOM 0 HE21 GLN A 326 99.964 12.227 16.022 1.00 3.92 H new ATOM 0 HE22 GLN A 326 99.323 13.717 15.322 1.00 3.92 H new ATOM 172 N GLY A 327 97.326 6.883 14.294 1.00 1.28 N ATOM 173 CA GLY A 327 95.929 6.446 14.591 1.00 1.48 C ATOM 174 C GLY A 327 95.490 5.349 13.613 1.00 1.24 C ATOM 175 O GLY A 327 94.313 5.099 13.442 1.00 1.52 O ATOM 0 H GLY A 327 98.057 6.341 14.754 1.00 1.28 H new ATOM 0 HA2 GLY A 327 95.867 6.075 15.614 1.00 1.48 H new ATOM 0 HA3 GLY A 327 95.252 7.297 14.519 1.00 1.48 H new ATOM 179 N VAL A 328 96.413 4.738 12.922 1.00 0.93 N ATOM 180 CA VAL A 328 96.026 3.716 11.904 1.00 1.03 C ATOM 181 C VAL A 328 96.314 2.298 12.417 1.00 1.06 C ATOM 182 O VAL A 328 97.214 2.083 13.201 1.00 1.71 O ATOM 183 CB VAL A 328 96.888 4.025 10.681 1.00 1.43 C ATOM 184 CG1 VAL A 328 96.502 3.087 9.537 1.00 1.73 C ATOM 185 CG2 VAL A 328 96.656 5.476 10.250 1.00 1.57 C ATOM 0 H VAL A 328 97.416 4.900 13.016 1.00 0.93 H new ATOM 0 HA VAL A 328 94.961 3.755 11.677 1.00 1.03 H new ATOM 0 HB VAL A 328 97.939 3.882 10.930 1.00 1.43 H new ATOM 0 HG11 VAL A 328 97.116 3.306 8.664 1.00 1.73 H new ATOM 0 HG12 VAL A 328 96.663 2.054 9.844 1.00 1.73 H new ATOM 0 HG13 VAL A 328 95.451 3.231 9.287 1.00 1.73 H new ATOM 0 HG21 VAL A 328 97.270 5.699 9.377 1.00 1.57 H new ATOM 0 HG22 VAL A 328 95.605 5.618 10.000 1.00 1.57 H new ATOM 0 HG23 VAL A 328 96.928 6.146 11.066 1.00 1.57 H new ATOM 195 N ASP A 329 95.564 1.329 11.960 1.00 1.16 N ATOM 196 CA ASP A 329 95.811 -0.080 12.396 1.00 1.20 C ATOM 197 C ASP A 329 96.900 -0.723 11.527 1.00 1.16 C ATOM 198 O ASP A 329 97.011 -0.445 10.350 1.00 1.39 O ATOM 199 CB ASP A 329 94.473 -0.794 12.198 1.00 1.44 C ATOM 200 CG ASP A 329 93.435 -0.214 13.159 1.00 1.37 C ATOM 201 OD1 ASP A 329 93.831 0.495 14.070 1.00 2.02 O ATOM 202 OD2 ASP A 329 92.262 -0.487 12.968 1.00 1.69 O ATOM 0 H ASP A 329 94.792 1.451 11.305 1.00 1.16 H new ATOM 0 HA ASP A 329 96.156 -0.139 13.428 1.00 1.20 H new ATOM 0 HB2 ASP A 329 94.136 -0.677 11.168 1.00 1.44 H new ATOM 0 HB3 ASP A 329 94.590 -1.863 12.375 1.00 1.44 H new ATOM 207 N GLU A 330 97.743 -1.534 12.112 1.00 1.13 N ATOM 208 CA GLU A 330 98.869 -2.136 11.334 1.00 1.11 C ATOM 209 C GLU A 330 98.331 -3.066 10.242 1.00 0.97 C ATOM 210 O GLU A 330 98.840 -3.103 9.140 1.00 0.91 O ATOM 211 CB GLU A 330 99.671 -2.934 12.364 1.00 1.28 C ATOM 212 CG GLU A 330 98.904 -4.201 12.744 1.00 1.68 C ATOM 213 CD GLU A 330 99.650 -4.935 13.860 1.00 2.07 C ATOM 214 OE1 GLU A 330 100.736 -4.498 14.206 1.00 2.70 O ATOM 215 OE2 GLU A 330 99.124 -5.920 14.350 1.00 2.49 O ATOM 0 H GLU A 330 97.701 -1.806 13.094 1.00 1.13 H new ATOM 0 HA GLU A 330 99.473 -1.380 10.833 1.00 1.11 H new ATOM 0 HB2 GLU A 330 100.647 -3.197 11.955 1.00 1.28 H new ATOM 0 HB3 GLU A 330 99.850 -2.326 13.251 1.00 1.28 H new ATOM 0 HG2 GLU A 330 97.897 -3.944 13.073 1.00 1.68 H new ATOM 0 HG3 GLU A 330 98.799 -4.850 11.874 1.00 1.68 H new ATOM 222 N LYS A 331 97.306 -3.815 10.534 1.00 0.98 N ATOM 223 CA LYS A 331 96.745 -4.738 9.505 1.00 0.92 C ATOM 224 C LYS A 331 96.227 -3.941 8.305 1.00 0.81 C ATOM 225 O LYS A 331 96.447 -4.300 7.166 1.00 0.80 O ATOM 226 CB LYS A 331 95.600 -5.466 10.207 1.00 1.02 C ATOM 227 CG LYS A 331 96.158 -6.296 11.362 1.00 1.49 C ATOM 228 CD LYS A 331 95.040 -7.141 11.975 1.00 2.27 C ATOM 229 CE LYS A 331 95.574 -7.887 13.200 1.00 2.60 C ATOM 230 NZ LYS A 331 94.861 -7.282 14.359 1.00 3.03 N ATOM 0 H LYS A 331 96.832 -3.830 11.437 1.00 0.98 H new ATOM 0 HA LYS A 331 97.492 -5.433 9.122 1.00 0.92 H new ATOM 0 HB2 LYS A 331 94.872 -4.746 10.581 1.00 1.02 H new ATOM 0 HB3 LYS A 331 95.077 -6.111 9.501 1.00 1.02 H new ATOM 0 HG2 LYS A 331 96.961 -6.941 11.005 1.00 1.49 H new ATOM 0 HG3 LYS A 331 96.589 -5.641 12.119 1.00 1.49 H new ATOM 0 HD2 LYS A 331 94.203 -6.503 12.261 1.00 2.27 H new ATOM 0 HD3 LYS A 331 94.662 -7.852 11.240 1.00 2.27 H new ATOM 0 HE2 LYS A 331 95.375 -8.956 13.129 1.00 2.60 H new ATOM 0 HE3 LYS A 331 96.653 -7.769 13.295 1.00 2.60 H new ATOM 0 HZ1 LYS A 331 95.174 -7.742 15.238 1.00 3.03 H new ATOM 0 HZ2 LYS A 331 95.074 -6.265 14.405 1.00 3.03 H new ATOM 0 HZ3 LYS A 331 93.836 -7.416 14.244 1.00 3.03 H new ATOM 244 N THR A 332 95.580 -2.839 8.551 1.00 0.78 N ATOM 245 CA THR A 332 95.092 -1.998 7.421 1.00 0.74 C ATOM 246 C THR A 332 96.265 -1.558 6.546 1.00 0.65 C ATOM 247 O THR A 332 96.198 -1.595 5.334 1.00 0.66 O ATOM 248 CB THR A 332 94.442 -0.787 8.088 1.00 0.77 C ATOM 249 OG1 THR A 332 93.402 -1.223 8.952 1.00 0.90 O ATOM 250 CG2 THR A 332 93.870 0.140 7.017 1.00 0.82 C ATOM 0 H THR A 332 95.367 -2.483 9.483 1.00 0.78 H new ATOM 0 HA THR A 332 94.397 -2.534 6.775 1.00 0.74 H new ATOM 0 HB THR A 332 95.189 -0.246 8.669 1.00 0.77 H new ATOM 0 HG1 THR A 332 92.884 -0.449 9.257 1.00 0.90 H new ATOM 0 HG21 THR A 332 93.406 1.004 7.493 1.00 0.82 H new ATOM 0 HG22 THR A 332 94.672 0.475 6.360 1.00 0.82 H new ATOM 0 HG23 THR A 332 93.123 -0.397 6.433 1.00 0.82 H new ATOM 258 N LEU A 333 97.330 -1.115 7.152 1.00 0.59 N ATOM 259 CA LEU A 333 98.498 -0.640 6.358 1.00 0.57 C ATOM 260 C LEU A 333 99.070 -1.762 5.487 1.00 0.58 C ATOM 261 O LEU A 333 99.359 -1.569 4.323 1.00 0.54 O ATOM 262 CB LEU A 333 99.520 -0.208 7.403 1.00 0.68 C ATOM 263 CG LEU A 333 100.887 -0.051 6.742 1.00 0.64 C ATOM 264 CD1 LEU A 333 100.794 0.963 5.603 1.00 0.93 C ATOM 265 CD2 LEU A 333 101.885 0.445 7.781 1.00 0.87 C ATOM 0 H LEU A 333 97.443 -1.061 8.164 1.00 0.59 H new ATOM 0 HA LEU A 333 98.225 0.166 5.677 1.00 0.57 H new ATOM 0 HB2 LEU A 333 99.214 0.734 7.859 1.00 0.68 H new ATOM 0 HB3 LEU A 333 99.573 -0.947 8.203 1.00 0.68 H new ATOM 0 HG LEU A 333 101.213 -1.011 6.342 1.00 0.64 H new ATOM 0 HD11 LEU A 333 101.771 1.073 5.133 1.00 0.93 H new ATOM 0 HD12 LEU A 333 100.073 0.614 4.864 1.00 0.93 H new ATOM 0 HD13 LEU A 333 100.471 1.926 5.999 1.00 0.93 H new ATOM 0 HD21 LEU A 333 102.865 0.560 7.318 1.00 0.87 H new ATOM 0 HD22 LEU A 333 101.554 1.406 8.174 1.00 0.87 H new ATOM 0 HD23 LEU A 333 101.951 -0.276 8.595 1.00 0.87 H new ATOM 277 N ALA A 334 99.231 -2.932 6.034 1.00 0.66 N ATOM 278 CA ALA A 334 99.782 -4.058 5.230 1.00 0.73 C ATOM 279 C ALA A 334 98.865 -4.344 4.044 1.00 0.68 C ATOM 280 O ALA A 334 99.306 -4.663 2.959 1.00 0.66 O ATOM 281 CB ALA A 334 99.807 -5.248 6.188 1.00 0.87 C ATOM 0 H ALA A 334 99.005 -3.159 7.003 1.00 0.66 H new ATOM 0 HA ALA A 334 100.771 -3.840 4.826 1.00 0.73 H new ATOM 0 HB1 ALA A 334 100.202 -6.123 5.671 1.00 0.87 H new ATOM 0 HB2 ALA A 334 100.442 -5.014 7.042 1.00 0.87 H new ATOM 0 HB3 ALA A 334 98.795 -5.457 6.535 1.00 0.87 H new ATOM 287 N ASP A 335 97.589 -4.252 4.251 1.00 0.67 N ATOM 288 CA ASP A 335 96.627 -4.549 3.153 1.00 0.65 C ATOM 289 C ASP A 335 96.741 -3.527 2.021 1.00 0.62 C ATOM 290 O ASP A 335 96.796 -3.880 0.863 1.00 0.69 O ATOM 291 CB ASP A 335 95.263 -4.437 3.807 1.00 0.67 C ATOM 292 CG ASP A 335 94.182 -4.904 2.830 1.00 1.19 C ATOM 293 OD1 ASP A 335 93.952 -6.100 2.758 1.00 1.61 O ATOM 294 OD2 ASP A 335 93.602 -4.056 2.170 1.00 1.96 O ATOM 0 H ASP A 335 97.163 -3.982 5.138 1.00 0.67 H new ATOM 0 HA ASP A 335 96.813 -5.527 2.708 1.00 0.65 H new ATOM 0 HB2 ASP A 335 95.233 -5.042 4.713 1.00 0.67 H new ATOM 0 HB3 ASP A 335 95.076 -3.406 4.105 1.00 0.67 H new ATOM 299 N ALA A 336 96.712 -2.264 2.341 1.00 0.60 N ATOM 300 CA ALA A 336 96.733 -1.228 1.269 1.00 0.62 C ATOM 301 C ALA A 336 98.065 -1.251 0.522 1.00 0.51 C ATOM 302 O ALA A 336 98.106 -1.109 -0.682 1.00 0.55 O ATOM 303 CB ALA A 336 96.533 0.105 1.988 1.00 0.76 C ATOM 0 H ALA A 336 96.675 -1.904 3.295 1.00 0.60 H new ATOM 0 HA ALA A 336 95.958 -1.401 0.522 1.00 0.62 H new ATOM 0 HB1 ALA A 336 96.538 0.916 1.259 1.00 0.76 H new ATOM 0 HB2 ALA A 336 95.578 0.095 2.514 1.00 0.76 H new ATOM 0 HB3 ALA A 336 97.340 0.257 2.704 1.00 0.76 H new ATOM 309 N ALA A 337 99.152 -1.436 1.209 1.00 0.46 N ATOM 310 CA ALA A 337 100.464 -1.464 0.496 1.00 0.50 C ATOM 311 C ALA A 337 100.535 -2.683 -0.430 1.00 0.62 C ATOM 312 O ALA A 337 101.101 -2.624 -1.503 1.00 0.72 O ATOM 313 CB ALA A 337 101.529 -1.556 1.593 1.00 0.50 C ATOM 0 H ALA A 337 99.195 -1.568 2.220 1.00 0.46 H new ATOM 0 HA ALA A 337 100.608 -0.581 -0.126 1.00 0.50 H new ATOM 0 HB1 ALA A 337 102.519 -1.581 1.138 1.00 0.50 H new ATOM 0 HB2 ALA A 337 101.452 -0.688 2.248 1.00 0.50 H new ATOM 0 HB3 ALA A 337 101.375 -2.465 2.175 1.00 0.50 H new ATOM 319 N GLN A 338 100.075 -3.813 0.030 1.00 0.71 N ATOM 320 CA GLN A 338 100.239 -5.064 -0.763 1.00 0.91 C ATOM 321 C GLN A 338 99.232 -5.136 -1.918 1.00 0.94 C ATOM 322 O GLN A 338 99.555 -5.590 -2.997 1.00 1.06 O ATOM 323 CB GLN A 338 100.037 -6.187 0.247 1.00 1.03 C ATOM 324 CG GLN A 338 101.384 -6.453 0.924 1.00 1.03 C ATOM 325 CD GLN A 338 101.577 -5.489 2.102 1.00 0.94 C ATOM 326 OE1 GLN A 338 101.473 -4.291 1.942 1.00 1.72 O ATOM 327 NE2 GLN A 338 101.860 -5.960 3.284 1.00 0.69 N ATOM 0 H GLN A 338 99.592 -3.925 0.921 1.00 0.71 H new ATOM 0 HA GLN A 338 101.216 -5.124 -1.243 1.00 0.91 H new ATOM 0 HB2 GLN A 338 99.287 -5.906 0.986 1.00 1.03 H new ATOM 0 HB3 GLN A 338 99.674 -7.087 -0.249 1.00 1.03 H new ATOM 0 HG2 GLN A 338 101.427 -7.484 1.276 1.00 1.03 H new ATOM 0 HG3 GLN A 338 102.193 -6.328 0.205 1.00 1.03 H new ATOM 0 HE21 GLN A 338 101.949 -6.966 3.424 1.00 0.69 H new ATOM 0 HE22 GLN A 338 101.993 -5.322 4.069 1.00 0.69 H new ATOM 336 N LEU A 339 98.045 -4.621 -1.742 1.00 0.86 N ATOM 337 CA LEU A 339 97.086 -4.589 -2.886 1.00 0.90 C ATOM 338 C LEU A 339 97.485 -3.491 -3.880 1.00 0.84 C ATOM 339 O LEU A 339 97.374 -3.657 -5.078 1.00 1.00 O ATOM 340 CB LEU A 339 95.707 -4.310 -2.273 1.00 0.80 C ATOM 341 CG LEU A 339 95.690 -2.945 -1.579 1.00 1.01 C ATOM 342 CD1 LEU A 339 95.463 -1.845 -2.616 1.00 1.34 C ATOM 343 CD2 LEU A 339 94.547 -2.917 -0.558 1.00 1.58 C ATOM 0 H LEU A 339 97.700 -4.225 -0.867 1.00 0.86 H new ATOM 0 HA LEU A 339 97.082 -5.527 -3.440 1.00 0.90 H new ATOM 0 HB2 LEU A 339 94.945 -4.337 -3.052 1.00 0.80 H new ATOM 0 HB3 LEU A 339 95.457 -5.092 -1.555 1.00 0.80 H new ATOM 0 HG LEU A 339 96.643 -2.779 -1.077 1.00 1.01 H new ATOM 0 HD11 LEU A 339 95.451 -0.874 -2.120 1.00 1.34 H new ATOM 0 HD12 LEU A 339 96.267 -1.867 -3.352 1.00 1.34 H new ATOM 0 HD13 LEU A 339 94.509 -2.008 -3.117 1.00 1.34 H new ATOM 0 HD21 LEU A 339 94.528 -1.948 -0.059 1.00 1.58 H new ATOM 0 HD22 LEU A 339 93.598 -3.080 -1.069 1.00 1.58 H new ATOM 0 HD23 LEU A 339 94.701 -3.703 0.182 1.00 1.58 H new ATOM 355 N ALA A 340 97.956 -2.374 -3.393 1.00 0.74 N ATOM 356 CA ALA A 340 98.371 -1.271 -4.307 1.00 0.93 C ATOM 357 C ALA A 340 99.643 -1.658 -5.062 1.00 1.36 C ATOM 358 O ALA A 340 100.046 -0.998 -6.000 1.00 2.24 O ATOM 359 CB ALA A 340 98.640 -0.082 -3.383 1.00 0.82 C ATOM 0 H ALA A 340 98.071 -2.178 -2.399 1.00 0.74 H new ATOM 0 HA ALA A 340 97.613 -1.047 -5.058 1.00 0.93 H new ATOM 0 HB1 ALA A 340 98.952 0.777 -3.977 1.00 0.82 H new ATOM 0 HB2 ALA A 340 97.731 0.166 -2.836 1.00 0.82 H new ATOM 0 HB3 ALA A 340 99.429 -0.341 -2.677 1.00 0.82 H new ATOM 365 N SER A 341 100.240 -2.760 -4.704 1.00 1.07 N ATOM 366 CA SER A 341 101.441 -3.230 -5.453 1.00 1.44 C ATOM 367 C SER A 341 101.025 -4.236 -6.526 1.00 1.51 C ATOM 368 O SER A 341 101.753 -4.495 -7.463 1.00 2.65 O ATOM 369 CB SER A 341 102.342 -3.884 -4.406 1.00 2.84 C ATOM 370 OG SER A 341 101.538 -4.432 -3.371 1.00 3.56 O ATOM 0 H SER A 341 99.950 -3.355 -3.928 1.00 1.07 H new ATOM 0 HA SER A 341 101.956 -2.417 -5.965 1.00 1.44 H new ATOM 0 HB2 SER A 341 102.945 -4.666 -4.866 1.00 2.84 H new ATOM 0 HB3 SER A 341 103.034 -3.149 -3.994 1.00 2.84 H new ATOM 0 HG SER A 341 100.774 -4.903 -3.765 1.00 3.56 H new ATOM 376 N LEU A 342 99.819 -4.726 -6.451 1.00 1.19 N ATOM 377 CA LEU A 342 99.316 -5.621 -7.531 1.00 2.40 C ATOM 378 C LEU A 342 99.431 -4.919 -8.884 1.00 2.59 C ATOM 379 O LEU A 342 99.521 -5.547 -9.920 1.00 3.62 O ATOM 380 CB LEU A 342 97.845 -5.869 -7.195 1.00 3.39 C ATOM 381 CG LEU A 342 97.730 -6.529 -5.823 1.00 3.93 C ATOM 382 CD1 LEU A 342 96.273 -6.926 -5.574 1.00 4.36 C ATOM 383 CD2 LEU A 342 98.612 -7.777 -5.786 1.00 3.74 C ATOM 0 H LEU A 342 99.162 -4.547 -5.692 1.00 1.19 H new ATOM 0 HA LEU A 342 99.884 -6.549 -7.592 1.00 2.40 H new ATOM 0 HB2 LEU A 342 97.297 -4.927 -7.202 1.00 3.39 H new ATOM 0 HB3 LEU A 342 97.392 -6.507 -7.954 1.00 3.39 H new ATOM 0 HG LEU A 342 98.055 -5.831 -5.051 1.00 3.93 H new ATOM 0 HD11 LEU A 342 96.187 -7.398 -4.595 1.00 4.36 H new ATOM 0 HD12 LEU A 342 95.643 -6.037 -5.605 1.00 4.36 H new ATOM 0 HD13 LEU A 342 95.950 -7.627 -6.344 1.00 4.36 H new ATOM 0 HD21 LEU A 342 98.532 -8.250 -4.807 1.00 3.74 H new ATOM 0 HD22 LEU A 342 98.285 -8.477 -6.555 1.00 3.74 H new ATOM 0 HD23 LEU A 342 99.649 -7.495 -5.969 1.00 3.74 H new ATOM 395 N ALA A 343 99.400 -3.614 -8.881 1.00 2.04 N ATOM 396 CA ALA A 343 99.474 -2.858 -10.163 1.00 2.90 C ATOM 397 C ALA A 343 100.931 -2.628 -10.575 1.00 2.34 C ATOM 398 O ALA A 343 101.224 -2.383 -11.729 1.00 2.96 O ATOM 399 CB ALA A 343 98.776 -1.528 -9.874 1.00 3.81 C ATOM 0 H ALA A 343 99.326 -3.037 -8.043 1.00 2.04 H new ATOM 0 HA ALA A 343 99.005 -3.398 -10.985 1.00 2.90 H new ATOM 0 HB1 ALA A 343 98.787 -0.909 -10.771 1.00 3.81 H new ATOM 0 HB2 ALA A 343 97.745 -1.716 -9.575 1.00 3.81 H new ATOM 0 HB3 ALA A 343 99.298 -1.010 -9.070 1.00 3.81 H new ATOM 405 N ASP A 344 101.849 -2.694 -9.649 1.00 1.46 N ATOM 406 CA ASP A 344 103.279 -2.465 -10.010 1.00 1.77 C ATOM 407 C ASP A 344 103.894 -3.751 -10.573 1.00 1.92 C ATOM 408 O ASP A 344 103.681 -4.831 -10.059 1.00 1.99 O ATOM 409 CB ASP A 344 103.964 -2.052 -8.702 1.00 1.69 C ATOM 410 CG ASP A 344 104.222 -3.284 -7.831 1.00 2.00 C ATOM 411 OD1 ASP A 344 104.981 -4.139 -8.257 1.00 2.84 O ATOM 412 OD2 ASP A 344 103.658 -3.350 -6.751 1.00 1.89 O ATOM 0 H ASP A 344 101.673 -2.895 -8.665 1.00 1.46 H new ATOM 0 HA ASP A 344 103.395 -1.701 -10.779 1.00 1.77 H new ATOM 0 HB2 ASP A 344 104.905 -1.547 -8.919 1.00 1.69 H new ATOM 0 HB3 ASP A 344 103.338 -1.341 -8.163 1.00 1.69 H new ATOM 417 N GLU A 345 104.655 -3.643 -11.628 1.00 2.10 N ATOM 418 CA GLU A 345 105.284 -4.859 -12.220 1.00 2.37 C ATOM 419 C GLU A 345 106.711 -5.027 -11.694 1.00 2.30 C ATOM 420 O GLU A 345 107.449 -5.886 -12.134 1.00 2.51 O ATOM 421 CB GLU A 345 105.290 -4.611 -13.728 1.00 2.66 C ATOM 422 CG GLU A 345 103.853 -4.443 -14.225 1.00 2.29 C ATOM 423 CD GLU A 345 103.854 -4.276 -15.745 1.00 2.60 C ATOM 424 OE1 GLU A 345 104.927 -4.129 -16.305 1.00 2.99 O ATOM 425 OE2 GLU A 345 102.780 -4.299 -16.325 1.00 2.87 O ATOM 0 H GLU A 345 104.868 -2.767 -12.105 1.00 2.10 H new ATOM 0 HA GLU A 345 104.744 -5.770 -11.962 1.00 2.37 H new ATOM 0 HB2 GLU A 345 105.872 -3.718 -13.958 1.00 2.66 H new ATOM 0 HB3 GLU A 345 105.768 -5.445 -14.242 1.00 2.66 H new ATOM 0 HG2 GLU A 345 103.256 -5.311 -13.944 1.00 2.29 H new ATOM 0 HG3 GLU A 345 103.393 -3.574 -13.754 1.00 2.29 H new ATOM 432 N THR A 346 107.102 -4.217 -10.751 1.00 2.06 N ATOM 433 CA THR A 346 108.478 -4.332 -10.190 1.00 2.06 C ATOM 434 C THR A 346 108.559 -5.516 -9.224 1.00 1.91 C ATOM 435 O THR A 346 107.605 -5.824 -8.538 1.00 1.73 O ATOM 436 CB THR A 346 108.716 -3.016 -9.446 1.00 2.02 C ATOM 437 OG1 THR A 346 107.644 -2.787 -8.543 1.00 1.96 O ATOM 438 CG2 THR A 346 108.794 -1.867 -10.453 1.00 2.07 C ATOM 0 H THR A 346 106.528 -3.479 -10.343 1.00 2.06 H new ATOM 0 HA THR A 346 109.225 -4.503 -10.965 1.00 2.06 H new ATOM 0 HB THR A 346 109.653 -3.073 -8.892 1.00 2.02 H new ATOM 0 HG1 THR A 346 107.995 -2.424 -7.703 1.00 1.96 H new ATOM 0 HG21 THR A 346 108.963 -0.930 -9.923 1.00 2.07 H new ATOM 0 HG22 THR A 346 109.616 -2.046 -11.146 1.00 2.07 H new ATOM 0 HG23 THR A 346 107.858 -1.806 -11.008 1.00 2.07 H new ATOM 446 N PRO A 347 109.704 -6.141 -9.203 1.00 2.03 N ATOM 447 CA PRO A 347 109.917 -7.307 -8.310 1.00 1.99 C ATOM 448 C PRO A 347 109.734 -6.895 -6.846 1.00 1.79 C ATOM 449 O PRO A 347 109.228 -7.649 -6.038 1.00 1.68 O ATOM 450 CB PRO A 347 111.365 -7.727 -8.578 1.00 2.25 C ATOM 451 CG PRO A 347 111.995 -6.582 -9.310 1.00 2.38 C ATOM 452 CD PRO A 347 110.891 -5.826 -9.997 1.00 2.29 C ATOM 0 HA PRO A 347 109.210 -8.115 -8.495 1.00 1.99 H new ATOM 0 HB2 PRO A 347 111.891 -7.932 -7.646 1.00 2.25 H new ATOM 0 HB3 PRO A 347 111.403 -8.640 -9.173 1.00 2.25 H new ATOM 0 HG2 PRO A 347 112.532 -5.933 -8.618 1.00 2.38 H new ATOM 0 HG3 PRO A 347 112.722 -6.944 -10.037 1.00 2.38 H new ATOM 0 HD2 PRO A 347 111.089 -4.754 -10.012 1.00 2.29 H new ATOM 0 HD3 PRO A 347 110.774 -6.143 -11.033 1.00 2.29 H new ATOM 460 N GLU A 348 110.127 -5.699 -6.501 1.00 1.76 N ATOM 461 CA GLU A 348 109.958 -5.237 -5.093 1.00 1.64 C ATOM 462 C GLU A 348 108.470 -5.157 -4.740 1.00 1.41 C ATOM 463 O GLU A 348 108.058 -5.503 -3.652 1.00 1.31 O ATOM 464 CB GLU A 348 110.594 -3.847 -5.053 1.00 1.72 C ATOM 465 CG GLU A 348 112.094 -3.966 -5.326 1.00 2.14 C ATOM 466 CD GLU A 348 112.742 -2.583 -5.225 1.00 2.49 C ATOM 467 OE1 GLU A 348 112.008 -1.613 -5.135 1.00 2.49 O ATOM 468 OE2 GLU A 348 113.960 -2.519 -5.240 1.00 3.25 O ATOM 0 H GLU A 348 110.557 -5.023 -7.132 1.00 1.76 H new ATOM 0 HA GLU A 348 110.419 -5.916 -4.376 1.00 1.64 H new ATOM 0 HB2 GLU A 348 110.128 -3.200 -5.797 1.00 1.72 H new ATOM 0 HB3 GLU A 348 110.426 -3.386 -4.080 1.00 1.72 H new ATOM 0 HG2 GLU A 348 112.552 -4.647 -4.609 1.00 2.14 H new ATOM 0 HG3 GLU A 348 112.262 -4.387 -6.317 1.00 2.14 H new ATOM 475 N GLY A 349 107.654 -4.745 -5.671 1.00 1.42 N ATOM 476 CA GLY A 349 106.189 -4.692 -5.405 1.00 1.30 C ATOM 477 C GLY A 349 105.684 -6.091 -5.056 1.00 1.23 C ATOM 478 O GLY A 349 104.763 -6.253 -4.281 1.00 1.23 O ATOM 0 H GLY A 349 107.938 -4.443 -6.603 1.00 1.42 H new ATOM 0 HA2 GLY A 349 105.982 -4.004 -4.585 1.00 1.30 H new ATOM 0 HA3 GLY A 349 105.663 -4.312 -6.281 1.00 1.30 H new ATOM 482 N ARG A 350 106.364 -7.105 -5.514 1.00 1.19 N ATOM 483 CA ARG A 350 106.007 -8.486 -5.084 1.00 1.15 C ATOM 484 C ARG A 350 106.526 -8.735 -3.674 1.00 1.06 C ATOM 485 O ARG A 350 105.871 -9.351 -2.862 1.00 0.94 O ATOM 486 CB ARG A 350 106.701 -9.408 -6.082 1.00 1.18 C ATOM 487 CG ARG A 350 106.448 -8.896 -7.496 1.00 1.81 C ATOM 488 CD ARG A 350 107.016 -9.889 -8.512 1.00 2.33 C ATOM 489 NE ARG A 350 106.878 -9.211 -9.831 1.00 2.77 N ATOM 490 CZ ARG A 350 107.039 -9.886 -10.939 1.00 3.16 C ATOM 491 NH1 ARG A 350 107.325 -11.160 -10.897 1.00 3.46 N ATOM 492 NH2 ARG A 350 106.916 -9.286 -12.091 1.00 3.62 N ATOM 0 H ARG A 350 107.147 -7.038 -6.164 1.00 1.19 H new ATOM 0 HA ARG A 350 104.930 -8.652 -5.066 1.00 1.15 H new ATOM 0 HB2 ARG A 350 107.772 -9.442 -5.881 1.00 1.18 H new ATOM 0 HB3 ARG A 350 106.325 -10.426 -5.978 1.00 1.18 H new ATOM 0 HG2 ARG A 350 105.378 -8.765 -7.660 1.00 1.81 H new ATOM 0 HG3 ARG A 350 106.913 -7.919 -7.628 1.00 1.81 H new ATOM 0 HD2 ARG A 350 108.058 -10.123 -8.295 1.00 2.33 H new ATOM 0 HD3 ARG A 350 106.468 -10.831 -8.493 1.00 2.33 H new ATOM 0 HE ARG A 350 106.657 -8.216 -9.870 1.00 2.77 H new ATOM 0 HH11 ARG A 350 107.423 -11.631 -9.998 1.00 3.46 H new ATOM 0 HH12 ARG A 350 107.450 -11.683 -11.763 1.00 3.46 H new ATOM 0 HH21 ARG A 350 106.694 -8.291 -12.127 1.00 3.62 H new ATOM 0 HH22 ARG A 350 107.041 -9.812 -12.956 1.00 3.62 H new ATOM 506 N SER A 351 107.675 -8.218 -3.357 1.00 1.15 N ATOM 507 CA SER A 351 108.196 -8.390 -1.972 1.00 1.10 C ATOM 508 C SER A 351 107.154 -7.893 -0.964 1.00 0.97 C ATOM 509 O SER A 351 106.833 -8.563 -0.005 1.00 0.87 O ATOM 510 CB SER A 351 109.457 -7.529 -1.911 1.00 1.25 C ATOM 511 OG SER A 351 110.333 -7.906 -2.964 1.00 2.40 O ATOM 0 H SER A 351 108.274 -7.687 -3.989 1.00 1.15 H new ATOM 0 HA SER A 351 108.408 -9.432 -1.731 1.00 1.10 H new ATOM 0 HB2 SER A 351 109.196 -6.474 -1.999 1.00 1.25 H new ATOM 0 HB3 SER A 351 109.952 -7.655 -0.948 1.00 1.25 H new ATOM 0 HG SER A 351 111.142 -7.355 -2.929 1.00 2.40 H new ATOM 517 N ILE A 352 106.581 -6.749 -1.210 1.00 1.00 N ATOM 518 CA ILE A 352 105.512 -6.235 -0.306 1.00 0.93 C ATOM 519 C ILE A 352 104.270 -7.144 -0.341 1.00 0.80 C ATOM 520 O ILE A 352 103.765 -7.552 0.688 1.00 0.70 O ATOM 521 CB ILE A 352 105.208 -4.838 -0.851 1.00 1.08 C ATOM 522 CG1 ILE A 352 106.282 -3.871 -0.353 1.00 1.16 C ATOM 523 CG2 ILE A 352 103.834 -4.366 -0.375 1.00 1.16 C ATOM 524 CD1 ILE A 352 106.147 -2.532 -1.074 1.00 1.39 C ATOM 0 H ILE A 352 106.807 -6.145 -2.000 1.00 1.00 H new ATOM 0 HA ILE A 352 105.818 -6.212 0.740 1.00 0.93 H new ATOM 0 HB ILE A 352 105.205 -4.869 -1.941 1.00 1.08 H new ATOM 0 HG12 ILE A 352 106.184 -3.727 0.723 1.00 1.16 H new ATOM 0 HG13 ILE A 352 107.272 -4.291 -0.529 1.00 1.16 H new ATOM 0 HG21 ILE A 352 103.634 -3.371 -0.772 1.00 1.16 H new ATOM 0 HG22 ILE A 352 103.069 -5.058 -0.728 1.00 1.16 H new ATOM 0 HG23 ILE A 352 103.818 -4.332 0.714 1.00 1.16 H new ATOM 0 HD11 ILE A 352 106.915 -1.847 -0.715 1.00 1.39 H new ATOM 0 HD12 ILE A 352 106.268 -2.683 -2.147 1.00 1.39 H new ATOM 0 HD13 ILE A 352 105.162 -2.109 -0.875 1.00 1.39 H new ATOM 536 N VAL A 353 103.769 -7.466 -1.507 1.00 0.86 N ATOM 537 CA VAL A 353 102.557 -8.342 -1.584 1.00 0.82 C ATOM 538 C VAL A 353 102.807 -9.674 -0.865 1.00 0.77 C ATOM 539 O VAL A 353 101.953 -10.178 -0.159 1.00 0.77 O ATOM 540 CB VAL A 353 102.319 -8.573 -3.078 1.00 0.97 C ATOM 541 CG1 VAL A 353 101.344 -9.736 -3.266 1.00 1.18 C ATOM 542 CG2 VAL A 353 101.716 -7.310 -3.699 1.00 1.10 C ATOM 0 H VAL A 353 104.144 -7.163 -2.406 1.00 0.86 H new ATOM 0 HA VAL A 353 101.694 -7.883 -1.102 1.00 0.82 H new ATOM 0 HB VAL A 353 103.267 -8.806 -3.563 1.00 0.97 H new ATOM 0 HG11 VAL A 353 101.175 -9.900 -4.330 1.00 1.18 H new ATOM 0 HG12 VAL A 353 101.764 -10.638 -2.822 1.00 1.18 H new ATOM 0 HG13 VAL A 353 100.397 -9.499 -2.780 1.00 1.18 H new ATOM 0 HG21 VAL A 353 101.546 -7.473 -4.763 1.00 1.10 H new ATOM 0 HG22 VAL A 353 100.768 -7.081 -3.211 1.00 1.10 H new ATOM 0 HG23 VAL A 353 102.404 -6.475 -3.565 1.00 1.10 H new ATOM 552 N ILE A 354 104.029 -10.120 -0.849 1.00 0.79 N ATOM 553 CA ILE A 354 104.388 -11.265 0.038 1.00 0.84 C ATOM 554 C ILE A 354 104.247 -10.857 1.500 1.00 0.72 C ATOM 555 O ILE A 354 103.749 -11.602 2.316 1.00 0.77 O ATOM 556 CB ILE A 354 105.841 -11.572 -0.286 1.00 0.97 C ATOM 557 CG1 ILE A 354 105.960 -11.988 -1.755 1.00 1.21 C ATOM 558 CG2 ILE A 354 106.337 -12.703 0.616 1.00 1.11 C ATOM 559 CD1 ILE A 354 107.422 -11.902 -2.195 1.00 1.36 C ATOM 0 H ILE A 354 104.795 -9.745 -1.409 1.00 0.79 H new ATOM 0 HA ILE A 354 103.742 -12.129 -0.119 1.00 0.84 H new ATOM 0 HB ILE A 354 106.449 -10.684 -0.114 1.00 0.97 H new ATOM 0 HG12 ILE A 354 105.589 -13.004 -1.887 1.00 1.21 H new ATOM 0 HG13 ILE A 354 105.343 -11.340 -2.378 1.00 1.21 H new ATOM 0 HG21 ILE A 354 107.379 -12.923 0.384 1.00 1.11 H new ATOM 0 HG22 ILE A 354 106.254 -12.399 1.659 1.00 1.11 H new ATOM 0 HG23 ILE A 354 105.732 -13.594 0.449 1.00 1.11 H new ATOM 0 HD11 ILE A 354 107.505 -12.198 -3.241 1.00 1.36 H new ATOM 0 HD12 ILE A 354 107.777 -10.878 -2.079 1.00 1.36 H new ATOM 0 HD13 ILE A 354 108.027 -12.568 -1.580 1.00 1.36 H new ATOM 571 N LEU A 355 104.753 -9.717 1.853 1.00 0.63 N ATOM 572 CA LEU A 355 104.724 -9.307 3.285 1.00 0.62 C ATOM 573 C LEU A 355 103.327 -9.534 3.871 1.00 0.55 C ATOM 574 O LEU A 355 103.167 -10.163 4.895 1.00 0.61 O ATOM 575 CB LEU A 355 105.034 -7.814 3.268 1.00 0.64 C ATOM 576 CG LEU A 355 105.379 -7.335 4.682 1.00 0.73 C ATOM 577 CD1 LEU A 355 105.807 -5.867 4.639 1.00 1.14 C ATOM 578 CD2 LEU A 355 104.155 -7.478 5.589 1.00 1.15 C ATOM 0 H LEU A 355 105.186 -9.048 1.216 1.00 0.63 H new ATOM 0 HA LEU A 355 105.430 -9.876 3.889 1.00 0.62 H new ATOM 0 HB2 LEU A 355 105.867 -7.615 2.594 1.00 0.64 H new ATOM 0 HB3 LEU A 355 104.176 -7.260 2.887 1.00 0.64 H new ATOM 0 HG LEU A 355 106.195 -7.941 5.074 1.00 0.73 H new ATOM 0 HD11 LEU A 355 106.052 -5.530 5.646 1.00 1.14 H new ATOM 0 HD12 LEU A 355 106.683 -5.762 3.998 1.00 1.14 H new ATOM 0 HD13 LEU A 355 104.992 -5.262 4.242 1.00 1.14 H new ATOM 0 HD21 LEU A 355 104.405 -7.136 6.594 1.00 1.15 H new ATOM 0 HD22 LEU A 355 103.337 -6.876 5.194 1.00 1.15 H new ATOM 0 HD23 LEU A 355 103.850 -8.524 5.627 1.00 1.15 H new ATOM 590 N ALA A 356 102.311 -9.061 3.207 1.00 0.52 N ATOM 591 CA ALA A 356 100.928 -9.290 3.718 1.00 0.54 C ATOM 592 C ALA A 356 100.616 -10.791 3.685 1.00 0.53 C ATOM 593 O ALA A 356 99.968 -11.336 4.564 1.00 0.57 O ATOM 594 CB ALA A 356 100.007 -8.510 2.767 1.00 0.61 C ATOM 0 H ALA A 356 102.375 -8.529 2.339 1.00 0.52 H new ATOM 0 HA ALA A 356 100.798 -8.957 4.748 1.00 0.54 H new ATOM 0 HB1 ALA A 356 98.971 -8.633 3.082 1.00 0.61 H new ATOM 0 HB2 ALA A 356 100.271 -7.453 2.791 1.00 0.61 H new ATOM 0 HB3 ALA A 356 100.125 -8.891 1.752 1.00 0.61 H new ATOM 600 N LYS A 357 101.082 -11.474 2.681 1.00 0.57 N ATOM 601 CA LYS A 357 100.809 -12.938 2.605 1.00 0.68 C ATOM 602 C LYS A 357 101.341 -13.662 3.847 1.00 0.79 C ATOM 603 O LYS A 357 100.643 -14.426 4.467 1.00 0.93 O ATOM 604 CB LYS A 357 101.538 -13.426 1.361 1.00 0.88 C ATOM 605 CG LYS A 357 101.367 -14.940 1.255 1.00 0.97 C ATOM 606 CD LYS A 357 99.998 -15.260 0.651 1.00 1.16 C ATOM 607 CE LYS A 357 99.849 -16.775 0.497 1.00 0.90 C ATOM 608 NZ LYS A 357 98.832 -16.954 -0.576 1.00 1.15 N ATOM 0 H LYS A 357 101.635 -11.090 1.915 1.00 0.57 H new ATOM 0 HA LYS A 357 99.739 -13.138 2.558 1.00 0.68 H new ATOM 0 HB2 LYS A 357 101.138 -12.938 0.473 1.00 0.88 H new ATOM 0 HB3 LYS A 357 102.596 -13.168 1.417 1.00 0.88 H new ATOM 0 HG2 LYS A 357 102.157 -15.363 0.635 1.00 0.97 H new ATOM 0 HG3 LYS A 357 101.457 -15.396 2.241 1.00 0.97 H new ATOM 0 HD2 LYS A 357 99.206 -14.869 1.290 1.00 1.16 H new ATOM 0 HD3 LYS A 357 99.894 -14.773 -0.319 1.00 1.16 H new ATOM 0 HE2 LYS A 357 100.797 -17.239 0.224 1.00 0.90 H new ATOM 0 HE3 LYS A 357 99.525 -17.237 1.430 1.00 0.90 H new ATOM 0 HZ1 LYS A 357 98.675 -17.969 -0.740 1.00 1.15 H new ATOM 0 HZ2 LYS A 357 97.939 -16.508 -0.285 1.00 1.15 H new ATOM 0 HZ3 LYS A 357 99.171 -16.510 -1.453 1.00 1.15 H new ATOM 622 N GLN A 358 102.586 -13.484 4.184 1.00 0.80 N ATOM 623 CA GLN A 358 103.139 -14.234 5.349 1.00 1.01 C ATOM 624 C GLN A 358 102.504 -13.732 6.650 1.00 1.05 C ATOM 625 O GLN A 358 102.212 -14.499 7.546 1.00 1.25 O ATOM 626 CB GLN A 358 104.644 -13.954 5.335 1.00 1.03 C ATOM 627 CG GLN A 358 104.893 -12.463 5.551 1.00 0.99 C ATOM 628 CD GLN A 358 106.383 -12.163 5.375 1.00 1.21 C ATOM 629 OE1 GLN A 358 107.017 -12.680 4.477 1.00 1.62 O ATOM 630 NE2 GLN A 358 106.973 -11.341 6.200 1.00 1.90 N ATOM 0 H GLN A 358 103.240 -12.860 3.711 1.00 0.80 H new ATOM 0 HA GLN A 358 102.930 -15.302 5.287 1.00 1.01 H new ATOM 0 HB2 GLN A 358 105.138 -14.532 6.116 1.00 1.03 H new ATOM 0 HB3 GLN A 358 105.074 -14.270 4.384 1.00 1.03 H new ATOM 0 HG2 GLN A 358 104.307 -11.879 4.841 1.00 0.99 H new ATOM 0 HG3 GLN A 358 104.568 -12.170 6.549 1.00 0.99 H new ATOM 0 HE21 GLN A 358 106.441 -10.906 6.954 1.00 1.90 H new ATOM 0 HE22 GLN A 358 107.966 -11.133 6.090 1.00 1.90 H new ATOM 639 N ARG A 359 102.335 -12.444 6.778 1.00 0.93 N ATOM 640 CA ARG A 359 101.774 -11.882 8.040 1.00 1.10 C ATOM 641 C ARG A 359 100.306 -12.284 8.225 1.00 1.09 C ATOM 642 O ARG A 359 99.859 -12.519 9.330 1.00 1.55 O ATOM 643 CB ARG A 359 101.890 -10.367 7.881 1.00 1.08 C ATOM 644 CG ARG A 359 103.365 -9.973 7.788 1.00 1.26 C ATOM 645 CD ARG A 359 104.065 -10.294 9.111 1.00 1.27 C ATOM 646 NE ARG A 359 105.445 -9.758 8.956 1.00 1.47 N ATOM 647 CZ ARG A 359 106.180 -9.517 10.009 1.00 1.98 C ATOM 648 NH1 ARG A 359 105.709 -9.743 11.207 1.00 2.63 N ATOM 649 NH2 ARG A 359 107.389 -9.047 9.864 1.00 2.38 N ATOM 0 H ARG A 359 102.562 -11.755 6.061 1.00 0.93 H new ATOM 0 HA ARG A 359 102.307 -12.254 8.915 1.00 1.10 H new ATOM 0 HB2 ARG A 359 101.359 -10.043 6.986 1.00 1.08 H new ATOM 0 HB3 ARG A 359 101.422 -9.865 8.728 1.00 1.08 H new ATOM 0 HG2 ARG A 359 103.845 -10.511 6.971 1.00 1.26 H new ATOM 0 HG3 ARG A 359 103.455 -8.910 7.566 1.00 1.26 H new ATOM 0 HD2 ARG A 359 103.552 -9.827 9.952 1.00 1.27 H new ATOM 0 HD3 ARG A 359 104.077 -11.367 9.301 1.00 1.27 H new ATOM 0 HE ARG A 359 105.818 -9.578 8.024 1.00 1.47 H new ATOM 0 HH11 ARG A 359 104.764 -10.109 11.323 1.00 2.63 H new ATOM 0 HH12 ARG A 359 106.286 -9.553 12.026 1.00 2.63 H new ATOM 0 HH21 ARG A 359 107.758 -8.869 8.930 1.00 2.38 H new ATOM 0 HH22 ARG A 359 107.965 -8.858 10.685 1.00 2.38 H new ATOM 663 N PHE A 360 99.534 -12.305 7.170 1.00 0.70 N ATOM 664 CA PHE A 360 98.083 -12.621 7.331 1.00 0.74 C ATOM 665 C PHE A 360 97.744 -13.923 6.612 1.00 0.74 C ATOM 666 O PHE A 360 96.714 -14.525 6.843 1.00 1.09 O ATOM 667 CB PHE A 360 97.349 -11.438 6.703 1.00 0.85 C ATOM 668 CG PHE A 360 97.608 -10.206 7.534 1.00 1.28 C ATOM 669 CD1 PHE A 360 96.836 -9.961 8.678 1.00 2.03 C ATOM 670 CD2 PHE A 360 98.625 -9.313 7.169 1.00 1.78 C ATOM 671 CE1 PHE A 360 97.080 -8.822 9.457 1.00 3.03 C ATOM 672 CE2 PHE A 360 98.870 -8.174 7.949 1.00 2.74 C ATOM 673 CZ PHE A 360 98.098 -7.929 9.093 1.00 3.32 C ATOM 0 H PHE A 360 99.840 -12.120 6.215 1.00 0.70 H new ATOM 0 HA PHE A 360 97.800 -12.761 8.374 1.00 0.74 H new ATOM 0 HB2 PHE A 360 97.692 -11.282 5.680 1.00 0.85 H new ATOM 0 HB3 PHE A 360 96.279 -11.641 6.653 1.00 0.85 H new ATOM 0 HD1 PHE A 360 96.053 -10.650 8.959 1.00 2.03 H new ATOM 0 HD2 PHE A 360 99.219 -9.502 6.287 1.00 1.78 H new ATOM 0 HE1 PHE A 360 96.484 -8.632 10.337 1.00 3.03 H new ATOM 0 HE2 PHE A 360 99.653 -7.486 7.668 1.00 2.74 H new ATOM 0 HZ PHE A 360 98.287 -7.052 9.694 1.00 3.32 H new ATOM 683 N ASN A 361 98.618 -14.374 5.763 1.00 0.72 N ATOM 684 CA ASN A 361 98.367 -15.658 5.051 1.00 0.77 C ATOM 685 C ASN A 361 97.094 -15.552 4.223 1.00 0.91 C ATOM 686 O ASN A 361 96.214 -16.389 4.292 1.00 1.34 O ATOM 687 CB ASN A 361 98.207 -16.694 6.161 1.00 0.79 C ATOM 688 CG ASN A 361 98.260 -18.101 5.562 1.00 1.27 C ATOM 689 OD1 ASN A 361 97.246 -18.757 5.434 1.00 1.68 O ATOM 690 ND2 ASN A 361 99.410 -18.595 5.189 1.00 1.90 N ATOM 0 H ASN A 361 99.496 -13.911 5.529 1.00 0.72 H new ATOM 0 HA ASN A 361 99.171 -15.921 4.363 1.00 0.77 H new ATOM 0 HB2 ASN A 361 98.998 -16.573 6.902 1.00 0.79 H new ATOM 0 HB3 ASN A 361 97.260 -16.544 6.679 1.00 0.79 H new ATOM 0 HD21 ASN A 361 99.457 -19.532 4.790 1.00 1.90 H new ATOM 0 HD22 ASN A 361 100.261 -18.043 5.297 1.00 1.90 H new ATOM 697 N LEU A 362 96.991 -14.516 3.445 1.00 0.88 N ATOM 698 CA LEU A 362 95.775 -14.327 2.609 1.00 1.13 C ATOM 699 C LEU A 362 96.179 -14.026 1.163 1.00 1.12 C ATOM 700 O LEU A 362 97.349 -13.970 0.839 1.00 1.73 O ATOM 701 CB LEU A 362 95.062 -13.133 3.236 1.00 1.68 C ATOM 702 CG LEU A 362 94.978 -13.342 4.748 1.00 2.21 C ATOM 703 CD1 LEU A 362 94.378 -12.098 5.405 1.00 2.65 C ATOM 704 CD2 LEU A 362 94.088 -14.551 5.043 1.00 2.80 C ATOM 0 H LEU A 362 97.699 -13.788 3.351 1.00 0.88 H new ATOM 0 HA LEU A 362 95.138 -15.211 2.579 1.00 1.13 H new ATOM 0 HB2 LEU A 362 95.601 -12.212 3.012 1.00 1.68 H new ATOM 0 HB3 LEU A 362 94.062 -13.027 2.814 1.00 1.68 H new ATOM 0 HG LEU A 362 95.977 -13.516 5.147 1.00 2.21 H new ATOM 0 HD11 LEU A 362 94.319 -12.249 6.483 1.00 2.65 H new ATOM 0 HD12 LEU A 362 95.009 -11.235 5.193 1.00 2.65 H new ATOM 0 HD13 LEU A 362 93.378 -11.923 5.008 1.00 2.65 H new ATOM 0 HD21 LEU A 362 94.026 -14.703 6.121 1.00 2.80 H new ATOM 0 HD22 LEU A 362 93.089 -14.374 4.643 1.00 2.80 H new ATOM 0 HD23 LEU A 362 94.514 -15.439 4.575 1.00 2.80 H new ATOM 716 N ARG A 363 95.230 -13.815 0.293 1.00 1.10 N ATOM 717 CA ARG A 363 95.581 -13.500 -1.118 1.00 1.09 C ATOM 718 C ARG A 363 95.326 -12.020 -1.400 1.00 0.86 C ATOM 719 O ARG A 363 94.494 -11.394 -0.775 1.00 1.03 O ATOM 720 CB ARG A 363 94.655 -14.374 -1.965 1.00 1.21 C ATOM 721 CG ARG A 363 93.216 -13.878 -1.817 1.00 2.11 C ATOM 722 CD ARG A 363 92.259 -14.889 -2.455 1.00 2.74 C ATOM 723 NE ARG A 363 90.915 -14.255 -2.365 1.00 3.36 N ATOM 724 CZ ARG A 363 89.878 -14.829 -2.916 1.00 3.92 C ATOM 725 NH1 ARG A 363 90.014 -15.963 -3.552 1.00 4.21 N ATOM 726 NH2 ARG A 363 88.703 -14.268 -2.832 1.00 4.40 N ATOM 0 H ARG A 363 94.231 -13.847 0.498 1.00 1.10 H new ATOM 0 HA ARG A 363 96.631 -13.693 -1.337 1.00 1.09 H new ATOM 0 HB2 ARG A 363 94.958 -14.338 -3.011 1.00 1.21 H new ATOM 0 HB3 ARG A 363 94.728 -15.414 -1.648 1.00 1.21 H new ATOM 0 HG2 ARG A 363 92.972 -13.746 -0.763 1.00 2.11 H new ATOM 0 HG3 ARG A 363 93.105 -12.904 -2.294 1.00 2.11 H new ATOM 0 HD2 ARG A 363 92.532 -15.092 -3.491 1.00 2.74 H new ATOM 0 HD3 ARG A 363 92.282 -15.842 -1.927 1.00 2.74 H new ATOM 0 HE ARG A 363 90.803 -13.369 -1.872 1.00 3.36 H new ATOM 0 HH11 ARG A 363 90.932 -16.403 -3.620 1.00 4.21 H new ATOM 0 HH12 ARG A 363 89.202 -16.408 -3.981 1.00 4.21 H new ATOM 0 HH21 ARG A 363 88.595 -13.383 -2.337 1.00 4.40 H new ATOM 0 HH22 ARG A 363 87.893 -14.715 -3.261 1.00 4.40 H new ATOM 740 N GLU A 364 96.027 -11.458 -2.343 1.00 0.74 N ATOM 741 CA GLU A 364 95.813 -10.022 -2.672 1.00 0.86 C ATOM 742 C GLU A 364 94.431 -9.835 -3.296 1.00 1.02 C ATOM 743 O GLU A 364 93.625 -10.744 -3.319 1.00 0.95 O ATOM 744 CB GLU A 364 96.912 -9.677 -3.673 1.00 0.96 C ATOM 745 CG GLU A 364 98.276 -9.860 -3.007 1.00 1.26 C ATOM 746 CD GLU A 364 98.394 -8.907 -1.816 1.00 1.69 C ATOM 747 OE1 GLU A 364 97.631 -7.956 -1.765 1.00 2.21 O ATOM 748 OE2 GLU A 364 99.245 -9.143 -0.974 1.00 2.24 O ATOM 0 H GLU A 364 96.739 -11.930 -2.900 1.00 0.74 H new ATOM 0 HA GLU A 364 95.855 -9.379 -1.793 1.00 0.86 H new ATOM 0 HB2 GLU A 364 96.834 -10.318 -4.551 1.00 0.96 H new ATOM 0 HB3 GLU A 364 96.797 -8.649 -4.017 1.00 0.96 H new ATOM 0 HG2 GLU A 364 98.395 -10.891 -2.674 1.00 1.26 H new ATOM 0 HG3 GLU A 364 99.072 -9.663 -3.725 1.00 1.26 H new ATOM 755 N ARG A 365 94.126 -8.653 -3.754 1.00 1.36 N ATOM 756 CA ARG A 365 92.765 -8.418 -4.313 1.00 1.73 C ATOM 757 C ARG A 365 92.818 -8.371 -5.840 1.00 1.59 C ATOM 758 O ARG A 365 93.639 -7.689 -6.420 1.00 1.56 O ATOM 759 CB ARG A 365 92.327 -7.063 -3.754 1.00 1.83 C ATOM 760 CG ARG A 365 92.214 -7.148 -2.231 1.00 2.15 C ATOM 761 CD ARG A 365 91.549 -5.875 -1.700 1.00 2.41 C ATOM 762 NE ARG A 365 92.328 -4.755 -2.297 1.00 3.18 N ATOM 763 CZ ARG A 365 91.798 -3.564 -2.395 1.00 3.60 C ATOM 764 NH1 ARG A 365 90.589 -3.342 -1.954 1.00 4.16 N ATOM 765 NH2 ARG A 365 92.482 -2.593 -2.933 1.00 3.72 N ATOM 0 H ARG A 365 94.752 -7.848 -3.766 1.00 1.36 H new ATOM 0 HA ARG A 365 92.071 -9.214 -4.042 1.00 1.73 H new ATOM 0 HB2 ARG A 365 93.047 -6.293 -4.033 1.00 1.83 H new ATOM 0 HB3 ARG A 365 91.368 -6.774 -4.184 1.00 1.83 H new ATOM 0 HG2 ARG A 365 91.629 -8.023 -1.947 1.00 2.15 H new ATOM 0 HG3 ARG A 365 93.203 -7.267 -1.788 1.00 2.15 H new ATOM 0 HD2 ARG A 365 90.500 -5.826 -1.993 1.00 2.41 H new ATOM 0 HD3 ARG A 365 91.578 -5.839 -0.611 1.00 2.41 H new ATOM 0 HE ARG A 365 93.278 -4.918 -2.631 1.00 3.18 H new ATOM 0 HH11 ARG A 365 90.053 -4.100 -1.531 1.00 4.16 H new ATOM 0 HH12 ARG A 365 90.180 -2.411 -2.033 1.00 4.16 H new ATOM 0 HH21 ARG A 365 93.427 -2.764 -3.276 1.00 3.72 H new ATOM 0 HH22 ARG A 365 92.072 -1.662 -3.011 1.00 3.72 H new ATOM 779 N ASP A 366 91.902 -9.030 -6.495 1.00 1.70 N ATOM 780 CA ASP A 366 91.855 -8.948 -7.980 1.00 1.93 C ATOM 781 C ASP A 366 91.160 -7.663 -8.402 1.00 2.04 C ATOM 782 O ASP A 366 90.062 -7.360 -7.979 1.00 2.65 O ATOM 783 CB ASP A 366 91.055 -10.156 -8.438 1.00 2.62 C ATOM 784 CG ASP A 366 91.150 -10.285 -9.960 1.00 2.50 C ATOM 785 OD1 ASP A 366 91.899 -9.527 -10.554 1.00 2.86 O ATOM 786 OD2 ASP A 366 90.473 -11.141 -10.505 1.00 2.50 O ATOM 0 H ASP A 366 91.187 -9.619 -6.067 1.00 1.70 H new ATOM 0 HA ASP A 366 92.853 -8.943 -8.419 1.00 1.93 H new ATOM 0 HB2 ASP A 366 91.436 -11.059 -7.962 1.00 2.62 H new ATOM 0 HB3 ASP A 366 90.013 -10.051 -8.136 1.00 2.62 H new ATOM 791 N VAL A 367 91.812 -6.898 -9.210 1.00 1.75 N ATOM 792 CA VAL A 367 91.233 -5.601 -9.654 1.00 2.31 C ATOM 793 C VAL A 367 90.065 -5.839 -10.616 1.00 2.53 C ATOM 794 O VAL A 367 89.080 -5.128 -10.596 1.00 3.04 O ATOM 795 CB VAL A 367 92.384 -4.888 -10.363 1.00 2.28 C ATOM 796 CG1 VAL A 367 91.850 -3.667 -11.109 1.00 2.89 C ATOM 797 CG2 VAL A 367 93.423 -4.437 -9.333 1.00 2.52 C ATOM 0 H VAL A 367 92.734 -7.111 -9.591 1.00 1.75 H new ATOM 0 HA VAL A 367 90.836 -5.015 -8.825 1.00 2.31 H new ATOM 0 HB VAL A 367 92.848 -5.574 -11.072 1.00 2.28 H new ATOM 0 HG11 VAL A 367 92.673 -3.160 -11.614 1.00 2.89 H new ATOM 0 HG12 VAL A 367 91.113 -3.985 -11.846 1.00 2.89 H new ATOM 0 HG13 VAL A 367 91.383 -2.983 -10.400 1.00 2.89 H new ATOM 0 HG21 VAL A 367 94.243 -3.929 -9.841 1.00 2.52 H new ATOM 0 HG22 VAL A 367 92.958 -3.754 -8.622 1.00 2.52 H new ATOM 0 HG23 VAL A 367 93.809 -5.306 -8.801 1.00 2.52 H new ATOM 807 N GLN A 368 90.211 -6.764 -11.524 1.00 2.20 N ATOM 808 CA GLN A 368 89.154 -6.958 -12.560 1.00 2.40 C ATOM 809 C GLN A 368 87.934 -7.676 -11.974 1.00 2.11 C ATOM 810 O GLN A 368 86.823 -7.490 -12.432 1.00 2.30 O ATOM 811 CB GLN A 368 89.800 -7.807 -13.652 1.00 2.46 C ATOM 812 CG GLN A 368 88.865 -7.855 -14.861 1.00 3.09 C ATOM 813 CD GLN A 368 89.551 -8.596 -16.011 1.00 3.29 C ATOM 814 OE1 GLN A 368 90.719 -8.921 -15.928 1.00 3.32 O ATOM 815 NE2 GLN A 368 88.870 -8.879 -17.087 1.00 3.69 N ATOM 0 H GLN A 368 91.012 -7.392 -11.595 1.00 2.20 H new ATOM 0 HA GLN A 368 88.797 -6.003 -12.945 1.00 2.40 H new ATOM 0 HB2 GLN A 368 90.763 -7.385 -13.937 1.00 2.46 H new ATOM 0 HB3 GLN A 368 89.991 -8.815 -13.283 1.00 2.46 H new ATOM 0 HG2 GLN A 368 87.935 -8.357 -14.595 1.00 3.09 H new ATOM 0 HG3 GLN A 368 88.603 -6.843 -15.171 1.00 3.09 H new ATOM 0 HE21 GLN A 368 87.890 -8.606 -17.157 1.00 3.69 H new ATOM 0 HE22 GLN A 368 89.318 -9.373 -17.859 1.00 3.69 H new ATOM 824 N SER A 369 88.095 -8.346 -10.867 1.00 1.80 N ATOM 825 CA SER A 369 86.896 -8.884 -10.161 1.00 1.87 C ATOM 826 C SER A 369 86.171 -7.734 -9.464 1.00 1.79 C ATOM 827 O SER A 369 84.961 -7.713 -9.368 1.00 2.27 O ATOM 828 CB SER A 369 87.434 -9.890 -9.144 1.00 2.47 C ATOM 829 OG SER A 369 88.096 -9.192 -8.098 1.00 3.05 O ATOM 0 H SER A 369 88.992 -8.543 -10.424 1.00 1.80 H new ATOM 0 HA SER A 369 86.185 -9.359 -10.837 1.00 1.87 H new ATOM 0 HB2 SER A 369 86.617 -10.487 -8.738 1.00 2.47 H new ATOM 0 HB3 SER A 369 88.123 -10.581 -9.629 1.00 2.47 H new ATOM 0 HG SER A 369 88.752 -8.573 -8.482 1.00 3.05 H new ATOM 835 N LEU A 370 86.895 -6.703 -9.132 1.00 1.38 N ATOM 836 CA LEU A 370 86.245 -5.465 -8.623 1.00 1.39 C ATOM 837 C LEU A 370 86.025 -4.486 -9.779 1.00 1.12 C ATOM 838 O LEU A 370 85.643 -3.352 -9.574 1.00 1.30 O ATOM 839 CB LEU A 370 87.245 -4.889 -7.622 1.00 1.54 C ATOM 840 CG LEU A 370 87.601 -5.956 -6.588 1.00 1.39 C ATOM 841 CD1 LEU A 370 88.761 -5.460 -5.724 1.00 1.80 C ATOM 842 CD2 LEU A 370 86.386 -6.229 -5.700 1.00 2.14 C ATOM 0 H LEU A 370 87.913 -6.665 -9.192 1.00 1.38 H new ATOM 0 HA LEU A 370 85.272 -5.655 -8.169 1.00 1.39 H new ATOM 0 HB2 LEU A 370 88.144 -4.555 -8.140 1.00 1.54 H new ATOM 0 HB3 LEU A 370 86.819 -4.016 -7.128 1.00 1.54 H new ATOM 0 HG LEU A 370 87.893 -6.874 -7.098 1.00 1.39 H new ATOM 0 HD11 LEU A 370 89.016 -6.220 -4.986 1.00 1.80 H new ATOM 0 HD12 LEU A 370 89.627 -5.263 -6.356 1.00 1.80 H new ATOM 0 HD13 LEU A 370 88.468 -4.543 -5.213 1.00 1.80 H new ATOM 0 HD21 LEU A 370 86.639 -6.990 -4.962 1.00 2.14 H new ATOM 0 HD22 LEU A 370 86.095 -5.311 -5.190 1.00 2.14 H new ATOM 0 HD23 LEU A 370 85.558 -6.581 -6.315 1.00 2.14 H new ATOM 854 N HIS A 371 86.393 -4.869 -10.975 1.00 1.29 N ATOM 855 CA HIS A 371 86.343 -3.898 -12.103 1.00 1.13 C ATOM 856 C HIS A 371 87.170 -2.670 -11.736 1.00 1.00 C ATOM 857 O HIS A 371 86.844 -1.552 -12.082 1.00 1.35 O ATOM 858 CB HIS A 371 84.876 -3.522 -12.231 1.00 1.54 C ATOM 859 CG HIS A 371 84.043 -4.768 -12.358 1.00 1.50 C ATOM 860 ND1 HIS A 371 84.078 -5.568 -13.489 1.00 1.97 N ATOM 861 CD2 HIS A 371 83.149 -5.365 -11.503 1.00 1.80 C ATOM 862 CE1 HIS A 371 83.228 -6.592 -13.288 1.00 2.10 C ATOM 863 NE2 HIS A 371 82.635 -6.516 -12.093 1.00 1.80 N ATOM 0 H HIS A 371 86.723 -5.804 -11.216 1.00 1.29 H new ATOM 0 HA HIS A 371 86.739 -4.306 -13.033 1.00 1.13 H new ATOM 0 HB2 HIS A 371 84.560 -2.949 -11.359 1.00 1.54 H new ATOM 0 HB3 HIS A 371 84.729 -2.884 -13.102 1.00 1.54 H new ATOM 0 HD2 HIS A 371 82.885 -4.997 -10.522 1.00 1.80 H new ATOM 0 HE1 HIS A 371 83.047 -7.379 -14.005 1.00 2.10 H new ATOM 0 HE2 HIS A 371 81.952 -7.163 -11.698 1.00 1.80 H new ATOM 871 N ALA A 372 88.211 -2.879 -10.991 1.00 0.75 N ATOM 872 CA ALA A 372 89.054 -1.741 -10.528 1.00 0.94 C ATOM 873 C ALA A 372 90.174 -1.456 -11.536 1.00 0.90 C ATOM 874 O ALA A 372 90.121 -1.865 -12.678 1.00 1.04 O ATOM 875 CB ALA A 372 89.639 -2.200 -9.193 1.00 1.12 C ATOM 0 H ALA A 372 88.521 -3.799 -10.677 1.00 0.75 H new ATOM 0 HA ALA A 372 88.480 -0.820 -10.429 1.00 0.94 H new ATOM 0 HB1 ALA A 372 90.275 -1.414 -8.785 1.00 1.12 H new ATOM 0 HB2 ALA A 372 88.829 -2.411 -8.494 1.00 1.12 H new ATOM 0 HB3 ALA A 372 90.231 -3.103 -9.346 1.00 1.12 H new ATOM 881 N THR A 373 91.155 -0.708 -11.122 1.00 0.85 N ATOM 882 CA THR A 373 92.266 -0.321 -12.041 1.00 0.95 C ATOM 883 C THR A 373 93.616 -0.459 -11.337 1.00 0.93 C ATOM 884 O THR A 373 93.768 -0.087 -10.195 1.00 0.95 O ATOM 885 CB THR A 373 92.006 1.146 -12.371 1.00 1.32 C ATOM 886 OG1 THR A 373 90.810 1.262 -13.129 1.00 2.11 O ATOM 887 CG2 THR A 373 93.184 1.714 -13.162 1.00 1.90 C ATOM 0 H THR A 373 91.238 -0.342 -10.174 1.00 0.85 H new ATOM 0 HA THR A 373 92.299 -0.953 -12.929 1.00 0.95 H new ATOM 0 HB THR A 373 91.896 1.710 -11.445 1.00 1.32 H new ATOM 0 HG1 THR A 373 90.645 2.205 -13.338 1.00 2.11 H new ATOM 0 HG21 THR A 373 92.994 2.762 -13.396 1.00 1.90 H new ATOM 0 HG22 THR A 373 94.094 1.634 -12.567 1.00 1.90 H new ATOM 0 HG23 THR A 373 93.305 1.152 -14.088 1.00 1.90 H new ATOM 895 N PHE A 374 94.624 -0.870 -12.046 1.00 1.01 N ATOM 896 CA PHE A 374 95.995 -0.888 -11.454 1.00 1.25 C ATOM 897 C PHE A 374 96.703 0.443 -11.747 1.00 1.63 C ATOM 898 O PHE A 374 96.643 0.951 -12.850 1.00 1.61 O ATOM 899 CB PHE A 374 96.730 -2.022 -12.177 1.00 1.33 C ATOM 900 CG PHE A 374 96.171 -3.365 -11.772 1.00 1.63 C ATOM 901 CD1 PHE A 374 96.511 -3.926 -10.530 1.00 1.41 C ATOM 902 CD2 PHE A 374 95.324 -4.061 -12.646 1.00 2.53 C ATOM 903 CE1 PHE A 374 96.002 -5.180 -10.166 1.00 1.89 C ATOM 904 CE2 PHE A 374 94.818 -5.316 -12.281 1.00 3.09 C ATOM 905 CZ PHE A 374 95.157 -5.875 -11.041 1.00 2.72 C ATOM 0 H PHE A 374 94.563 -1.195 -13.011 1.00 1.01 H new ATOM 0 HA PHE A 374 95.972 -1.030 -10.373 1.00 1.25 H new ATOM 0 HB2 PHE A 374 96.636 -1.894 -13.255 1.00 1.33 H new ATOM 0 HB3 PHE A 374 97.794 -1.980 -11.943 1.00 1.33 H new ATOM 0 HD1 PHE A 374 97.164 -3.391 -9.856 1.00 1.41 H new ATOM 0 HD2 PHE A 374 95.061 -3.630 -13.601 1.00 2.53 H new ATOM 0 HE1 PHE A 374 96.261 -5.611 -9.210 1.00 1.89 H new ATOM 0 HE2 PHE A 374 94.167 -5.852 -12.955 1.00 3.09 H new ATOM 0 HZ PHE A 374 94.767 -6.842 -10.760 1.00 2.72 H new ATOM 915 N VAL A 375 97.471 0.946 -10.819 1.00 2.14 N ATOM 916 CA VAL A 375 98.289 2.161 -11.113 1.00 2.61 C ATOM 917 C VAL A 375 99.765 1.771 -11.252 1.00 2.22 C ATOM 918 O VAL A 375 100.376 1.328 -10.300 1.00 1.65 O ATOM 919 CB VAL A 375 98.093 3.080 -9.907 1.00 3.32 C ATOM 920 CG1 VAL A 375 98.728 4.441 -10.195 1.00 4.00 C ATOM 921 CG2 VAL A 375 96.598 3.260 -9.639 1.00 3.65 C ATOM 0 H VAL A 375 97.568 0.572 -9.875 1.00 2.14 H new ATOM 0 HA VAL A 375 97.991 2.646 -12.043 1.00 2.61 H new ATOM 0 HB VAL A 375 98.567 2.636 -9.031 1.00 3.32 H new ATOM 0 HG11 VAL A 375 98.589 5.097 -9.336 1.00 4.00 H new ATOM 0 HG12 VAL A 375 99.794 4.313 -10.384 1.00 4.00 H new ATOM 0 HG13 VAL A 375 98.255 4.885 -11.071 1.00 4.00 H new ATOM 0 HG21 VAL A 375 96.459 3.915 -8.779 1.00 3.65 H new ATOM 0 HG22 VAL A 375 96.122 3.703 -10.514 1.00 3.65 H new ATOM 0 HG23 VAL A 375 96.146 2.290 -9.433 1.00 3.65 H new ATOM 931 N PRO A 376 100.257 1.866 -12.459 1.00 2.87 N ATOM 932 CA PRO A 376 101.641 1.420 -12.762 1.00 2.67 C ATOM 933 C PRO A 376 102.657 2.097 -11.834 1.00 2.48 C ATOM 934 O PRO A 376 102.465 3.208 -11.382 1.00 3.24 O ATOM 935 CB PRO A 376 101.868 1.846 -14.215 1.00 3.84 C ATOM 936 CG PRO A 376 100.713 2.731 -14.575 1.00 4.63 C ATOM 937 CD PRO A 376 99.583 2.396 -13.641 1.00 4.03 C ATOM 0 HA PRO A 376 101.768 0.347 -12.615 1.00 2.67 H new ATOM 0 HB2 PRO A 376 102.814 2.377 -14.322 1.00 3.84 H new ATOM 0 HB3 PRO A 376 101.914 0.978 -14.873 1.00 3.84 H new ATOM 0 HG2 PRO A 376 100.990 3.781 -14.481 1.00 4.63 H new ATOM 0 HG3 PRO A 376 100.415 2.571 -15.611 1.00 4.63 H new ATOM 0 HD2 PRO A 376 98.987 3.277 -13.401 1.00 4.03 H new ATOM 0 HD3 PRO A 376 98.906 1.662 -14.079 1.00 4.03 H new ATOM 945 N PHE A 377 103.758 1.437 -11.583 1.00 2.13 N ATOM 946 CA PHE A 377 104.825 2.031 -10.726 1.00 3.07 C ATOM 947 C PHE A 377 105.899 2.676 -11.605 1.00 3.61 C ATOM 948 O PHE A 377 106.545 2.019 -12.395 1.00 4.10 O ATOM 949 CB PHE A 377 105.400 0.834 -9.958 1.00 3.15 C ATOM 950 CG PHE A 377 106.537 1.271 -9.054 1.00 3.91 C ATOM 951 CD1 PHE A 377 106.796 2.633 -8.838 1.00 4.01 C ATOM 952 CD2 PHE A 377 107.344 0.303 -8.438 1.00 4.73 C ATOM 953 CE1 PHE A 377 107.857 3.024 -8.009 1.00 4.92 C ATOM 954 CE2 PHE A 377 108.406 0.694 -7.612 1.00 5.70 C ATOM 955 CZ PHE A 377 108.662 2.055 -7.398 1.00 5.79 C ATOM 0 H PHE A 377 103.964 0.504 -11.939 1.00 2.13 H new ATOM 0 HA PHE A 377 104.453 2.809 -10.060 1.00 3.07 H new ATOM 0 HB2 PHE A 377 104.615 0.367 -9.363 1.00 3.15 H new ATOM 0 HB3 PHE A 377 105.757 0.082 -10.662 1.00 3.15 H new ATOM 0 HD1 PHE A 377 106.177 3.381 -9.311 1.00 4.01 H new ATOM 0 HD2 PHE A 377 107.146 -0.746 -8.601 1.00 4.73 H new ATOM 0 HE1 PHE A 377 108.053 4.073 -7.842 1.00 4.92 H new ATOM 0 HE2 PHE A 377 109.027 -0.053 -7.140 1.00 5.70 H new ATOM 0 HZ PHE A 377 109.481 2.357 -6.761 1.00 5.79 H new ATOM 965 N THR A 378 106.143 3.945 -11.422 1.00 3.85 N ATOM 966 CA THR A 378 107.231 4.611 -12.192 1.00 4.47 C ATOM 967 C THR A 378 108.380 4.978 -11.253 1.00 4.28 C ATOM 968 O THR A 378 108.167 5.378 -10.125 1.00 3.71 O ATOM 969 CB THR A 378 106.592 5.872 -12.777 1.00 4.59 C ATOM 970 OG1 THR A 378 106.354 6.807 -11.735 1.00 4.26 O ATOM 971 CG2 THR A 378 105.269 5.508 -13.453 1.00 5.29 C ATOM 0 H THR A 378 105.637 4.548 -10.774 1.00 3.85 H new ATOM 0 HA THR A 378 107.643 3.969 -12.971 1.00 4.47 H new ATOM 0 HB THR A 378 107.264 6.313 -13.513 1.00 4.59 H new ATOM 0 HG1 THR A 378 105.946 7.616 -12.108 1.00 4.26 H new ATOM 0 HG21 THR A 378 104.814 6.407 -13.870 1.00 5.29 H new ATOM 0 HG22 THR A 378 105.454 4.791 -14.253 1.00 5.29 H new ATOM 0 HG23 THR A 378 104.595 5.067 -12.719 1.00 5.29 H new ATOM 979 N ALA A 379 109.596 4.811 -11.699 1.00 5.01 N ATOM 980 CA ALA A 379 110.764 5.112 -10.824 1.00 5.10 C ATOM 981 C ALA A 379 110.976 6.624 -10.715 1.00 5.05 C ATOM 982 O ALA A 379 111.491 7.117 -9.732 1.00 5.37 O ATOM 983 CB ALA A 379 111.957 4.453 -11.517 1.00 6.13 C ATOM 0 H ALA A 379 109.831 4.478 -12.634 1.00 5.01 H new ATOM 0 HA ALA A 379 110.623 4.740 -9.809 1.00 5.10 H new ATOM 0 HB1 ALA A 379 112.860 4.629 -10.933 1.00 6.13 H new ATOM 0 HB2 ALA A 379 111.782 3.380 -11.600 1.00 6.13 H new ATOM 0 HB3 ALA A 379 112.080 4.879 -12.513 1.00 6.13 H new ATOM 989 N GLN A 380 110.637 7.360 -11.741 1.00 4.87 N ATOM 990 CA GLN A 380 110.886 8.831 -11.708 1.00 4.93 C ATOM 991 C GLN A 380 110.169 9.455 -10.511 1.00 4.05 C ATOM 992 O GLN A 380 110.756 10.181 -9.734 1.00 3.84 O ATOM 993 CB GLN A 380 110.304 9.361 -13.019 1.00 5.65 C ATOM 994 CG GLN A 380 111.074 8.764 -14.199 1.00 6.07 C ATOM 995 CD GLN A 380 110.565 9.378 -15.504 1.00 7.03 C ATOM 996 OE1 GLN A 380 110.930 10.484 -15.852 1.00 7.74 O ATOM 997 NE2 GLN A 380 109.731 8.703 -16.247 1.00 7.22 N ATOM 0 H GLN A 380 110.202 7.009 -12.594 1.00 4.87 H new ATOM 0 HA GLN A 380 111.944 9.071 -11.608 1.00 4.93 H new ATOM 0 HB2 GLN A 380 109.248 9.101 -13.092 1.00 5.65 H new ATOM 0 HB3 GLN A 380 110.367 10.449 -13.043 1.00 5.65 H new ATOM 0 HG2 GLN A 380 112.141 8.957 -14.086 1.00 6.07 H new ATOM 0 HG3 GLN A 380 110.946 7.682 -14.220 1.00 6.07 H new ATOM 0 HE21 GLN A 380 109.424 7.775 -15.955 1.00 7.22 H new ATOM 0 HE22 GLN A 380 109.386 9.104 -17.119 1.00 7.22 H new ATOM 1006 N SER A 381 108.941 9.078 -10.287 1.00 3.64 N ATOM 1007 CA SER A 381 108.233 9.539 -9.060 1.00 3.06 C ATOM 1008 C SER A 381 108.464 8.539 -7.926 1.00 2.42 C ATOM 1009 O SER A 381 108.256 8.842 -6.769 1.00 3.00 O ATOM 1010 CB SER A 381 106.756 9.581 -9.446 1.00 3.49 C ATOM 1011 OG SER A 381 106.577 10.498 -10.517 1.00 3.82 O ATOM 0 H SER A 381 108.397 8.471 -10.900 1.00 3.64 H new ATOM 0 HA SER A 381 108.587 10.510 -8.713 1.00 3.06 H new ATOM 0 HB2 SER A 381 106.417 8.588 -9.742 1.00 3.49 H new ATOM 0 HB3 SER A 381 106.153 9.882 -8.590 1.00 3.49 H new ATOM 0 HG SER A 381 105.630 10.526 -10.769 1.00 3.82 H new ATOM 1017 N ARG A 382 108.831 7.331 -8.261 1.00 1.65 N ATOM 1018 CA ARG A 382 109.002 6.279 -7.218 1.00 1.74 C ATOM 1019 C ARG A 382 107.654 5.985 -6.561 1.00 1.57 C ATOM 1020 O ARG A 382 107.504 6.092 -5.360 1.00 2.08 O ATOM 1021 CB ARG A 382 109.972 6.876 -6.195 1.00 2.53 C ATOM 1022 CG ARG A 382 111.132 7.554 -6.923 1.00 2.69 C ATOM 1023 CD ARG A 382 112.204 7.963 -5.910 1.00 2.89 C ATOM 1024 NE ARG A 382 113.180 8.774 -6.691 1.00 3.36 N ATOM 1025 CZ ARG A 382 114.395 8.952 -6.243 1.00 3.67 C ATOM 1026 NH1 ARG A 382 114.763 8.421 -5.107 1.00 3.72 N ATOM 1027 NH2 ARG A 382 115.244 9.663 -6.933 1.00 4.25 N ATOM 0 H ARG A 382 109.020 7.027 -9.216 1.00 1.65 H new ATOM 0 HA ARG A 382 109.378 5.343 -7.631 1.00 1.74 H new ATOM 0 HB2 ARG A 382 109.453 7.598 -5.565 1.00 2.53 H new ATOM 0 HB3 ARG A 382 110.350 6.093 -5.537 1.00 2.53 H new ATOM 0 HG2 ARG A 382 111.556 6.876 -7.663 1.00 2.69 H new ATOM 0 HG3 ARG A 382 110.774 8.431 -7.463 1.00 2.69 H new ATOM 0 HD2 ARG A 382 111.774 8.542 -5.092 1.00 2.89 H new ATOM 0 HD3 ARG A 382 112.682 7.090 -5.466 1.00 2.89 H new ATOM 0 HE ARG A 382 112.899 9.192 -7.578 1.00 3.36 H new ATOM 0 HH11 ARG A 382 114.101 7.865 -4.566 1.00 3.72 H new ATOM 0 HH12 ARG A 382 115.712 8.563 -4.762 1.00 3.72 H new ATOM 0 HH21 ARG A 382 114.959 10.079 -7.820 1.00 4.25 H new ATOM 0 HH22 ARG A 382 116.193 9.803 -6.586 1.00 4.25 H new ATOM 1041 N MET A 383 106.649 5.685 -7.342 1.00 1.27 N ATOM 1042 CA MET A 383 105.301 5.473 -6.746 1.00 1.19 C ATOM 1043 C MET A 383 104.490 4.463 -7.558 1.00 1.07 C ATOM 1044 O MET A 383 104.476 4.485 -8.772 1.00 1.14 O ATOM 1045 CB MET A 383 104.632 6.847 -6.781 1.00 1.32 C ATOM 1046 CG MET A 383 105.426 7.823 -5.913 1.00 1.51 C ATOM 1047 SD MET A 383 104.540 9.398 -5.808 1.00 2.09 S ATOM 1048 CE MET A 383 103.246 8.855 -4.665 1.00 1.57 C ATOM 0 H MET A 383 106.703 5.579 -8.355 1.00 1.27 H new ATOM 0 HA MET A 383 105.368 5.070 -5.735 1.00 1.19 H new ATOM 0 HB2 MET A 383 104.583 7.213 -7.806 1.00 1.32 H new ATOM 0 HB3 MET A 383 103.606 6.773 -6.419 1.00 1.32 H new ATOM 0 HG2 MET A 383 105.568 7.406 -4.916 1.00 1.51 H new ATOM 0 HG3 MET A 383 106.418 7.979 -6.337 1.00 1.51 H new ATOM 0 HE1 MET A 383 102.279 8.892 -5.166 1.00 1.57 H new ATOM 0 HE2 MET A 383 103.450 7.833 -4.344 1.00 1.57 H new ATOM 0 HE3 MET A 383 103.229 9.512 -3.796 1.00 1.57 H new ATOM 1058 N SER A 384 103.706 3.682 -6.874 1.00 0.97 N ATOM 1059 CA SER A 384 102.748 2.767 -7.549 1.00 1.02 C ATOM 1060 C SER A 384 101.497 2.664 -6.679 1.00 0.93 C ATOM 1061 O SER A 384 101.496 3.099 -5.549 1.00 0.83 O ATOM 1062 CB SER A 384 103.465 1.423 -7.621 1.00 1.23 C ATOM 1063 OG SER A 384 103.448 0.814 -6.336 1.00 1.18 O ATOM 0 H SER A 384 103.688 3.638 -5.855 1.00 0.97 H new ATOM 0 HA SER A 384 102.448 3.106 -8.541 1.00 1.02 H new ATOM 0 HB2 SER A 384 102.977 0.776 -8.350 1.00 1.23 H new ATOM 0 HB3 SER A 384 104.493 1.563 -7.957 1.00 1.23 H new ATOM 0 HG SER A 384 104.337 0.457 -6.131 1.00 1.18 H new ATOM 1069 N GLY A 385 100.423 2.142 -7.188 1.00 1.02 N ATOM 1070 CA GLY A 385 99.190 2.085 -6.355 1.00 1.00 C ATOM 1071 C GLY A 385 98.065 1.415 -7.126 1.00 0.95 C ATOM 1072 O GLY A 385 98.279 0.682 -8.069 1.00 1.13 O ATOM 0 H GLY A 385 100.341 1.757 -8.129 1.00 1.02 H new ATOM 0 HA2 GLY A 385 99.389 1.534 -5.436 1.00 1.00 H new ATOM 0 HA3 GLY A 385 98.892 3.092 -6.065 1.00 1.00 H new ATOM 1076 N ILE A 386 96.865 1.632 -6.691 1.00 0.80 N ATOM 1077 CA ILE A 386 95.701 0.985 -7.335 1.00 0.78 C ATOM 1078 C ILE A 386 94.490 1.902 -7.221 1.00 0.77 C ATOM 1079 O ILE A 386 94.343 2.635 -6.268 1.00 0.80 O ATOM 1080 CB ILE A 386 95.497 -0.288 -6.526 1.00 0.81 C ATOM 1081 CG1 ILE A 386 94.342 -1.108 -7.080 1.00 0.86 C ATOM 1082 CG2 ILE A 386 95.179 0.073 -5.083 1.00 0.84 C ATOM 1083 CD1 ILE A 386 94.248 -2.388 -6.257 1.00 1.26 C ATOM 0 H ILE A 386 96.637 2.240 -5.904 1.00 0.80 H new ATOM 0 HA ILE A 386 95.846 0.778 -8.395 1.00 0.78 H new ATOM 0 HB ILE A 386 96.413 -0.875 -6.584 1.00 0.81 H new ATOM 0 HG12 ILE A 386 93.410 -0.546 -7.021 1.00 0.86 H new ATOM 0 HG13 ILE A 386 94.508 -1.341 -8.132 1.00 0.86 H new ATOM 0 HG21 ILE A 386 95.033 -0.839 -4.504 1.00 0.84 H new ATOM 0 HG22 ILE A 386 96.006 0.643 -4.660 1.00 0.84 H new ATOM 0 HG23 ILE A 386 94.270 0.673 -5.050 1.00 0.84 H new ATOM 0 HD11 ILE A 386 93.427 -3.001 -6.629 1.00 1.26 H new ATOM 0 HD12 ILE A 386 95.182 -2.944 -6.340 1.00 1.26 H new ATOM 0 HD13 ILE A 386 94.068 -2.136 -5.212 1.00 1.26 H new ATOM 1095 N ASN A 387 93.565 1.777 -8.110 1.00 0.78 N ATOM 1096 CA ASN A 387 92.296 2.536 -7.960 1.00 0.83 C ATOM 1097 C ASN A 387 91.137 1.551 -8.044 1.00 0.92 C ATOM 1098 O ASN A 387 91.144 0.661 -8.859 1.00 0.86 O ATOM 1099 CB ASN A 387 92.254 3.505 -9.146 1.00 0.91 C ATOM 1100 CG ASN A 387 93.633 4.130 -9.354 1.00 1.31 C ATOM 1101 OD1 ASN A 387 94.377 4.392 -8.318 1.00 2.04 O flip ATOM 1102 ND2 ASN A 387 94.037 4.381 -10.472 1.00 1.81 N flip ATOM 0 H ASN A 387 93.625 1.184 -8.938 1.00 0.78 H new ATOM 0 HA ASN A 387 92.229 3.071 -7.012 1.00 0.83 H new ATOM 0 HB2 ASN A 387 91.944 2.977 -10.048 1.00 0.91 H new ATOM 0 HB3 ASN A 387 91.515 4.285 -8.964 1.00 0.91 H new ATOM 0 HD21 ASN A 387 93.454 4.175 -11.283 1.00 1.81 H new ATOM 0 HD22 ASN A 387 94.959 4.797 -10.599 1.00 1.81 H new ATOM 1109 N ILE A 388 90.126 1.706 -7.248 1.00 1.18 N ATOM 1110 CA ILE A 388 88.978 0.767 -7.364 1.00 1.31 C ATOM 1111 C ILE A 388 87.667 1.483 -7.066 1.00 1.70 C ATOM 1112 O ILE A 388 87.652 2.635 -6.680 1.00 1.89 O ATOM 1113 CB ILE A 388 89.250 -0.326 -6.338 1.00 1.24 C ATOM 1114 CG1 ILE A 388 88.106 -1.340 -6.357 1.00 1.66 C ATOM 1115 CG2 ILE A 388 89.352 0.303 -4.954 1.00 1.50 C ATOM 1116 CD1 ILE A 388 88.531 -2.592 -5.590 1.00 2.11 C ATOM 0 H ILE A 388 90.040 2.428 -6.532 1.00 1.18 H new ATOM 0 HA ILE A 388 88.883 0.359 -8.370 1.00 1.31 H new ATOM 0 HB ILE A 388 90.184 -0.833 -6.580 1.00 1.24 H new ATOM 0 HG12 ILE A 388 87.213 -0.908 -5.905 1.00 1.66 H new ATOM 0 HG13 ILE A 388 87.850 -1.598 -7.385 1.00 1.66 H new ATOM 0 HG21 ILE A 388 89.547 -0.474 -4.215 1.00 1.50 H new ATOM 0 HG22 ILE A 388 90.167 1.027 -4.943 1.00 1.50 H new ATOM 0 HG23 ILE A 388 88.416 0.807 -4.713 1.00 1.50 H new ATOM 0 HD11 ILE A 388 87.718 -3.318 -5.601 1.00 2.11 H new ATOM 0 HD12 ILE A 388 89.412 -3.026 -6.062 1.00 2.11 H new ATOM 0 HD13 ILE A 388 88.766 -2.325 -4.560 1.00 2.11 H new ATOM 1128 N ASP A 389 86.568 0.861 -7.393 1.00 1.97 N ATOM 1129 CA ASP A 389 85.251 1.555 -7.320 1.00 2.37 C ATOM 1130 C ASP A 389 84.848 1.959 -5.887 1.00 2.14 C ATOM 1131 O ASP A 389 83.778 2.497 -5.682 1.00 2.92 O ATOM 1132 CB ASP A 389 84.270 0.518 -7.856 1.00 2.65 C ATOM 1133 CG ASP A 389 84.472 0.352 -9.363 1.00 3.31 C ATOM 1134 OD1 ASP A 389 85.202 1.146 -9.934 1.00 3.85 O ATOM 1135 OD2 ASP A 389 83.893 -0.565 -9.922 1.00 3.63 O ATOM 0 H ASP A 389 86.526 -0.107 -7.711 1.00 1.97 H new ATOM 0 HA ASP A 389 85.273 2.490 -7.879 1.00 2.37 H new ATOM 0 HB2 ASP A 389 84.422 -0.436 -7.351 1.00 2.65 H new ATOM 0 HB3 ASP A 389 83.246 0.829 -7.648 1.00 2.65 H new ATOM 1140 N ASN A 390 85.709 1.820 -4.913 1.00 1.20 N ATOM 1141 CA ASN A 390 85.361 2.330 -3.553 1.00 1.12 C ATOM 1142 C ASN A 390 86.609 2.820 -2.800 1.00 0.97 C ATOM 1143 O ASN A 390 86.550 3.091 -1.617 1.00 1.15 O ATOM 1144 CB ASN A 390 84.743 1.132 -2.834 1.00 1.13 C ATOM 1145 CG ASN A 390 83.991 1.614 -1.592 1.00 1.53 C ATOM 1146 OD1 ASN A 390 84.386 1.224 -0.412 1.00 2.33 O flip ATOM 1147 ND2 ASN A 390 83.033 2.354 -1.697 1.00 1.89 N flip ATOM 0 H ASN A 390 86.626 1.382 -4.997 1.00 1.20 H new ATOM 0 HA ASN A 390 84.684 3.183 -3.606 1.00 1.12 H new ATOM 0 HB2 ASN A 390 84.062 0.605 -3.502 1.00 1.13 H new ATOM 0 HB3 ASN A 390 85.521 0.424 -2.549 1.00 1.13 H new ATOM 0 HD21 ASN A 390 82.723 2.660 -2.620 1.00 1.89 H new ATOM 0 HD22 ASN A 390 82.539 2.670 -0.863 1.00 1.89 H new ATOM 1154 N ARG A 391 87.759 2.828 -3.429 1.00 0.83 N ATOM 1155 CA ARG A 391 89.004 3.168 -2.681 1.00 0.73 C ATOM 1156 C ARG A 391 90.096 3.652 -3.635 1.00 0.74 C ATOM 1157 O ARG A 391 90.213 3.170 -4.742 1.00 1.10 O ATOM 1158 CB ARG A 391 89.441 1.861 -2.011 1.00 0.94 C ATOM 1159 CG ARG A 391 88.415 1.448 -0.953 1.00 1.05 C ATOM 1160 CD ARG A 391 88.963 0.268 -0.147 1.00 1.30 C ATOM 1161 NE ARG A 391 87.825 -0.177 0.705 1.00 1.92 N ATOM 1162 CZ ARG A 391 86.861 -0.896 0.194 1.00 2.13 C ATOM 1163 NH1 ARG A 391 86.887 -1.230 -1.069 1.00 2.15 N ATOM 1164 NH2 ARG A 391 85.869 -1.282 0.947 1.00 2.69 N ATOM 0 H ARG A 391 87.887 2.616 -4.418 1.00 0.83 H new ATOM 0 HA ARG A 391 88.831 3.968 -1.961 1.00 0.73 H new ATOM 0 HB2 ARG A 391 89.541 1.075 -2.759 1.00 0.94 H new ATOM 0 HB3 ARG A 391 90.420 1.989 -1.550 1.00 0.94 H new ATOM 0 HG2 ARG A 391 88.201 2.287 -0.291 1.00 1.05 H new ATOM 0 HG3 ARG A 391 87.475 1.171 -1.431 1.00 1.05 H new ATOM 0 HD2 ARG A 391 89.303 -0.534 -0.802 1.00 1.30 H new ATOM 0 HD3 ARG A 391 89.817 0.567 0.460 1.00 1.30 H new ATOM 0 HE ARG A 391 87.798 0.081 1.692 1.00 1.92 H new ATOM 0 HH11 ARG A 391 87.662 -0.929 -1.660 1.00 2.15 H new ATOM 0 HH12 ARG A 391 86.132 -1.791 -1.464 1.00 2.15 H new ATOM 0 HH21 ARG A 391 85.846 -1.023 1.933 1.00 2.69 H new ATOM 0 HH22 ARG A 391 85.116 -1.843 0.550 1.00 2.69 H new ATOM 1178 N MET A 392 91.035 4.397 -3.129 1.00 0.48 N ATOM 1179 CA MET A 392 92.273 4.660 -3.917 1.00 0.51 C ATOM 1180 C MET A 392 93.497 4.368 -3.043 1.00 0.48 C ATOM 1181 O MET A 392 93.542 4.754 -1.891 1.00 0.52 O ATOM 1182 CB MET A 392 92.209 6.142 -4.286 1.00 0.59 C ATOM 1183 CG MET A 392 90.979 6.400 -5.158 1.00 1.14 C ATOM 1184 SD MET A 392 91.011 8.108 -5.757 1.00 1.31 S ATOM 1185 CE MET A 392 92.358 7.906 -6.948 1.00 2.02 C ATOM 0 H MET A 392 91.002 4.835 -2.208 1.00 0.48 H new ATOM 0 HA MET A 392 92.349 4.035 -4.807 1.00 0.51 H new ATOM 0 HB2 MET A 392 92.161 6.750 -3.383 1.00 0.59 H new ATOM 0 HB3 MET A 392 93.114 6.434 -4.820 1.00 0.59 H new ATOM 0 HG2 MET A 392 90.966 5.708 -6.000 1.00 1.14 H new ATOM 0 HG3 MET A 392 90.069 6.222 -4.584 1.00 1.14 H new ATOM 0 HE1 MET A 392 92.050 8.301 -7.916 1.00 2.02 H new ATOM 0 HE2 MET A 392 93.237 8.448 -6.599 1.00 2.02 H new ATOM 0 HE3 MET A 392 92.600 6.848 -7.048 1.00 2.02 H new ATOM 1195 N ILE A 393 94.513 3.750 -3.583 1.00 0.45 N ATOM 1196 CA ILE A 393 95.741 3.517 -2.766 1.00 0.45 C ATOM 1197 C ILE A 393 96.976 4.019 -3.517 1.00 0.50 C ATOM 1198 O ILE A 393 97.159 3.727 -4.680 1.00 0.60 O ATOM 1199 CB ILE A 393 95.817 2.002 -2.555 1.00 0.43 C ATOM 1200 CG1 ILE A 393 94.471 1.483 -2.043 1.00 1.21 C ATOM 1201 CG2 ILE A 393 96.906 1.696 -1.524 1.00 0.98 C ATOM 1202 CD1 ILE A 393 94.145 2.137 -0.698 1.00 1.68 C ATOM 0 H ILE A 393 94.548 3.400 -4.541 1.00 0.45 H new ATOM 0 HA ILE A 393 95.705 4.050 -1.816 1.00 0.45 H new ATOM 0 HB ILE A 393 96.053 1.513 -3.500 1.00 0.43 H new ATOM 0 HG12 ILE A 393 93.686 1.704 -2.766 1.00 1.21 H new ATOM 0 HG13 ILE A 393 94.506 0.399 -1.933 1.00 1.21 H new ATOM 0 HG21 ILE A 393 96.967 0.619 -1.368 1.00 0.98 H new ATOM 0 HG22 ILE A 393 97.865 2.065 -1.888 1.00 0.98 H new ATOM 0 HG23 ILE A 393 96.663 2.186 -0.581 1.00 0.98 H new ATOM 0 HD11 ILE A 393 93.186 1.766 -0.336 1.00 1.68 H new ATOM 0 HD12 ILE A 393 94.925 1.893 0.024 1.00 1.68 H new ATOM 0 HD13 ILE A 393 94.092 3.219 -0.823 1.00 1.68 H new ATOM 1214 N ARG A 394 97.884 4.652 -2.828 1.00 0.63 N ATOM 1215 CA ARG A 394 99.174 5.030 -3.473 1.00 0.72 C ATOM 1216 C ARG A 394 100.339 4.773 -2.513 1.00 0.60 C ATOM 1217 O ARG A 394 100.231 4.969 -1.322 1.00 0.54 O ATOM 1218 CB ARG A 394 99.046 6.520 -3.788 1.00 0.78 C ATOM 1219 CG ARG A 394 97.918 6.735 -4.799 1.00 1.27 C ATOM 1220 CD ARG A 394 98.287 6.065 -6.125 1.00 1.04 C ATOM 1221 NE ARG A 394 97.201 6.454 -7.068 1.00 1.47 N ATOM 1222 CZ ARG A 394 97.195 7.643 -7.609 1.00 1.92 C ATOM 1223 NH1 ARG A 394 98.139 8.501 -7.328 1.00 2.78 N ATOM 1224 NH2 ARG A 394 96.241 7.975 -8.435 1.00 2.09 N ATOM 0 H ARG A 394 97.790 4.924 -1.849 1.00 0.63 H new ATOM 0 HA ARG A 394 99.372 4.447 -4.372 1.00 0.72 H new ATOM 0 HB2 ARG A 394 98.841 7.079 -2.875 1.00 0.78 H new ATOM 0 HB3 ARG A 394 99.986 6.899 -4.190 1.00 0.78 H new ATOM 0 HG2 ARG A 394 96.987 6.318 -4.415 1.00 1.27 H new ATOM 0 HG3 ARG A 394 97.751 7.801 -4.952 1.00 1.27 H new ATOM 0 HD2 ARG A 394 99.260 6.404 -6.481 1.00 1.04 H new ATOM 0 HD3 ARG A 394 98.347 4.982 -6.017 1.00 1.04 H new ATOM 0 HE ARG A 394 96.460 5.790 -7.292 1.00 1.47 H new ATOM 0 HH11 ARG A 394 98.886 8.244 -6.683 1.00 2.78 H new ATOM 0 HH12 ARG A 394 98.129 9.428 -7.754 1.00 2.78 H new ATOM 0 HH21 ARG A 394 95.503 7.307 -8.657 1.00 2.09 H new ATOM 0 HH22 ARG A 394 96.233 8.903 -8.859 1.00 2.09 H new ATOM 1238 N LYS A 395 101.450 4.331 -3.030 1.00 0.63 N ATOM 1239 CA LYS A 395 102.634 4.050 -2.167 1.00 0.58 C ATOM 1240 C LYS A 395 103.911 4.417 -2.926 1.00 0.60 C ATOM 1241 O LYS A 395 103.994 4.245 -4.120 1.00 0.68 O ATOM 1242 CB LYS A 395 102.581 2.545 -1.915 1.00 0.72 C ATOM 1243 CG LYS A 395 103.502 2.177 -0.753 1.00 0.80 C ATOM 1244 CD LYS A 395 104.875 1.792 -1.299 1.00 1.11 C ATOM 1245 CE LYS A 395 104.720 0.636 -2.289 1.00 1.15 C ATOM 1246 NZ LYS A 395 106.059 -0.009 -2.326 1.00 1.57 N ATOM 0 H LYS A 395 101.591 4.150 -4.024 1.00 0.63 H new ATOM 0 HA LYS A 395 102.628 4.620 -1.238 1.00 0.58 H new ATOM 0 HB2 LYS A 395 101.559 2.241 -1.690 1.00 0.72 H new ATOM 0 HB3 LYS A 395 102.883 2.007 -2.813 1.00 0.72 H new ATOM 0 HG2 LYS A 395 103.594 3.019 -0.066 1.00 0.80 H new ATOM 0 HG3 LYS A 395 103.078 1.348 -0.186 1.00 0.80 H new ATOM 0 HD2 LYS A 395 105.336 2.648 -1.791 1.00 1.11 H new ATOM 0 HD3 LYS A 395 105.535 1.500 -0.482 1.00 1.11 H new ATOM 0 HE2 LYS A 395 103.951 -0.065 -1.963 1.00 1.15 H new ATOM 0 HE3 LYS A 395 104.426 0.995 -3.275 1.00 1.15 H new ATOM 0 HZ1 LYS A 395 106.017 -0.863 -2.917 1.00 1.57 H new ATOM 0 HZ2 LYS A 395 106.753 0.655 -2.725 1.00 1.57 H new ATOM 0 HZ3 LYS A 395 106.345 -0.270 -1.361 1.00 1.57 H new ATOM 1260 N GLY A 396 104.902 4.927 -2.254 1.00 0.56 N ATOM 1261 CA GLY A 396 106.155 5.299 -2.977 1.00 0.60 C ATOM 1262 C GLY A 396 107.154 5.953 -2.025 1.00 0.55 C ATOM 1263 O GLY A 396 107.187 5.662 -0.846 1.00 0.82 O ATOM 0 H GLY A 396 104.904 5.102 -1.249 1.00 0.56 H new ATOM 0 HA2 GLY A 396 106.600 4.410 -3.425 1.00 0.60 H new ATOM 0 HA3 GLY A 396 105.921 5.983 -3.792 1.00 0.60 H new ATOM 1267 N SER A 397 108.018 6.785 -2.544 1.00 0.50 N ATOM 1268 CA SER A 397 109.072 7.395 -1.687 1.00 0.60 C ATOM 1269 C SER A 397 108.463 8.429 -0.737 1.00 0.48 C ATOM 1270 O SER A 397 107.379 8.929 -0.958 1.00 0.61 O ATOM 1271 CB SER A 397 110.060 8.052 -2.654 1.00 0.91 C ATOM 1272 OG SER A 397 110.488 7.091 -3.610 1.00 1.17 O ATOM 0 H SER A 397 108.038 7.067 -3.524 1.00 0.50 H new ATOM 0 HA SER A 397 109.564 6.652 -1.060 1.00 0.60 H new ATOM 0 HB2 SER A 397 109.589 8.897 -3.156 1.00 0.91 H new ATOM 0 HB3 SER A 397 110.917 8.444 -2.106 1.00 0.91 H new ATOM 0 HG SER A 397 111.428 6.865 -3.448 1.00 1.17 H new ATOM 1278 N VAL A 398 109.131 8.709 0.348 1.00 0.53 N ATOM 1279 CA VAL A 398 108.565 9.662 1.343 1.00 0.47 C ATOM 1280 C VAL A 398 108.336 11.022 0.691 1.00 0.51 C ATOM 1281 O VAL A 398 107.242 11.543 0.700 1.00 0.51 O ATOM 1282 CB VAL A 398 109.621 9.763 2.437 1.00 0.46 C ATOM 1283 CG1 VAL A 398 109.189 10.810 3.466 1.00 0.50 C ATOM 1284 CG2 VAL A 398 109.768 8.405 3.121 1.00 0.51 C ATOM 0 H VAL A 398 110.043 8.320 0.588 1.00 0.53 H new ATOM 0 HA VAL A 398 107.604 9.331 1.736 1.00 0.47 H new ATOM 0 HB VAL A 398 110.575 10.057 2.000 1.00 0.46 H new ATOM 0 HG11 VAL A 398 109.943 10.883 4.249 1.00 0.50 H new ATOM 0 HG12 VAL A 398 109.079 11.778 2.976 1.00 0.50 H new ATOM 0 HG13 VAL A 398 108.236 10.516 3.906 1.00 0.50 H new ATOM 0 HG21 VAL A 398 110.523 8.472 3.905 1.00 0.51 H new ATOM 0 HG22 VAL A 398 108.814 8.114 3.560 1.00 0.51 H new ATOM 0 HG23 VAL A 398 110.073 7.659 2.387 1.00 0.51 H new ATOM 1294 N ASP A 399 109.312 11.527 -0.008 1.00 0.55 N ATOM 1295 CA ASP A 399 109.078 12.762 -0.800 1.00 0.62 C ATOM 1296 C ASP A 399 107.977 12.493 -1.825 1.00 0.64 C ATOM 1297 O ASP A 399 107.152 13.336 -2.112 1.00 0.64 O ATOM 1298 CB ASP A 399 110.409 13.046 -1.500 1.00 0.71 C ATOM 1299 CG ASP A 399 111.465 13.418 -0.458 1.00 1.10 C ATOM 1300 OD1 ASP A 399 111.088 13.665 0.676 1.00 1.46 O ATOM 1301 OD2 ASP A 399 112.632 13.450 -0.811 1.00 1.59 O ATOM 0 H ASP A 399 110.254 11.141 -0.065 1.00 0.55 H new ATOM 0 HA ASP A 399 108.763 13.607 -0.188 1.00 0.62 H new ATOM 0 HB2 ASP A 399 110.731 12.169 -2.062 1.00 0.71 H new ATOM 0 HB3 ASP A 399 110.289 13.858 -2.217 1.00 0.71 H new ATOM 1306 N ALA A 400 107.966 11.311 -2.373 1.00 0.70 N ATOM 1307 CA ALA A 400 106.931 10.962 -3.384 1.00 0.76 C ATOM 1308 C ALA A 400 105.533 10.970 -2.756 1.00 0.72 C ATOM 1309 O ALA A 400 104.611 11.544 -3.292 1.00 0.75 O ATOM 1310 CB ALA A 400 107.309 9.553 -3.847 1.00 0.85 C ATOM 0 H ALA A 400 108.633 10.568 -2.163 1.00 0.70 H new ATOM 0 HA ALA A 400 106.899 11.675 -4.208 1.00 0.76 H new ATOM 0 HB1 ALA A 400 106.596 9.213 -4.598 1.00 0.85 H new ATOM 0 HB2 ALA A 400 108.310 9.568 -4.278 1.00 0.85 H new ATOM 0 HB3 ALA A 400 107.291 8.873 -2.995 1.00 0.85 H new ATOM 1316 N ILE A 401 105.348 10.329 -1.639 1.00 0.67 N ATOM 1317 CA ILE A 401 103.987 10.314 -1.030 1.00 0.66 C ATOM 1318 C ILE A 401 103.609 11.706 -0.519 1.00 0.59 C ATOM 1319 O ILE A 401 102.465 12.104 -0.567 1.00 0.64 O ATOM 1320 CB ILE A 401 104.072 9.314 0.122 1.00 0.64 C ATOM 1321 CG1 ILE A 401 104.483 7.941 -0.423 1.00 0.81 C ATOM 1322 CG2 ILE A 401 102.709 9.202 0.803 1.00 0.68 C ATOM 1323 CD1 ILE A 401 103.644 7.603 -1.657 1.00 0.62 C ATOM 0 H ILE A 401 106.068 9.820 -1.125 1.00 0.67 H new ATOM 0 HA ILE A 401 103.221 10.032 -1.752 1.00 0.66 H new ATOM 0 HB ILE A 401 104.812 9.656 0.845 1.00 0.64 H new ATOM 0 HG12 ILE A 401 105.542 7.944 -0.681 1.00 0.81 H new ATOM 0 HG13 ILE A 401 104.344 7.178 0.343 1.00 0.81 H new ATOM 0 HG21 ILE A 401 102.770 8.488 1.625 1.00 0.68 H new ATOM 0 HG22 ILE A 401 102.415 10.177 1.191 1.00 0.68 H new ATOM 0 HG23 ILE A 401 101.968 8.860 0.080 1.00 0.68 H new ATOM 0 HD11 ILE A 401 103.939 6.627 -2.041 1.00 0.62 H new ATOM 0 HD12 ILE A 401 102.589 7.582 -1.385 1.00 0.62 H new ATOM 0 HD13 ILE A 401 103.806 8.359 -2.425 1.00 0.62 H new ATOM 1335 N ARG A 402 104.562 12.457 -0.048 1.00 0.50 N ATOM 1336 CA ARG A 402 104.249 13.828 0.444 1.00 0.47 C ATOM 1337 C ARG A 402 103.702 14.678 -0.702 1.00 0.54 C ATOM 1338 O ARG A 402 102.742 15.404 -0.549 1.00 0.62 O ATOM 1339 CB ARG A 402 105.585 14.386 0.936 1.00 0.44 C ATOM 1340 CG ARG A 402 105.364 15.765 1.558 1.00 1.17 C ATOM 1341 CD ARG A 402 106.688 16.293 2.115 1.00 1.24 C ATOM 1342 NE ARG A 402 107.528 16.563 0.916 1.00 1.71 N ATOM 1343 CZ ARG A 402 108.639 17.241 1.031 1.00 2.17 C ATOM 1344 NH1 ARG A 402 109.020 17.690 2.197 1.00 2.62 N ATOM 1345 NH2 ARG A 402 109.372 17.472 -0.025 1.00 2.61 N ATOM 0 H ARG A 402 105.542 12.183 0.018 1.00 0.50 H new ATOM 0 HA ARG A 402 103.495 13.827 1.232 1.00 0.47 H new ATOM 0 HB2 ARG A 402 106.025 13.711 1.670 1.00 0.44 H new ATOM 0 HB3 ARG A 402 106.289 14.458 0.107 1.00 0.44 H new ATOM 0 HG2 ARG A 402 104.971 16.454 0.810 1.00 1.17 H new ATOM 0 HG3 ARG A 402 104.622 15.702 2.354 1.00 1.17 H new ATOM 0 HD2 ARG A 402 106.536 17.198 2.703 1.00 1.24 H new ATOM 0 HD3 ARG A 402 107.160 15.562 2.771 1.00 1.24 H new ATOM 0 HE ARG A 402 107.235 16.218 0.002 1.00 1.71 H new ATOM 0 HH11 ARG A 402 108.449 17.512 3.023 1.00 2.62 H new ATOM 0 HH12 ARG A 402 109.888 18.219 2.281 1.00 2.62 H new ATOM 0 HH21 ARG A 402 109.077 17.123 -0.937 1.00 2.61 H new ATOM 0 HH22 ARG A 402 110.240 18.001 0.062 1.00 2.61 H new ATOM 1359 N ARG A 403 104.307 14.592 -1.853 1.00 0.54 N ATOM 1360 CA ARG A 403 103.826 15.396 -3.008 1.00 0.62 C ATOM 1361 C ARG A 403 102.455 14.888 -3.480 1.00 0.72 C ATOM 1362 O ARG A 403 101.603 15.659 -3.873 1.00 0.82 O ATOM 1363 CB ARG A 403 104.912 15.233 -4.088 1.00 0.63 C ATOM 1364 CG ARG A 403 104.666 13.974 -4.921 1.00 0.83 C ATOM 1365 CD ARG A 403 103.851 14.334 -6.165 1.00 0.96 C ATOM 1366 NE ARG A 403 104.189 13.282 -7.165 1.00 1.38 N ATOM 1367 CZ ARG A 403 103.636 12.101 -7.091 1.00 2.01 C ATOM 1368 NH1 ARG A 403 102.788 11.829 -6.135 1.00 2.48 N ATOM 1369 NH2 ARG A 403 103.933 11.188 -7.975 1.00 2.46 N ATOM 0 H ARG A 403 105.115 13.999 -2.043 1.00 0.54 H new ATOM 0 HA ARG A 403 103.680 16.447 -2.759 1.00 0.62 H new ATOM 0 HB2 ARG A 403 104.919 16.108 -4.737 1.00 0.63 H new ATOM 0 HB3 ARG A 403 105.894 15.177 -3.617 1.00 0.63 H new ATOM 0 HG2 ARG A 403 105.616 13.527 -5.213 1.00 0.83 H new ATOM 0 HG3 ARG A 403 104.134 13.231 -4.327 1.00 0.83 H new ATOM 0 HD2 ARG A 403 102.783 14.344 -5.948 1.00 0.96 H new ATOM 0 HD3 ARG A 403 104.110 15.327 -6.533 1.00 0.96 H new ATOM 0 HE ARG A 403 104.855 13.485 -7.910 1.00 1.38 H new ATOM 0 HH11 ARG A 403 102.555 12.540 -5.442 1.00 2.48 H new ATOM 0 HH12 ARG A 403 102.359 10.905 -6.082 1.00 2.48 H new ATOM 0 HH21 ARG A 403 104.596 11.397 -8.722 1.00 2.46 H new ATOM 0 HH22 ARG A 403 103.502 10.265 -7.919 1.00 2.46 H new ATOM 1383 N HIS A 404 102.203 13.609 -3.373 1.00 0.74 N ATOM 1384 CA HIS A 404 100.855 13.088 -3.743 1.00 0.86 C ATOM 1385 C HIS A 404 99.791 13.629 -2.784 1.00 0.84 C ATOM 1386 O HIS A 404 98.721 14.040 -3.192 1.00 0.94 O ATOM 1387 CB HIS A 404 100.972 11.570 -3.618 1.00 0.92 C ATOM 1388 CG HIS A 404 99.670 10.932 -4.019 1.00 1.32 C ATOM 1389 ND1 HIS A 404 99.175 11.015 -5.310 1.00 1.39 N ATOM 1390 CD2 HIS A 404 98.750 10.202 -3.310 1.00 2.29 C ATOM 1391 CE1 HIS A 404 98.004 10.352 -5.339 1.00 1.88 C ATOM 1392 NE2 HIS A 404 97.698 9.836 -4.145 1.00 2.43 N ATOM 0 H HIS A 404 102.868 12.907 -3.048 1.00 0.74 H new ATOM 0 HA HIS A 404 100.556 13.393 -4.746 1.00 0.86 H new ATOM 0 HB2 HIS A 404 101.779 11.203 -4.252 1.00 0.92 H new ATOM 0 HB3 HIS A 404 101.223 11.297 -2.593 1.00 0.92 H new ATOM 0 HD1 HIS A 404 99.617 11.492 -6.096 1.00 1.39 H new ATOM 0 HD2 HIS A 404 98.830 9.950 -2.263 1.00 2.29 H new ATOM 0 HE1 HIS A 404 97.387 10.250 -6.220 1.00 1.88 H new ATOM 1400 N VAL A 405 100.089 13.674 -1.516 1.00 0.76 N ATOM 1401 CA VAL A 405 99.111 14.229 -0.542 1.00 0.79 C ATOM 1402 C VAL A 405 98.868 15.716 -0.812 1.00 0.85 C ATOM 1403 O VAL A 405 97.752 16.184 -0.785 1.00 0.94 O ATOM 1404 CB VAL A 405 99.758 14.026 0.828 1.00 0.76 C ATOM 1405 CG1 VAL A 405 98.851 14.606 1.914 1.00 0.80 C ATOM 1406 CG2 VAL A 405 99.963 12.530 1.080 1.00 0.76 C ATOM 0 H VAL A 405 100.968 13.350 -1.112 1.00 0.76 H new ATOM 0 HA VAL A 405 98.140 13.739 -0.611 1.00 0.79 H new ATOM 0 HB VAL A 405 100.722 14.534 0.851 1.00 0.76 H new ATOM 0 HG11 VAL A 405 99.313 14.461 2.890 1.00 0.80 H new ATOM 0 HG12 VAL A 405 98.706 15.672 1.736 1.00 0.80 H new ATOM 0 HG13 VAL A 405 97.886 14.100 1.891 1.00 0.80 H new ATOM 0 HG21 VAL A 405 100.424 12.385 2.057 1.00 0.76 H new ATOM 0 HG22 VAL A 405 98.999 12.021 1.055 1.00 0.76 H new ATOM 0 HG23 VAL A 405 100.612 12.116 0.308 1.00 0.76 H new ATOM 1416 N GLU A 406 99.905 16.473 -1.033 1.00 0.84 N ATOM 1417 CA GLU A 406 99.718 17.937 -1.252 1.00 0.95 C ATOM 1418 C GLU A 406 98.880 18.197 -2.509 1.00 1.05 C ATOM 1419 O GLU A 406 98.083 19.114 -2.552 1.00 1.19 O ATOM 1420 CB GLU A 406 101.130 18.496 -1.424 1.00 0.91 C ATOM 1421 CG GLU A 406 101.911 18.320 -0.120 1.00 0.88 C ATOM 1422 CD GLU A 406 103.303 18.937 -0.271 1.00 1.43 C ATOM 1423 OE1 GLU A 406 103.651 19.300 -1.383 1.00 2.16 O ATOM 1424 OE2 GLU A 406 103.997 19.035 0.727 1.00 1.86 O ATOM 0 H GLU A 406 100.870 16.145 -1.072 1.00 0.84 H new ATOM 0 HA GLU A 406 99.188 18.407 -0.424 1.00 0.95 H new ATOM 0 HB2 GLU A 406 101.640 17.981 -2.238 1.00 0.91 H new ATOM 0 HB3 GLU A 406 101.085 19.551 -1.694 1.00 0.91 H new ATOM 0 HG2 GLU A 406 101.378 18.796 0.703 1.00 0.88 H new ATOM 0 HG3 GLU A 406 101.996 17.261 0.126 1.00 0.88 H new ATOM 1431 N ALA A 407 99.045 17.401 -3.531 1.00 1.02 N ATOM 1432 CA ALA A 407 98.246 17.615 -4.774 1.00 1.17 C ATOM 1433 C ALA A 407 96.767 17.361 -4.485 1.00 1.32 C ATOM 1434 O ALA A 407 95.913 18.160 -4.815 1.00 1.53 O ATOM 1435 CB ALA A 407 98.783 16.591 -5.773 1.00 1.12 C ATOM 0 H ALA A 407 99.695 16.615 -3.560 1.00 1.02 H new ATOM 0 HA ALA A 407 98.330 18.632 -5.156 1.00 1.17 H new ATOM 0 HB1 ALA A 407 98.244 16.685 -6.716 1.00 1.12 H new ATOM 0 HB2 ALA A 407 99.845 16.770 -5.942 1.00 1.12 H new ATOM 0 HB3 ALA A 407 98.644 15.586 -5.374 1.00 1.12 H new ATOM 1441 N ASN A 408 96.484 16.337 -3.735 1.00 1.23 N ATOM 1442 CA ASN A 408 95.094 16.116 -3.259 1.00 1.37 C ATOM 1443 C ASN A 408 94.713 17.229 -2.287 1.00 1.44 C ATOM 1444 O ASN A 408 93.553 17.511 -2.063 1.00 1.60 O ATOM 1445 CB ASN A 408 95.145 14.769 -2.546 1.00 1.27 C ATOM 1446 CG ASN A 408 95.299 13.650 -3.577 1.00 1.88 C ATOM 1447 OD1 ASN A 408 94.580 13.678 -4.666 1.00 2.75 O flip ATOM 1448 ND2 ASN A 408 96.082 12.739 -3.390 1.00 2.02 N flip ATOM 0 H ASN A 408 97.161 15.638 -3.429 1.00 1.23 H new ATOM 0 HA ASN A 408 94.357 16.121 -4.062 1.00 1.37 H new ATOM 0 HB2 ASN A 408 95.979 14.749 -1.844 1.00 1.27 H new ATOM 0 HB3 ASN A 408 94.235 14.619 -1.964 1.00 1.27 H new ATOM 0 HD21 ASN A 408 96.644 12.716 -2.539 1.00 2.02 H new ATOM 0 HD22 ASN A 408 96.177 11.997 -4.084 1.00 2.02 H new ATOM 1455 N GLY A 409 95.691 17.789 -1.636 1.00 1.37 N ATOM 1456 CA GLY A 409 95.414 18.803 -0.590 1.00 1.51 C ATOM 1457 C GLY A 409 95.412 18.124 0.780 1.00 1.69 C ATOM 1458 O GLY A 409 94.840 18.620 1.731 1.00 2.28 O ATOM 0 H GLY A 409 96.679 17.584 -1.787 1.00 1.37 H new ATOM 0 HA2 GLY A 409 96.169 19.588 -0.619 1.00 1.51 H new ATOM 0 HA3 GLY A 409 94.451 19.280 -0.774 1.00 1.51 H new ATOM 1462 N GLY A 410 96.081 17.009 0.893 1.00 1.39 N ATOM 1463 CA GLY A 410 96.159 16.311 2.208 1.00 1.72 C ATOM 1464 C GLY A 410 97.407 16.780 2.959 1.00 1.26 C ATOM 1465 O GLY A 410 98.054 17.731 2.568 1.00 1.69 O ATOM 0 H GLY A 410 96.578 16.550 0.130 1.00 1.39 H new ATOM 0 HA2 GLY A 410 95.266 16.521 2.797 1.00 1.72 H new ATOM 0 HA3 GLY A 410 96.195 15.232 2.058 1.00 1.72 H new ATOM 1469 N HIS A 411 97.765 16.111 4.021 1.00 0.88 N ATOM 1470 CA HIS A 411 98.987 16.514 4.775 1.00 1.32 C ATOM 1471 C HIS A 411 99.738 15.280 5.281 1.00 1.27 C ATOM 1472 O HIS A 411 99.146 14.266 5.598 1.00 1.52 O ATOM 1473 CB HIS A 411 98.474 17.347 5.949 1.00 1.83 C ATOM 1474 CG HIS A 411 99.641 17.902 6.719 1.00 2.66 C ATOM 1475 ND1 HIS A 411 100.520 18.821 6.168 1.00 3.39 N ATOM 1476 CD2 HIS A 411 100.087 17.676 7.997 1.00 3.34 C ATOM 1477 CE1 HIS A 411 101.441 19.112 7.104 1.00 4.16 C ATOM 1478 NE2 HIS A 411 101.224 18.441 8.239 1.00 4.13 N ATOM 0 H HIS A 411 97.266 15.305 4.399 1.00 0.88 H new ATOM 0 HA HIS A 411 99.685 17.072 4.152 1.00 1.32 H new ATOM 0 HB2 HIS A 411 97.846 18.160 5.585 1.00 1.83 H new ATOM 0 HB3 HIS A 411 97.854 16.732 6.601 1.00 1.83 H new ATOM 0 HD2 HIS A 411 99.626 17.006 8.707 1.00 3.34 H new ATOM 0 HE1 HIS A 411 102.257 19.804 6.956 1.00 4.16 H new ATOM 0 HE2 HIS A 411 101.773 18.481 9.098 1.00 4.13 H new ATOM 1486 N PHE A 412 101.035 15.371 5.394 1.00 1.04 N ATOM 1487 CA PHE A 412 101.825 14.221 5.922 1.00 1.06 C ATOM 1488 C PHE A 412 102.003 14.358 7.438 1.00 1.03 C ATOM 1489 O PHE A 412 102.684 15.250 7.905 1.00 1.05 O ATOM 1490 CB PHE A 412 103.176 14.319 5.211 1.00 1.03 C ATOM 1491 CG PHE A 412 103.755 12.939 5.025 1.00 1.36 C ATOM 1492 CD1 PHE A 412 104.392 12.294 6.095 1.00 1.90 C ATOM 1493 CD2 PHE A 412 103.659 12.302 3.779 1.00 1.73 C ATOM 1494 CE1 PHE A 412 104.933 11.012 5.919 1.00 2.91 C ATOM 1495 CE2 PHE A 412 104.200 11.020 3.605 1.00 2.70 C ATOM 1496 CZ PHE A 412 104.836 10.375 4.675 1.00 3.31 C ATOM 0 H PHE A 412 101.583 16.194 5.143 1.00 1.04 H new ATOM 0 HA PHE A 412 101.338 13.262 5.745 1.00 1.06 H new ATOM 0 HB2 PHE A 412 103.054 14.806 4.243 1.00 1.03 H new ATOM 0 HB3 PHE A 412 103.860 14.935 5.794 1.00 1.03 H new ATOM 0 HD1 PHE A 412 104.466 12.784 7.054 1.00 1.90 H new ATOM 0 HD2 PHE A 412 103.169 12.798 2.954 1.00 1.73 H new ATOM 0 HE1 PHE A 412 105.425 10.516 6.743 1.00 2.91 H new ATOM 0 HE2 PHE A 412 104.127 10.529 2.646 1.00 2.70 H new ATOM 0 HZ PHE A 412 105.251 9.387 4.540 1.00 3.31 H new ATOM 1506 N PRO A 413 101.333 13.498 8.161 1.00 1.03 N ATOM 1507 CA PRO A 413 101.364 13.558 9.645 1.00 1.06 C ATOM 1508 C PRO A 413 102.793 13.387 10.168 1.00 0.96 C ATOM 1509 O PRO A 413 103.558 12.588 9.664 1.00 0.88 O ATOM 1510 CB PRO A 413 100.486 12.385 10.086 1.00 1.16 C ATOM 1511 CG PRO A 413 99.700 11.988 8.875 1.00 1.23 C ATOM 1512 CD PRO A 413 100.496 12.402 7.668 1.00 1.05 C ATOM 0 HA PRO A 413 101.011 14.515 10.030 1.00 1.06 H new ATOM 0 HB2 PRO A 413 101.094 11.555 10.447 1.00 1.16 H new ATOM 0 HB3 PRO A 413 99.826 12.676 10.903 1.00 1.16 H new ATOM 0 HG2 PRO A 413 99.523 10.913 8.868 1.00 1.23 H new ATOM 0 HG3 PRO A 413 98.723 12.472 8.875 1.00 1.23 H new ATOM 0 HD2 PRO A 413 101.099 11.579 7.285 1.00 1.05 H new ATOM 0 HD3 PRO A 413 99.848 12.728 6.854 1.00 1.05 H new ATOM 1520 N THR A 414 103.156 14.126 11.182 1.00 1.01 N ATOM 1521 CA THR A 414 104.531 13.999 11.748 1.00 0.97 C ATOM 1522 C THR A 414 104.782 12.567 12.221 1.00 0.92 C ATOM 1523 O THR A 414 105.842 12.019 12.022 1.00 0.84 O ATOM 1524 CB THR A 414 104.568 14.977 12.928 1.00 1.09 C ATOM 1525 OG1 THR A 414 105.919 15.239 13.280 1.00 1.63 O ATOM 1526 CG2 THR A 414 103.835 14.373 14.130 1.00 1.75 C ATOM 0 H THR A 414 102.559 14.813 11.643 1.00 1.01 H new ATOM 0 HA THR A 414 105.302 14.224 11.012 1.00 0.97 H new ATOM 0 HB THR A 414 104.076 15.906 12.640 1.00 1.09 H new ATOM 0 HG1 THR A 414 105.945 15.865 14.033 1.00 1.63 H new ATOM 0 HG21 THR A 414 103.866 15.074 14.964 1.00 1.75 H new ATOM 0 HG22 THR A 414 102.798 14.174 13.861 1.00 1.75 H new ATOM 0 HG23 THR A 414 104.320 13.441 14.421 1.00 1.75 H new ATOM 1534 N ASP A 415 103.825 11.963 12.865 1.00 0.99 N ATOM 1535 CA ASP A 415 104.038 10.578 13.364 1.00 0.97 C ATOM 1536 C ASP A 415 104.434 9.660 12.204 1.00 0.83 C ATOM 1537 O ASP A 415 105.317 8.839 12.327 1.00 0.84 O ATOM 1538 CB ASP A 415 102.691 10.156 13.950 1.00 1.08 C ATOM 1539 CG ASP A 415 102.401 10.981 15.205 1.00 1.27 C ATOM 1540 OD1 ASP A 415 103.307 11.652 15.670 1.00 1.87 O ATOM 1541 OD2 ASP A 415 101.279 10.926 15.680 1.00 1.80 O ATOM 0 H ASP A 415 102.910 12.365 13.067 1.00 0.99 H new ATOM 0 HA ASP A 415 104.836 10.520 14.104 1.00 0.97 H new ATOM 0 HB2 ASP A 415 101.900 10.303 13.214 1.00 1.08 H new ATOM 0 HB3 ASP A 415 102.705 9.094 14.195 1.00 1.08 H new ATOM 1546 N VAL A 416 103.810 9.811 11.071 1.00 0.71 N ATOM 1547 CA VAL A 416 104.176 8.962 9.901 1.00 0.60 C ATOM 1548 C VAL A 416 105.582 9.303 9.400 1.00 0.51 C ATOM 1549 O VAL A 416 106.375 8.432 9.111 1.00 0.46 O ATOM 1550 CB VAL A 416 103.134 9.291 8.836 1.00 0.58 C ATOM 1551 CG1 VAL A 416 103.564 8.695 7.494 1.00 0.51 C ATOM 1552 CG2 VAL A 416 101.787 8.697 9.246 1.00 0.71 C ATOM 0 H VAL A 416 103.063 10.484 10.903 1.00 0.71 H new ATOM 0 HA VAL A 416 104.187 7.902 10.154 1.00 0.60 H new ATOM 0 HB VAL A 416 103.044 10.373 8.739 1.00 0.58 H new ATOM 0 HG11 VAL A 416 102.818 8.931 6.735 1.00 0.51 H new ATOM 0 HG12 VAL A 416 104.526 9.115 7.201 1.00 0.51 H new ATOM 0 HG13 VAL A 416 103.655 7.613 7.589 1.00 0.51 H new ATOM 0 HG21 VAL A 416 101.040 8.930 8.487 1.00 0.71 H new ATOM 0 HG22 VAL A 416 101.881 7.615 9.342 1.00 0.71 H new ATOM 0 HG23 VAL A 416 101.478 9.121 10.201 1.00 0.71 H new ATOM 1562 N ASP A 417 105.921 10.559 9.355 1.00 0.53 N ATOM 1563 CA ASP A 417 107.301 10.938 8.942 1.00 0.53 C ATOM 1564 C ASP A 417 108.319 10.367 9.932 1.00 0.58 C ATOM 1565 O ASP A 417 109.354 9.856 9.554 1.00 0.60 O ATOM 1566 CB ASP A 417 107.315 12.466 8.966 1.00 0.61 C ATOM 1567 CG ASP A 417 108.627 12.977 8.368 1.00 1.03 C ATOM 1568 OD1 ASP A 417 108.700 13.080 7.154 1.00 1.15 O ATOM 1569 OD2 ASP A 417 109.536 13.257 9.133 1.00 1.81 O ATOM 0 H ASP A 417 105.305 11.339 9.585 1.00 0.53 H new ATOM 0 HA ASP A 417 107.565 10.548 7.959 1.00 0.53 H new ATOM 0 HB2 ASP A 417 106.469 12.856 8.400 1.00 0.61 H new ATOM 0 HB3 ASP A 417 107.206 12.825 9.990 1.00 0.61 H new ATOM 1574 N GLN A 418 107.986 10.365 11.190 1.00 0.62 N ATOM 1575 CA GLN A 418 108.877 9.736 12.203 1.00 0.68 C ATOM 1576 C GLN A 418 108.991 8.226 11.964 1.00 0.69 C ATOM 1577 O GLN A 418 110.061 7.663 12.049 1.00 0.81 O ATOM 1578 CB GLN A 418 108.203 10.038 13.542 1.00 0.73 C ATOM 1579 CG GLN A 418 108.322 11.533 13.848 1.00 1.31 C ATOM 1580 CD GLN A 418 107.612 11.841 15.168 1.00 1.86 C ATOM 1581 OE1 GLN A 418 106.823 11.050 15.645 1.00 1.96 O ATOM 1582 NE2 GLN A 418 107.862 12.966 15.781 1.00 2.60 N ATOM 0 H GLN A 418 107.130 10.774 11.563 1.00 0.62 H new ATOM 0 HA GLN A 418 109.896 10.121 12.162 1.00 0.68 H new ATOM 0 HB2 GLN A 418 107.154 9.746 13.507 1.00 0.73 H new ATOM 0 HB3 GLN A 418 108.670 9.455 14.336 1.00 0.73 H new ATOM 0 HG2 GLN A 418 109.372 11.820 13.912 1.00 1.31 H new ATOM 0 HG3 GLN A 418 107.881 12.117 13.040 1.00 1.31 H new ATOM 0 HE21 GLN A 418 108.525 13.629 15.379 1.00 2.60 H new ATOM 0 HE22 GLN A 418 107.395 13.182 16.662 1.00 2.60 H new ATOM 1591 N LYS A 419 107.912 7.563 11.652 1.00 0.61 N ATOM 1592 CA LYS A 419 108.001 6.094 11.401 1.00 0.63 C ATOM 1593 C LYS A 419 108.888 5.802 10.185 1.00 0.62 C ATOM 1594 O LYS A 419 109.672 4.879 10.188 1.00 0.71 O ATOM 1595 CB LYS A 419 106.562 5.647 11.139 1.00 0.57 C ATOM 1596 CG LYS A 419 105.746 5.778 12.426 1.00 0.81 C ATOM 1597 CD LYS A 419 104.330 5.248 12.192 1.00 0.93 C ATOM 1598 CE LYS A 419 103.482 5.490 13.443 1.00 1.33 C ATOM 1599 NZ LYS A 419 104.338 5.049 14.578 1.00 2.49 N ATOM 0 H LYS A 419 106.980 7.968 11.560 1.00 0.61 H new ATOM 0 HA LYS A 419 108.447 5.564 12.243 1.00 0.63 H new ATOM 0 HB2 LYS A 419 106.118 6.255 10.351 1.00 0.57 H new ATOM 0 HB3 LYS A 419 106.548 4.614 10.790 1.00 0.57 H new ATOM 0 HG2 LYS A 419 106.225 5.221 13.231 1.00 0.81 H new ATOM 0 HG3 LYS A 419 105.708 6.821 12.740 1.00 0.81 H new ATOM 0 HD2 LYS A 419 103.881 5.747 11.333 1.00 0.93 H new ATOM 0 HD3 LYS A 419 104.362 4.183 11.962 1.00 0.93 H new ATOM 0 HE2 LYS A 419 103.210 6.541 13.539 1.00 1.33 H new ATOM 0 HE3 LYS A 419 102.552 4.922 13.406 1.00 1.33 H new ATOM 0 HZ1 LYS A 419 103.739 4.827 15.399 1.00 2.49 H new ATOM 0 HZ2 LYS A 419 104.873 4.201 14.301 1.00 2.49 H new ATOM 0 HZ3 LYS A 419 105.001 5.810 14.829 1.00 2.49 H new ATOM 1613 N VAL A 420 108.795 6.600 9.158 1.00 0.56 N ATOM 1614 CA VAL A 420 109.650 6.383 7.951 1.00 0.62 C ATOM 1615 C VAL A 420 111.122 6.611 8.295 1.00 0.71 C ATOM 1616 O VAL A 420 112.002 5.912 7.835 1.00 0.79 O ATOM 1617 CB VAL A 420 109.176 7.433 6.947 1.00 0.60 C ATOM 1618 CG1 VAL A 420 110.103 7.438 5.732 1.00 0.70 C ATOM 1619 CG2 VAL A 420 107.751 7.109 6.499 1.00 0.59 C ATOM 0 H VAL A 420 108.162 7.397 9.100 1.00 0.56 H new ATOM 0 HA VAL A 420 109.566 5.368 7.563 1.00 0.62 H new ATOM 0 HB VAL A 420 109.193 8.415 7.420 1.00 0.60 H new ATOM 0 HG11 VAL A 420 109.763 8.188 5.018 1.00 0.70 H new ATOM 0 HG12 VAL A 420 111.118 7.674 6.050 1.00 0.70 H new ATOM 0 HG13 VAL A 420 110.090 6.455 5.260 1.00 0.70 H new ATOM 0 HG21 VAL A 420 107.415 7.859 5.783 1.00 0.59 H new ATOM 0 HG22 VAL A 420 107.732 6.125 6.030 1.00 0.59 H new ATOM 0 HG23 VAL A 420 107.088 7.111 7.364 1.00 0.59 H new ATOM 1629 N ASP A 421 111.388 7.605 9.086 1.00 0.72 N ATOM 1630 CA ASP A 421 112.794 7.922 9.457 1.00 0.84 C ATOM 1631 C ASP A 421 113.379 6.817 10.339 1.00 0.91 C ATOM 1632 O ASP A 421 114.485 6.362 10.130 1.00 1.00 O ATOM 1633 CB ASP A 421 112.691 9.235 10.229 1.00 0.88 C ATOM 1634 CG ASP A 421 112.384 10.375 9.256 1.00 1.14 C ATOM 1635 OD1 ASP A 421 112.428 10.137 8.061 1.00 1.25 O ATOM 1636 OD2 ASP A 421 112.108 11.468 9.724 1.00 2.05 O ATOM 0 H ASP A 421 110.686 8.220 9.497 1.00 0.72 H new ATOM 0 HA ASP A 421 113.450 8.000 8.590 1.00 0.84 H new ATOM 0 HB2 ASP A 421 111.907 9.165 10.983 1.00 0.88 H new ATOM 0 HB3 ASP A 421 113.624 9.434 10.756 1.00 0.88 H new ATOM 1641 N GLN A 422 112.620 6.344 11.285 1.00 0.89 N ATOM 1642 CA GLN A 422 113.101 5.222 12.137 1.00 0.98 C ATOM 1643 C GLN A 422 113.255 3.959 11.289 1.00 0.98 C ATOM 1644 O GLN A 422 114.185 3.197 11.455 1.00 1.07 O ATOM 1645 CB GLN A 422 112.017 5.041 13.200 1.00 0.99 C ATOM 1646 CG GLN A 422 111.881 6.331 14.016 1.00 1.32 C ATOM 1647 CD GLN A 422 110.786 6.155 15.070 1.00 1.77 C ATOM 1648 OE1 GLN A 422 109.978 5.253 14.978 1.00 2.33 O ATOM 1649 NE2 GLN A 422 110.725 6.986 16.074 1.00 2.33 N ATOM 0 H GLN A 422 111.685 6.686 11.506 1.00 0.89 H new ATOM 0 HA GLN A 422 114.073 5.421 12.588 1.00 0.98 H new ATOM 0 HB2 GLN A 422 111.066 4.795 12.727 1.00 0.99 H new ATOM 0 HB3 GLN A 422 112.271 4.208 13.856 1.00 0.99 H new ATOM 0 HG2 GLN A 422 112.829 6.571 14.498 1.00 1.32 H new ATOM 0 HG3 GLN A 422 111.637 7.166 13.359 1.00 1.32 H new ATOM 0 HE21 GLN A 422 111.404 7.743 16.151 1.00 2.33 H new ATOM 0 HE22 GLN A 422 109.999 6.878 16.782 1.00 2.33 H new ATOM 1658 N VAL A 423 112.438 3.812 10.288 1.00 0.91 N ATOM 1659 CA VAL A 423 112.635 2.699 9.328 1.00 0.94 C ATOM 1660 C VAL A 423 113.989 2.855 8.630 1.00 0.96 C ATOM 1661 O VAL A 423 114.718 1.902 8.441 1.00 1.00 O ATOM 1662 CB VAL A 423 111.495 2.866 8.331 1.00 0.92 C ATOM 1663 CG1 VAL A 423 111.650 1.858 7.192 1.00 0.95 C ATOM 1664 CG2 VAL A 423 110.160 2.642 9.038 1.00 0.99 C ATOM 0 H VAL A 423 111.640 4.417 10.094 1.00 0.91 H new ATOM 0 HA VAL A 423 112.632 1.717 9.801 1.00 0.94 H new ATOM 0 HB VAL A 423 111.522 3.875 7.921 1.00 0.92 H new ATOM 0 HG11 VAL A 423 110.832 1.982 6.482 1.00 0.95 H new ATOM 0 HG12 VAL A 423 112.600 2.026 6.684 1.00 0.95 H new ATOM 0 HG13 VAL A 423 111.629 0.846 7.596 1.00 0.95 H new ATOM 0 HG21 VAL A 423 109.345 2.762 8.324 1.00 0.99 H new ATOM 0 HG22 VAL A 423 110.133 1.635 9.454 1.00 0.99 H new ATOM 0 HG23 VAL A 423 110.047 3.369 9.842 1.00 0.99 H new ATOM 1674 N ALA A 424 114.328 4.057 8.249 1.00 0.98 N ATOM 1675 CA ALA A 424 115.633 4.288 7.565 1.00 1.07 C ATOM 1676 C ALA A 424 116.789 4.168 8.559 1.00 1.17 C ATOM 1677 O ALA A 424 117.747 3.458 8.330 1.00 1.24 O ATOM 1678 CB ALA A 424 115.545 5.714 7.030 1.00 1.09 C ATOM 0 H ALA A 424 113.756 4.891 8.382 1.00 0.98 H new ATOM 0 HA ALA A 424 115.817 3.558 6.776 1.00 1.07 H new ATOM 0 HB1 ALA A 424 116.470 5.965 6.510 1.00 1.09 H new ATOM 0 HB2 ALA A 424 114.707 5.792 6.338 1.00 1.09 H new ATOM 0 HB3 ALA A 424 115.396 6.405 7.859 1.00 1.09 H new ATOM 1684 N ARG A 425 116.729 4.893 9.645 1.00 1.23 N ATOM 1685 CA ARG A 425 117.850 4.853 10.626 1.00 1.39 C ATOM 1686 C ARG A 425 118.106 3.410 11.062 1.00 1.38 C ATOM 1687 O ARG A 425 119.167 3.073 11.546 1.00 1.53 O ATOM 1688 CB ARG A 425 117.388 5.719 11.807 1.00 1.57 C ATOM 1689 CG ARG A 425 116.460 4.919 12.726 1.00 2.17 C ATOM 1690 CD ARG A 425 115.974 5.816 13.867 1.00 2.43 C ATOM 1691 NE ARG A 425 117.214 6.270 14.555 1.00 2.68 N ATOM 1692 CZ ARG A 425 117.144 7.114 15.549 1.00 3.44 C ATOM 1693 NH1 ARG A 425 115.984 7.567 15.947 1.00 4.11 N ATOM 1694 NH2 ARG A 425 118.235 7.506 16.148 1.00 3.73 N ATOM 0 H ARG A 425 115.955 5.509 9.893 1.00 1.23 H new ATOM 0 HA ARG A 425 118.785 5.226 10.208 1.00 1.39 H new ATOM 0 HB2 ARG A 425 118.253 6.069 12.370 1.00 1.57 H new ATOM 0 HB3 ARG A 425 116.869 6.603 11.437 1.00 1.57 H new ATOM 0 HG2 ARG A 425 115.609 4.539 12.160 1.00 2.17 H new ATOM 0 HG3 ARG A 425 116.987 4.054 13.129 1.00 2.17 H new ATOM 0 HD2 ARG A 425 115.401 6.662 13.487 1.00 2.43 H new ATOM 0 HD3 ARG A 425 115.322 5.269 14.548 1.00 2.43 H new ATOM 0 HE ARG A 425 118.122 5.920 14.249 1.00 2.68 H new ATOM 0 HH11 ARG A 425 115.130 7.261 15.481 1.00 4.11 H new ATOM 0 HH12 ARG A 425 115.933 8.226 16.724 1.00 4.11 H new ATOM 0 HH21 ARG A 425 119.141 7.153 15.840 1.00 3.73 H new ATOM 0 HH22 ARG A 425 118.182 8.165 16.925 1.00 3.73 H new ATOM 1708 N GLN A 426 117.137 2.555 10.884 1.00 1.26 N ATOM 1709 CA GLN A 426 117.326 1.126 11.279 1.00 1.33 C ATOM 1710 C GLN A 426 117.863 0.308 10.102 1.00 1.26 C ATOM 1711 O GLN A 426 118.044 -0.890 10.200 1.00 1.33 O ATOM 1712 CB GLN A 426 115.939 0.641 11.693 1.00 1.34 C ATOM 1713 CG GLN A 426 115.512 1.374 12.965 1.00 1.95 C ATOM 1714 CD GLN A 426 114.066 1.009 13.306 1.00 2.42 C ATOM 1715 OE1 GLN A 426 113.343 0.497 12.475 1.00 2.68 O ATOM 1716 NE2 GLN A 426 113.611 1.253 14.505 1.00 2.92 N ATOM 0 H GLN A 426 116.226 2.780 10.484 1.00 1.26 H new ATOM 0 HA GLN A 426 118.050 1.016 12.086 1.00 1.33 H new ATOM 0 HB2 GLN A 426 115.222 0.826 10.893 1.00 1.34 H new ATOM 0 HB3 GLN A 426 115.953 -0.435 11.866 1.00 1.34 H new ATOM 0 HG2 GLN A 426 116.170 1.104 13.791 1.00 1.95 H new ATOM 0 HG3 GLN A 426 115.602 2.451 12.824 1.00 1.95 H new ATOM 0 HE21 GLN A 426 114.218 1.683 15.203 1.00 2.92 H new ATOM 0 HE22 GLN A 426 112.649 1.014 14.744 1.00 2.92 H new ATOM 1725 N GLY A 427 118.198 0.955 9.022 1.00 1.16 N ATOM 1726 CA GLY A 427 118.813 0.222 7.877 1.00 1.14 C ATOM 1727 C GLY A 427 117.716 -0.314 6.956 1.00 1.07 C ATOM 1728 O GLY A 427 117.975 -1.073 6.043 1.00 1.11 O ATOM 0 H GLY A 427 118.074 1.957 8.881 1.00 1.16 H new ATOM 0 HA2 GLY A 427 119.475 0.886 7.321 1.00 1.14 H new ATOM 0 HA3 GLY A 427 119.425 -0.601 8.247 1.00 1.14 H new ATOM 1732 N ALA A 428 116.500 0.100 7.167 1.00 1.07 N ATOM 1733 CA ALA A 428 115.388 -0.353 6.283 1.00 1.00 C ATOM 1734 C ALA A 428 115.002 0.767 5.317 1.00 0.94 C ATOM 1735 O ALA A 428 115.113 1.933 5.635 1.00 0.97 O ATOM 1736 CB ALA A 428 114.231 -0.666 7.231 1.00 1.04 C ATOM 0 H ALA A 428 116.225 0.735 7.916 1.00 1.07 H new ATOM 0 HA ALA A 428 115.662 -1.218 5.679 1.00 1.00 H new ATOM 0 HB1 ALA A 428 113.371 -1.007 6.655 1.00 1.04 H new ATOM 0 HB2 ALA A 428 114.533 -1.447 7.929 1.00 1.04 H new ATOM 0 HB3 ALA A 428 113.962 0.233 7.786 1.00 1.04 H new ATOM 1742 N THR A 429 114.449 0.421 4.190 1.00 0.92 N ATOM 1743 CA THR A 429 113.935 1.471 3.264 1.00 0.88 C ATOM 1744 C THR A 429 112.454 1.706 3.547 1.00 0.65 C ATOM 1745 O THR A 429 111.633 0.850 3.287 1.00 0.62 O ATOM 1746 CB THR A 429 114.125 0.904 1.853 1.00 1.00 C ATOM 1747 OG1 THR A 429 115.485 1.054 1.467 1.00 1.21 O ATOM 1748 CG2 THR A 429 113.225 1.654 0.861 1.00 1.00 C ATOM 0 H THR A 429 114.330 -0.540 3.869 1.00 0.92 H new ATOM 0 HA THR A 429 114.454 2.422 3.382 1.00 0.88 H new ATOM 0 HB THR A 429 113.855 -0.152 1.850 1.00 1.00 H new ATOM 0 HG1 THR A 429 115.539 1.158 0.494 1.00 1.21 H new ATOM 0 HG21 THR A 429 113.366 1.245 -0.139 1.00 1.00 H new ATOM 0 HG22 THR A 429 112.182 1.538 1.157 1.00 1.00 H new ATOM 0 HG23 THR A 429 113.487 2.712 0.860 1.00 1.00 H new ATOM 1756 N PRO A 430 112.166 2.845 4.108 1.00 0.70 N ATOM 1757 CA PRO A 430 110.776 3.182 4.465 1.00 0.55 C ATOM 1758 C PRO A 430 110.007 3.637 3.224 1.00 0.54 C ATOM 1759 O PRO A 430 110.036 4.798 2.866 1.00 0.68 O ATOM 1760 CB PRO A 430 110.917 4.339 5.461 1.00 0.81 C ATOM 1761 CG PRO A 430 112.394 4.583 5.624 1.00 1.20 C ATOM 1762 CD PRO A 430 113.088 3.914 4.470 1.00 1.04 C ATOM 0 HA PRO A 430 110.229 2.335 4.880 1.00 0.55 H new ATOM 0 HB2 PRO A 430 110.414 5.233 5.091 1.00 0.81 H new ATOM 0 HB3 PRO A 430 110.457 4.087 6.417 1.00 0.81 H new ATOM 0 HG2 PRO A 430 112.608 5.652 5.634 1.00 1.20 H new ATOM 0 HG3 PRO A 430 112.748 4.178 6.572 1.00 1.20 H new ATOM 0 HD2 PRO A 430 113.251 4.604 3.642 1.00 1.04 H new ATOM 0 HD3 PRO A 430 114.065 3.525 4.757 1.00 1.04 H new ATOM 1770 N LEU A 431 109.122 2.813 2.740 1.00 0.47 N ATOM 1771 CA LEU A 431 108.140 3.310 1.742 1.00 0.56 C ATOM 1772 C LEU A 431 106.908 3.817 2.480 1.00 0.54 C ATOM 1773 O LEU A 431 106.533 3.286 3.498 1.00 0.59 O ATOM 1774 CB LEU A 431 107.762 2.106 0.880 1.00 0.59 C ATOM 1775 CG LEU A 431 108.979 1.603 0.115 1.00 0.59 C ATOM 1776 CD1 LEU A 431 108.576 0.382 -0.712 1.00 1.14 C ATOM 1777 CD2 LEU A 431 109.483 2.704 -0.820 1.00 1.40 C ATOM 0 H LEU A 431 109.037 1.828 2.989 1.00 0.47 H new ATOM 0 HA LEU A 431 108.545 4.119 1.135 1.00 0.56 H new ATOM 0 HB2 LEU A 431 107.364 1.310 1.509 1.00 0.59 H new ATOM 0 HB3 LEU A 431 106.973 2.384 0.181 1.00 0.59 H new ATOM 0 HG LEU A 431 109.769 1.332 0.815 1.00 0.59 H new ATOM 0 HD11 LEU A 431 109.441 0.014 -1.264 1.00 1.14 H new ATOM 0 HD12 LEU A 431 108.209 -0.401 -0.049 1.00 1.14 H new ATOM 0 HD13 LEU A 431 107.790 0.661 -1.414 1.00 1.14 H new ATOM 0 HD21 LEU A 431 110.354 2.345 -1.368 1.00 1.40 H new ATOM 0 HD22 LEU A 431 108.696 2.972 -1.525 1.00 1.40 H new ATOM 0 HD23 LEU A 431 109.759 3.581 -0.234 1.00 1.40 H new ATOM 1789 N VAL A 432 106.290 4.847 2.002 1.00 0.49 N ATOM 1790 CA VAL A 432 105.102 5.373 2.726 1.00 0.48 C ATOM 1791 C VAL A 432 103.829 5.079 1.933 1.00 0.48 C ATOM 1792 O VAL A 432 103.801 5.190 0.724 1.00 0.52 O ATOM 1793 CB VAL A 432 105.337 6.876 2.844 1.00 0.43 C ATOM 1794 CG1 VAL A 432 104.186 7.515 3.624 1.00 0.45 C ATOM 1795 CG2 VAL A 432 106.653 7.129 3.582 1.00 0.51 C ATOM 0 H VAL A 432 106.547 5.347 1.151 1.00 0.49 H new ATOM 0 HA VAL A 432 104.976 4.910 3.705 1.00 0.48 H new ATOM 0 HB VAL A 432 105.387 7.314 1.847 1.00 0.43 H new ATOM 0 HG11 VAL A 432 104.355 8.589 3.708 1.00 0.45 H new ATOM 0 HG12 VAL A 432 103.247 7.335 3.100 1.00 0.45 H new ATOM 0 HG13 VAL A 432 104.135 7.077 4.621 1.00 0.45 H new ATOM 0 HG21 VAL A 432 106.822 8.202 3.667 1.00 0.51 H new ATOM 0 HG22 VAL A 432 106.602 6.690 4.578 1.00 0.51 H new ATOM 0 HG23 VAL A 432 107.474 6.675 3.027 1.00 0.51 H new ATOM 1805 N VAL A 433 102.789 4.670 2.605 1.00 0.44 N ATOM 1806 CA VAL A 433 101.523 4.327 1.899 1.00 0.45 C ATOM 1807 C VAL A 433 100.408 5.263 2.357 1.00 0.37 C ATOM 1808 O VAL A 433 100.197 5.453 3.541 1.00 0.37 O ATOM 1809 CB VAL A 433 101.211 2.892 2.321 1.00 0.56 C ATOM 1810 CG1 VAL A 433 100.057 2.351 1.475 1.00 0.59 C ATOM 1811 CG2 VAL A 433 102.450 2.017 2.118 1.00 1.08 C ATOM 0 H VAL A 433 102.762 4.558 3.618 1.00 0.44 H new ATOM 0 HA VAL A 433 101.610 4.425 0.817 1.00 0.45 H new ATOM 0 HB VAL A 433 100.927 2.877 3.373 1.00 0.56 H new ATOM 0 HG11 VAL A 433 99.834 1.327 1.776 1.00 0.59 H new ATOM 0 HG12 VAL A 433 99.174 2.973 1.623 1.00 0.59 H new ATOM 0 HG13 VAL A 433 100.339 2.367 0.422 1.00 0.59 H new ATOM 0 HG21 VAL A 433 102.226 0.994 2.419 1.00 1.08 H new ATOM 0 HG22 VAL A 433 102.737 2.031 1.067 1.00 1.08 H new ATOM 0 HG23 VAL A 433 103.271 2.402 2.723 1.00 1.08 H new ATOM 1821 N VAL A 434 99.626 5.761 1.441 1.00 0.43 N ATOM 1822 CA VAL A 434 98.454 6.582 1.844 1.00 0.43 C ATOM 1823 C VAL A 434 97.198 6.122 1.115 1.00 0.48 C ATOM 1824 O VAL A 434 97.245 5.660 -0.006 1.00 0.90 O ATOM 1825 CB VAL A 434 98.792 8.023 1.452 1.00 0.53 C ATOM 1826 CG1 VAL A 434 100.241 8.334 1.830 1.00 0.70 C ATOM 1827 CG2 VAL A 434 98.604 8.215 -0.056 1.00 0.49 C ATOM 0 H VAL A 434 99.747 5.635 0.436 1.00 0.43 H new ATOM 0 HA VAL A 434 98.258 6.490 2.912 1.00 0.43 H new ATOM 0 HB VAL A 434 98.124 8.700 1.984 1.00 0.53 H new ATOM 0 HG11 VAL A 434 100.478 9.360 1.550 1.00 0.70 H new ATOM 0 HG12 VAL A 434 100.371 8.213 2.905 1.00 0.70 H new ATOM 0 HG13 VAL A 434 100.909 7.651 1.305 1.00 0.70 H new ATOM 0 HG21 VAL A 434 98.847 9.243 -0.325 1.00 0.49 H new ATOM 0 HG22 VAL A 434 99.263 7.534 -0.594 1.00 0.49 H new ATOM 0 HG23 VAL A 434 97.568 8.005 -0.323 1.00 0.49 H new ATOM 1837 N GLU A 435 96.072 6.364 1.705 1.00 0.61 N ATOM 1838 CA GLU A 435 94.790 6.079 1.010 1.00 0.60 C ATOM 1839 C GLU A 435 94.251 7.373 0.416 1.00 0.62 C ATOM 1840 O GLU A 435 94.137 8.372 1.096 1.00 0.67 O ATOM 1841 CB GLU A 435 93.851 5.560 2.097 1.00 0.70 C ATOM 1842 CG GLU A 435 93.685 4.050 1.931 1.00 0.76 C ATOM 1843 CD GLU A 435 92.646 3.537 2.930 1.00 1.13 C ATOM 1844 OE1 GLU A 435 92.218 4.318 3.764 1.00 1.34 O ATOM 1845 OE2 GLU A 435 92.295 2.371 2.844 1.00 1.79 O ATOM 0 H GLU A 435 95.979 6.749 2.645 1.00 0.61 H new ATOM 0 HA GLU A 435 94.899 5.358 0.200 1.00 0.60 H new ATOM 0 HB2 GLU A 435 94.254 5.788 3.084 1.00 0.70 H new ATOM 0 HB3 GLU A 435 92.883 6.055 2.026 1.00 0.70 H new ATOM 0 HG2 GLU A 435 93.372 3.818 0.913 1.00 0.76 H new ATOM 0 HG3 GLU A 435 94.639 3.549 2.093 1.00 0.76 H new ATOM 1852 N GLY A 436 94.053 7.414 -0.865 1.00 0.61 N ATOM 1853 CA GLY A 436 93.684 8.711 -1.487 1.00 0.64 C ATOM 1854 C GLY A 436 94.760 9.744 -1.139 1.00 0.68 C ATOM 1855 O GLY A 436 95.860 9.706 -1.653 1.00 1.42 O ATOM 0 H GLY A 436 94.128 6.621 -1.502 1.00 0.61 H new ATOM 0 HA2 GLY A 436 93.600 8.602 -2.568 1.00 0.64 H new ATOM 0 HA3 GLY A 436 92.711 9.041 -1.124 1.00 0.64 H new ATOM 1859 N SER A 437 94.434 10.694 -0.305 1.00 0.84 N ATOM 1860 CA SER A 437 95.416 11.764 0.035 1.00 0.81 C ATOM 1861 C SER A 437 95.842 11.680 1.510 1.00 0.83 C ATOM 1862 O SER A 437 96.392 12.618 2.051 1.00 1.35 O ATOM 1863 CB SER A 437 94.669 13.069 -0.225 1.00 0.80 C ATOM 1864 OG SER A 437 93.817 13.350 0.878 1.00 1.42 O ATOM 0 H SER A 437 93.528 10.776 0.157 1.00 0.84 H new ATOM 0 HA SER A 437 96.329 11.677 -0.553 1.00 0.81 H new ATOM 0 HB2 SER A 437 95.378 13.885 -0.369 1.00 0.80 H new ATOM 0 HB3 SER A 437 94.083 12.990 -1.141 1.00 0.80 H new ATOM 0 HG SER A 437 93.337 14.189 0.715 1.00 1.42 H new ATOM 1870 N ARG A 438 95.554 10.595 2.182 1.00 0.53 N ATOM 1871 CA ARG A 438 95.907 10.511 3.630 1.00 0.62 C ATOM 1872 C ARG A 438 96.780 9.276 3.892 1.00 0.65 C ATOM 1873 O ARG A 438 96.610 8.244 3.275 1.00 0.69 O ATOM 1874 CB ARG A 438 94.566 10.391 4.351 1.00 0.78 C ATOM 1875 CG ARG A 438 94.033 8.967 4.204 1.00 1.34 C ATOM 1876 CD ARG A 438 92.550 8.939 4.567 1.00 1.53 C ATOM 1877 NE ARG A 438 92.173 7.498 4.541 1.00 2.25 N ATOM 1878 CZ ARG A 438 90.932 7.139 4.739 1.00 2.95 C ATOM 1879 NH1 ARG A 438 90.013 8.040 4.959 1.00 3.49 N ATOM 1880 NH2 ARG A 438 90.610 5.874 4.716 1.00 3.52 N ATOM 0 H ARG A 438 95.094 9.771 1.795 1.00 0.53 H new ATOM 0 HA ARG A 438 96.477 11.375 3.972 1.00 0.62 H new ATOM 0 HB2 ARG A 438 94.685 10.639 5.406 1.00 0.78 H new ATOM 0 HB3 ARG A 438 93.853 11.102 3.935 1.00 0.78 H new ATOM 0 HG2 ARG A 438 94.175 8.618 3.181 1.00 1.34 H new ATOM 0 HG3 ARG A 438 94.590 8.290 4.852 1.00 1.34 H new ATOM 0 HD2 ARG A 438 92.376 9.375 5.551 1.00 1.53 H new ATOM 0 HD3 ARG A 438 91.959 9.514 3.855 1.00 1.53 H new ATOM 0 HE ARG A 438 92.886 6.789 4.368 1.00 2.25 H new ATOM 0 HH11 ARG A 438 90.262 9.029 4.977 1.00 3.49 H new ATOM 0 HH12 ARG A 438 89.046 7.755 5.113 1.00 3.49 H new ATOM 0 HH21 ARG A 438 91.326 5.168 4.544 1.00 3.52 H new ATOM 0 HH22 ARG A 438 89.642 5.591 4.870 1.00 3.52 H new ATOM 1894 N VAL A 439 97.757 9.406 4.742 1.00 0.67 N ATOM 1895 CA VAL A 439 98.714 8.281 4.963 1.00 0.74 C ATOM 1896 C VAL A 439 98.134 7.246 5.928 1.00 0.93 C ATOM 1897 O VAL A 439 97.794 7.553 7.053 1.00 1.41 O ATOM 1898 CB VAL A 439 99.952 8.937 5.572 1.00 0.89 C ATOM 1899 CG1 VAL A 439 101.049 7.887 5.756 1.00 0.99 C ATOM 1900 CG2 VAL A 439 100.456 10.040 4.638 1.00 0.86 C ATOM 0 H VAL A 439 97.937 10.243 5.296 1.00 0.67 H new ATOM 0 HA VAL A 439 98.934 7.750 4.037 1.00 0.74 H new ATOM 0 HB VAL A 439 99.695 9.368 6.540 1.00 0.89 H new ATOM 0 HG11 VAL A 439 101.932 8.356 6.191 1.00 0.99 H new ATOM 0 HG12 VAL A 439 100.692 7.100 6.420 1.00 0.99 H new ATOM 0 HG13 VAL A 439 101.306 7.456 4.788 1.00 0.99 H new ATOM 0 HG21 VAL A 439 101.339 10.509 5.072 1.00 0.86 H new ATOM 0 HG22 VAL A 439 100.712 9.608 3.670 1.00 0.86 H new ATOM 0 HG23 VAL A 439 99.676 10.789 4.506 1.00 0.86 H new ATOM 1910 N LEU A 440 98.094 6.003 5.522 1.00 0.79 N ATOM 1911 CA LEU A 440 97.624 4.938 6.455 1.00 1.07 C ATOM 1912 C LEU A 440 98.796 4.400 7.285 1.00 0.74 C ATOM 1913 O LEU A 440 98.625 4.004 8.418 1.00 0.88 O ATOM 1914 CB LEU A 440 97.022 3.832 5.579 1.00 1.60 C ATOM 1915 CG LEU A 440 97.955 3.505 4.413 1.00 1.48 C ATOM 1916 CD1 LEU A 440 97.953 1.996 4.166 1.00 1.79 C ATOM 1917 CD2 LEU A 440 97.458 4.220 3.157 1.00 1.57 C ATOM 0 H LEU A 440 98.364 5.682 4.592 1.00 0.79 H new ATOM 0 HA LEU A 440 96.886 5.323 7.159 1.00 1.07 H new ATOM 0 HB2 LEU A 440 96.852 2.938 6.178 1.00 1.60 H new ATOM 0 HB3 LEU A 440 96.051 4.150 5.198 1.00 1.60 H new ATOM 0 HG LEU A 440 98.966 3.834 4.651 1.00 1.48 H new ATOM 0 HD11 LEU A 440 98.618 1.763 3.335 1.00 1.79 H new ATOM 0 HD12 LEU A 440 98.298 1.480 5.062 1.00 1.79 H new ATOM 0 HD13 LEU A 440 96.942 1.668 3.925 1.00 1.79 H new ATOM 0 HD21 LEU A 440 98.120 3.991 2.322 1.00 1.57 H new ATOM 0 HD22 LEU A 440 96.448 3.884 2.923 1.00 1.57 H new ATOM 0 HD23 LEU A 440 97.451 5.296 3.330 1.00 1.57 H new ATOM 1929 N GLY A 441 99.992 4.415 6.751 1.00 0.64 N ATOM 1930 CA GLY A 441 101.155 3.936 7.559 1.00 1.02 C ATOM 1931 C GLY A 441 102.424 3.876 6.703 1.00 0.82 C ATOM 1932 O GLY A 441 102.443 4.298 5.567 1.00 0.96 O ATOM 0 H GLY A 441 100.212 4.732 5.807 1.00 0.64 H new ATOM 0 HA2 GLY A 441 101.314 4.603 8.407 1.00 1.02 H new ATOM 0 HA3 GLY A 441 100.939 2.948 7.966 1.00 1.02 H new ATOM 1936 N VAL A 442 103.497 3.383 7.267 1.00 0.56 N ATOM 1937 CA VAL A 442 104.790 3.327 6.521 1.00 0.44 C ATOM 1938 C VAL A 442 105.283 1.876 6.436 1.00 0.41 C ATOM 1939 O VAL A 442 104.863 1.026 7.195 1.00 0.41 O ATOM 1940 CB VAL A 442 105.755 4.164 7.353 1.00 0.42 C ATOM 1941 CG1 VAL A 442 107.085 4.285 6.612 1.00 0.44 C ATOM 1942 CG2 VAL A 442 105.163 5.559 7.573 1.00 0.57 C ATOM 0 H VAL A 442 103.533 3.015 8.218 1.00 0.56 H new ATOM 0 HA VAL A 442 104.699 3.697 5.500 1.00 0.44 H new ATOM 0 HB VAL A 442 105.917 3.684 8.318 1.00 0.42 H new ATOM 0 HG11 VAL A 442 107.778 4.883 7.204 1.00 0.44 H new ATOM 0 HG12 VAL A 442 107.506 3.292 6.455 1.00 0.44 H new ATOM 0 HG13 VAL A 442 106.922 4.767 5.648 1.00 0.44 H new ATOM 0 HG21 VAL A 442 105.853 6.157 8.168 1.00 0.57 H new ATOM 0 HG22 VAL A 442 105.002 6.042 6.609 1.00 0.57 H new ATOM 0 HG23 VAL A 442 104.212 5.472 8.099 1.00 0.57 H new ATOM 1952 N ILE A 443 106.150 1.580 5.505 1.00 0.42 N ATOM 1953 CA ILE A 443 106.641 0.174 5.364 1.00 0.43 C ATOM 1954 C ILE A 443 108.169 0.123 5.400 1.00 0.44 C ATOM 1955 O ILE A 443 108.842 0.834 4.688 1.00 0.51 O ATOM 1956 CB ILE A 443 106.139 -0.297 4.000 1.00 0.47 C ATOM 1957 CG1 ILE A 443 104.652 0.040 3.851 1.00 0.51 C ATOM 1958 CG2 ILE A 443 106.329 -1.811 3.886 1.00 0.56 C ATOM 1959 CD1 ILE A 443 103.888 -0.450 5.081 1.00 1.05 C ATOM 0 H ILE A 443 106.539 2.246 4.838 1.00 0.42 H new ATOM 0 HA ILE A 443 106.281 -0.455 6.178 1.00 0.43 H new ATOM 0 HB ILE A 443 106.703 0.206 3.214 1.00 0.47 H new ATOM 0 HG12 ILE A 443 104.523 1.116 3.735 1.00 0.51 H new ATOM 0 HG13 ILE A 443 104.251 -0.428 2.952 1.00 0.51 H new ATOM 0 HG21 ILE A 443 105.972 -2.150 2.914 1.00 0.56 H new ATOM 0 HG22 ILE A 443 107.387 -2.054 3.989 1.00 0.56 H new ATOM 0 HG23 ILE A 443 105.764 -2.309 4.674 1.00 0.56 H new ATOM 0 HD11 ILE A 443 102.831 -0.209 4.972 1.00 1.05 H new ATOM 0 HD12 ILE A 443 104.006 -1.529 5.177 1.00 1.05 H new ATOM 0 HD13 ILE A 443 104.282 0.038 5.972 1.00 1.05 H new ATOM 1971 N ALA A 444 108.714 -0.721 6.224 1.00 0.40 N ATOM 1972 CA ALA A 444 110.197 -0.835 6.319 1.00 0.44 C ATOM 1973 C ALA A 444 110.682 -2.088 5.584 1.00 0.43 C ATOM 1974 O ALA A 444 110.267 -3.188 5.885 1.00 0.45 O ATOM 1975 CB ALA A 444 110.481 -0.961 7.816 1.00 0.46 C ATOM 0 H ALA A 444 108.194 -1.344 6.842 1.00 0.40 H new ATOM 0 HA ALA A 444 110.706 0.017 5.869 1.00 0.44 H new ATOM 0 HB1 ALA A 444 111.555 -1.050 7.976 1.00 0.46 H new ATOM 0 HB2 ALA A 444 110.109 -0.076 8.333 1.00 0.46 H new ATOM 0 HB3 ALA A 444 109.981 -1.847 8.208 1.00 0.46 H new ATOM 1981 N LEU A 445 111.530 -1.931 4.607 1.00 0.57 N ATOM 1982 CA LEU A 445 112.009 -3.118 3.840 1.00 0.63 C ATOM 1983 C LEU A 445 113.421 -3.498 4.292 1.00 0.75 C ATOM 1984 O LEU A 445 114.238 -2.641 4.565 1.00 0.92 O ATOM 1985 CB LEU A 445 112.030 -2.672 2.378 1.00 0.81 C ATOM 1986 CG LEU A 445 110.614 -2.688 1.794 1.00 1.23 C ATOM 1987 CD1 LEU A 445 109.651 -1.956 2.730 1.00 2.11 C ATOM 1988 CD2 LEU A 445 110.623 -1.991 0.432 1.00 1.91 C ATOM 0 H LEU A 445 111.913 -1.035 4.305 1.00 0.57 H new ATOM 0 HA LEU A 445 111.371 -3.988 3.993 1.00 0.63 H new ATOM 0 HB2 LEU A 445 112.450 -1.669 2.303 1.00 0.81 H new ATOM 0 HB3 LEU A 445 112.676 -3.332 1.799 1.00 0.81 H new ATOM 0 HG LEU A 445 110.285 -3.721 1.681 1.00 1.23 H new ATOM 0 HD11 LEU A 445 108.647 -1.973 2.305 1.00 2.11 H new ATOM 0 HD12 LEU A 445 109.642 -2.450 3.702 1.00 2.11 H new ATOM 0 HD13 LEU A 445 109.976 -0.923 2.851 1.00 2.11 H new ATOM 0 HD21 LEU A 445 109.617 -2.000 0.012 1.00 1.91 H new ATOM 0 HD22 LEU A 445 110.957 -0.960 0.553 1.00 1.91 H new ATOM 0 HD23 LEU A 445 111.302 -2.516 -0.241 1.00 1.91 H new ATOM 2000 N LYS A 446 113.740 -4.764 4.301 1.00 0.89 N ATOM 2001 CA LYS A 446 115.124 -5.179 4.656 1.00 1.15 C ATOM 2002 C LYS A 446 115.943 -5.394 3.386 1.00 1.27 C ATOM 2003 O LYS A 446 115.443 -5.881 2.393 1.00 1.87 O ATOM 2004 CB LYS A 446 114.948 -6.492 5.406 1.00 1.92 C ATOM 2005 CG LYS A 446 116.260 -6.885 6.077 1.00 2.25 C ATOM 2006 CD LYS A 446 116.076 -8.236 6.761 1.00 2.85 C ATOM 2007 CE LYS A 446 117.311 -8.560 7.603 1.00 3.64 C ATOM 2008 NZ LYS A 446 116.943 -8.168 8.993 1.00 4.48 N ATOM 0 H LYS A 446 113.101 -5.527 4.078 1.00 0.89 H new ATOM 0 HA LYS A 446 115.649 -4.432 5.252 1.00 1.15 H new ATOM 0 HB2 LYS A 446 114.162 -6.391 6.155 1.00 1.92 H new ATOM 0 HB3 LYS A 446 114.633 -7.275 4.717 1.00 1.92 H new ATOM 0 HG2 LYS A 446 117.060 -6.942 5.338 1.00 2.25 H new ATOM 0 HG3 LYS A 446 116.552 -6.129 6.806 1.00 2.25 H new ATOM 0 HD2 LYS A 446 115.188 -8.217 7.393 1.00 2.85 H new ATOM 0 HD3 LYS A 446 115.919 -9.014 6.014 1.00 2.85 H new ATOM 0 HE2 LYS A 446 117.562 -9.619 7.545 1.00 3.64 H new ATOM 0 HE3 LYS A 446 118.183 -8.006 7.254 1.00 3.64 H new ATOM 0 HZ1 LYS A 446 117.741 -8.361 9.631 1.00 4.48 H new ATOM 0 HZ2 LYS A 446 116.716 -7.153 9.019 1.00 4.48 H new ATOM 0 HZ3 LYS A 446 116.114 -8.716 9.300 1.00 4.48 H new ATOM 2022 N ASP A 447 117.193 -5.040 3.411 1.00 1.33 N ATOM 2023 CA ASP A 447 118.044 -5.232 2.202 1.00 2.04 C ATOM 2024 C ASP A 447 118.824 -6.546 2.303 1.00 1.83 C ATOM 2025 O ASP A 447 119.484 -6.813 3.287 1.00 2.21 O ATOM 2026 CB ASP A 447 118.996 -4.037 2.189 1.00 2.93 C ATOM 2027 CG ASP A 447 119.695 -3.918 3.545 1.00 3.02 C ATOM 2028 OD1 ASP A 447 119.453 -4.763 4.392 1.00 3.91 O ATOM 2029 OD2 ASP A 447 120.460 -2.983 3.715 1.00 2.75 O ATOM 0 H ASP A 447 117.666 -4.626 4.214 1.00 1.33 H new ATOM 0 HA ASP A 447 117.453 -5.288 1.288 1.00 2.04 H new ATOM 0 HB2 ASP A 447 119.736 -4.158 1.397 1.00 2.93 H new ATOM 0 HB3 ASP A 447 118.444 -3.123 1.972 1.00 2.93 H new ATOM 2034 N ILE A 448 118.771 -7.363 1.286 1.00 2.00 N ATOM 2035 CA ILE A 448 119.535 -8.645 1.332 1.00 2.26 C ATOM 2036 C ILE A 448 120.996 -8.350 1.644 1.00 2.39 C ATOM 2037 O ILE A 448 121.611 -8.973 2.485 1.00 2.75 O ATOM 2038 CB ILE A 448 119.420 -9.243 -0.075 1.00 2.53 C ATOM 2039 CG1 ILE A 448 117.951 -9.313 -0.527 1.00 3.34 C ATOM 2040 CG2 ILE A 448 120.016 -10.648 -0.074 1.00 2.71 C ATOM 2041 CD1 ILE A 448 117.037 -9.622 0.659 1.00 3.61 C ATOM 0 H ILE A 448 118.237 -7.202 0.432 1.00 2.00 H new ATOM 0 HA ILE A 448 119.153 -9.324 2.094 1.00 2.26 H new ATOM 0 HB ILE A 448 119.964 -8.603 -0.769 1.00 2.53 H new ATOM 0 HG12 ILE A 448 117.659 -8.366 -0.981 1.00 3.34 H new ATOM 0 HG13 ILE A 448 117.836 -10.082 -1.291 1.00 3.34 H new ATOM 0 HG21 ILE A 448 119.937 -11.078 -1.073 1.00 2.71 H new ATOM 0 HG22 ILE A 448 121.065 -10.598 0.217 1.00 2.71 H new ATOM 0 HG23 ILE A 448 119.472 -11.273 0.634 1.00 2.71 H new ATOM 0 HD11 ILE A 448 116.002 -9.667 0.319 1.00 3.61 H new ATOM 0 HD12 ILE A 448 117.318 -10.581 1.095 1.00 3.61 H new ATOM 0 HD13 ILE A 448 117.138 -8.838 1.410 1.00 3.61 H new ATOM 2053 N VAL A 449 121.555 -7.419 0.934 1.00 2.65 N ATOM 2054 CA VAL A 449 122.992 -7.078 1.133 1.00 3.38 C ATOM 2055 C VAL A 449 123.124 -5.779 1.933 1.00 3.99 C ATOM 2056 O VAL A 449 122.456 -4.801 1.661 1.00 4.70 O ATOM 2057 CB VAL A 449 123.548 -6.892 -0.278 1.00 4.18 C ATOM 2058 CG1 VAL A 449 125.052 -6.621 -0.202 1.00 5.09 C ATOM 2059 CG2 VAL A 449 123.301 -8.162 -1.095 1.00 4.27 C ATOM 0 H VAL A 449 121.078 -6.872 0.217 1.00 2.65 H new ATOM 0 HA VAL A 449 123.526 -7.848 1.689 1.00 3.38 H new ATOM 0 HB VAL A 449 123.050 -6.049 -0.756 1.00 4.18 H new ATOM 0 HG11 VAL A 449 125.449 -6.488 -1.208 1.00 5.09 H new ATOM 0 HG12 VAL A 449 125.230 -5.717 0.380 1.00 5.09 H new ATOM 0 HG13 VAL A 449 125.550 -7.464 0.276 1.00 5.09 H new ATOM 0 HG21 VAL A 449 123.697 -8.030 -2.102 1.00 4.27 H new ATOM 0 HG22 VAL A 449 123.799 -9.005 -0.617 1.00 4.27 H new ATOM 0 HG23 VAL A 449 122.230 -8.357 -1.150 1.00 4.27 H new ATOM 2069 N LYS A 450 124.011 -5.747 2.889 1.00 4.08 N ATOM 2070 CA LYS A 450 124.219 -4.495 3.671 1.00 5.12 C ATOM 2071 C LYS A 450 125.288 -3.626 3.001 1.00 5.65 C ATOM 2072 O LYS A 450 126.344 -4.099 2.632 1.00 6.68 O ATOM 2073 CB LYS A 450 124.691 -4.958 5.050 1.00 5.87 C ATOM 2074 CG LYS A 450 124.742 -3.761 6.000 1.00 5.93 C ATOM 2075 CD LYS A 450 125.279 -4.210 7.361 1.00 6.39 C ATOM 2076 CE LYS A 450 125.195 -3.048 8.353 1.00 6.77 C ATOM 2077 NZ LYS A 450 126.081 -3.442 9.483 1.00 7.50 N ATOM 0 H LYS A 450 124.601 -6.533 3.163 1.00 4.08 H new ATOM 0 HA LYS A 450 123.312 -3.893 3.734 1.00 5.12 H new ATOM 0 HB2 LYS A 450 124.015 -5.718 5.441 1.00 5.87 H new ATOM 0 HB3 LYS A 450 125.677 -5.417 4.974 1.00 5.87 H new ATOM 0 HG2 LYS A 450 125.380 -2.981 5.585 1.00 5.93 H new ATOM 0 HG3 LYS A 450 123.747 -3.331 6.114 1.00 5.93 H new ATOM 0 HD2 LYS A 450 124.702 -5.058 7.729 1.00 6.39 H new ATOM 0 HD3 LYS A 450 126.312 -4.545 7.264 1.00 6.39 H new ATOM 0 HE2 LYS A 450 125.527 -2.115 7.897 1.00 6.77 H new ATOM 0 HE3 LYS A 450 124.171 -2.891 8.691 1.00 6.77 H new ATOM 0 HZ1 LYS A 450 126.076 -2.694 10.205 1.00 7.50 H new ATOM 0 HZ2 LYS A 450 125.736 -4.330 9.901 1.00 7.50 H new ATOM 0 HZ3 LYS A 450 127.051 -3.578 9.133 1.00 7.50 H new ATOM 2091 N GLY A 451 125.020 -2.359 2.839 1.00 5.14 N ATOM 2092 CA GLY A 451 126.020 -1.463 2.191 1.00 5.92 C ATOM 2093 C GLY A 451 127.096 -1.079 3.207 1.00 6.73 C ATOM 2094 O GLY A 451 128.124 -1.736 3.229 1.00 7.01 O ATOM 2095 OXT GLY A 451 126.876 -0.132 3.945 1.00 7.30 O ATOM 0 H GLY A 451 124.153 -1.906 3.127 1.00 5.14 H new ATOM 0 HA2 GLY A 451 126.474 -1.965 1.337 1.00 5.92 H new ATOM 0 HA3 GLY A 451 125.529 -0.568 1.810 1.00 5.92 H new TER 2099 GLY A 451 HETATM 2100 PG ANP A1001 118.447 1.182 -11.106 1.00 0.00 P HETATM 2101 O1G ANP A1001 118.771 2.568 -11.602 1.00 0.00 O HETATM 2102 O2G ANP A1001 119.682 0.319 -11.063 1.00 0.00 O HETATM 2103 O3G ANP A1001 117.368 0.544 -11.941 1.00 0.00 O HETATM 2104 PB ANP A1001 116.611 0.388 -9.248 1.00 0.00 P HETATM 2105 O1B ANP A1001 115.706 0.363 -10.447 1.00 0.00 O HETATM 2106 O2B ANP A1001 117.112 -0.981 -8.889 1.00 0.00 O HETATM 2107 N3B ANP A1001 117.887 1.316 -9.601 1.00 0.00 N HETATM 2108 PA ANP A1001 114.718 2.194 -8.143 1.00 0.00 P HETATM 2109 O1A ANP A1001 115.249 3.535 -8.485 1.00 0.00 O HETATM 2110 O2A ANP A1001 113.717 1.631 -9.081 1.00 0.00 O HETATM 2111 O3A ANP A1001 115.951 1.155 -7.992 1.00 0.00 O HETATM 2112 O5' ANP A1001 114.089 2.233 -6.653 1.00 0.00 O HETATM 2113 C5' ANP A1001 112.695 1.961 -6.382 1.00 0.00 C HETATM 2114 C4' ANP A1001 112.227 2.790 -5.195 1.00 0.00 C HETATM 2115 O4' ANP A1001 110.780 2.973 -5.320 1.00 0.00 O HETATM 2116 C3' ANP A1001 112.484 1.871 -4.007 1.00 0.00 C HETATM 2117 O3' ANP A1001 113.741 2.130 -3.397 1.00 0.00 O HETATM 2118 C2' ANP A1001 111.355 2.221 -3.084 1.00 0.00 C HETATM 2119 O2' ANP A1001 111.661 3.353 -2.280 1.00 0.00 O HETATM 2120 C1' ANP A1001 110.227 2.527 -4.048 1.00 0.00 C HETATM 2121 N9 ANP A1001 109.431 1.286 -4.328 1.00 0.00 N HETATM 2122 C8 ANP A1001 109.927 0.044 -4.332 1.00 0.00 C HETATM 2123 N7 ANP A1001 108.967 -0.842 -4.609 1.00 0.00 N HETATM 2124 C5 ANP A1001 107.841 -0.168 -4.789 1.00 0.00 C HETATM 2125 C6 ANP A1001 106.490 -0.503 -5.087 1.00 0.00 C HETATM 2126 N6 ANP A1001 106.132 -1.770 -5.248 1.00 0.00 N HETATM 2127 N1 ANP A1001 105.546 0.492 -5.197 1.00 0.00 N HETATM 2128 C2 ANP A1001 105.841 1.818 -5.030 1.00 0.00 C HETATM 2129 N3 ANP A1001 107.133 2.157 -4.751 1.00 0.00 N HETATM 2130 C4 ANP A1001 108.134 1.206 -4.615 1.00 0.00 C HETATM 0 HO3' ANP A1001 113.741 1.773 -2.484 1.00 0.00 H new HETATM 0 HO2' ANP A1001 112.633 3.440 -2.194 1.00 0.00 H new HETATM 0 HNB1 ANP A1001 118.309 1.944 -8.917 1.00 0.00 H new HETATM 0 HN62 ANP A1001 105.162 -2.003 -5.461 1.00 0.00 H new HETATM 0 HN61 ANP A1001 106.827 -2.512 -5.158 1.00 0.00 H new HETATM 0 H5'2 ANP A1001 112.093 2.194 -7.260 1.00 0.00 H new HETATM 0 H5'1 ANP A1001 112.556 0.900 -6.173 1.00 0.00 H new HETATM 0 H8 ANP A1001 110.969 -0.210 -4.137 1.00 0.00 H new HETATM 0 H4' ANP A1001 112.714 3.762 -5.113 1.00 0.00 H new HETATM 0 H3' ANP A1001 112.522 0.817 -4.281 1.00 0.00 H new HETATM 0 H2' ANP A1001 111.123 1.428 -2.373 1.00 0.00 H new HETATM 0 H2 ANP A1001 105.067 2.580 -5.117 1.00 0.00 H new HETATM 0 H1' ANP A1001 109.597 3.294 -3.599 1.00 0.00 H new