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 Set 1.1: A 404 HIS :FLIP no HD1:sc= -1.81 F(o=-3.6!,f=-2.9) USER MOD Set 1.2: A 408 ASN : amide:sc= -1.09 X(o=-2.9,f=-3!) USER MOD Set 2.1: A 381 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 383 MET CE :methyl 146:sc= -4.99! (180deg=-7.33!) USER MOD Single : A 316 ASN :FLIP amide:sc= -1.57! F(o=-2.3,f=-1.6!) USER MOD Single : A 318 GLN : amide:sc= -0.0271 K(o=-0.027,f=-0.91) USER MOD Single : A 320 SER OG : rot -150:sc= -0.049 USER MOD Single : A 326 GLN : amide:sc= 0.453 K(o=0.45,f=-0.95) USER MOD Single : A 331 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 332 THR OG1 : rot -170:sc= -0.237 USER MOD Single : A 338 GLN : amide:sc= -18! C(o=-18!,f=-34!) USER MOD Single : A 341 SER OG : rot -8:sc= -4.23! USER MOD Single : A 346 THR OG1 : rot 140:sc= -0.66 USER MOD Single : A 351 SER OG : rot -176:sc= -0.305 USER MOD Single : A 357 LYS NZ :NH3+ -134:sc= 0.521 (180deg=0) USER MOD Single : A 358 GLN : amide:sc= -0.704 X(o=-0.7,f=-0.8) USER MOD Single : A 361 ASN : amide:sc= -0.12 K(o=-0.12,f=-2.6!) USER MOD Single : A 368 GLN : amide:sc=-0.00189 K(o=-0.0019,f=-1.6!) USER MOD Single : A 369 SER OG : rot -145:sc= 0.11 USER MOD Single : A 371 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.085) 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 384 SER OG : rot -138:sc= 1.26 USER MOD Single : A 387 ASN :FLIP amide:sc= -3.17 F(o=-5.5!,f=-3.2) USER MOD Single : A 390 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.11) USER MOD Single : A 392 MET CE :methyl 130:sc= -0.132 (180deg=-0.982) USER MOD Single : A 395 LYS NZ :NH3+ 177:sc= -11.3! (180deg=-11.4!) USER MOD Single : A 397 SER OG : rot -150:sc=-0.00838 USER MOD Single : A 411 HIS : no HD1:sc= -0.538 X(o=-0.54,f=-0.59) USER MOD Single : A 414 THR OG1 : rot 180:sc= 0 USER MOD Single : A 418 GLN : amide:sc= -0.322 X(o=-0.32,f=-0.46) USER MOD Single : A 419 LYS NZ :NH3+ -169:sc= 0.568 (180deg=0.395) USER MOD Single : A 422 GLN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 426 GLN : amide:sc= -0.068 X(o=-0.068,f=-0.55) USER MOD Single : A 429 THR OG1 : rot 180: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 -12:sc= -3.93! USER MOD Single : A1001 ANP O3' : rot -59:sc= 0.629 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 316 116.613 -9.302 -3.298 1.00 4.45 N ATOM 2 CA ASN A 316 117.214 -8.097 -2.658 1.00 3.89 C ATOM 3 C ASN A 316 116.181 -7.382 -1.789 1.00 2.72 C ATOM 4 O ASN A 316 115.258 -7.985 -1.280 1.00 2.74 O ATOM 5 CB ASN A 316 117.654 -7.202 -3.816 1.00 4.56 C ATOM 6 CG ASN A 316 116.426 -6.555 -4.460 1.00 5.35 C ATOM 7 OD1 ASN A 316 116.564 -5.432 -5.108 1.00 5.50 O flip ATOM 8 ND2 ASN A 316 115.332 -7.075 -4.368 1.00 6.08 N flip ATOM 0 HA ASN A 316 118.048 -8.356 -2.006 1.00 3.89 H new ATOM 0 HB2 ASN A 316 118.336 -6.432 -3.455 1.00 4.56 H new ATOM 0 HB3 ASN A 316 118.199 -7.789 -4.556 1.00 4.56 H new ATOM 0 HD21 ASN A 316 115.226 -7.954 -3.861 1.00 6.08 H new ATOM 0 HD22 ASN A 316 114.519 -6.633 -4.798 1.00 6.08 H new ATOM 15 N ARG A 317 116.414 -6.128 -1.524 1.00 2.20 N ATOM 16 CA ARG A 317 115.541 -5.372 -0.575 1.00 1.30 C ATOM 17 C ARG A 317 114.076 -5.790 -0.727 1.00 1.48 C ATOM 18 O ARG A 317 113.568 -5.944 -1.820 1.00 1.26 O ATOM 19 CB ARG A 317 115.721 -3.904 -0.961 1.00 1.52 C ATOM 20 CG ARG A 317 115.169 -3.674 -2.369 1.00 2.49 C ATOM 21 CD ARG A 317 115.585 -2.285 -2.859 1.00 3.27 C ATOM 22 NE ARG A 317 114.909 -2.124 -4.177 1.00 4.34 N ATOM 23 CZ ARG A 317 115.351 -1.247 -5.039 1.00 5.21 C ATOM 24 NH1 ARG A 317 116.382 -0.499 -4.749 1.00 5.83 N ATOM 25 NH2 ARG A 317 114.758 -1.118 -6.194 1.00 5.72 N ATOM 0 H ARG A 317 117.179 -5.586 -1.927 1.00 2.20 H new ATOM 0 HA ARG A 317 115.810 -5.563 0.464 1.00 1.30 H new ATOM 0 HB2 ARG A 317 115.203 -3.263 -0.247 1.00 1.52 H new ATOM 0 HB3 ARG A 317 116.776 -3.634 -0.924 1.00 1.52 H new ATOM 0 HG2 ARG A 317 115.545 -4.439 -3.048 1.00 2.49 H new ATOM 0 HG3 ARG A 317 114.082 -3.759 -2.364 1.00 2.49 H new ATOM 0 HD2 ARG A 317 115.274 -1.510 -2.159 1.00 3.27 H new ATOM 0 HD3 ARG A 317 116.668 -2.209 -2.959 1.00 3.27 H new ATOM 0 HE ARG A 317 114.099 -2.700 -4.407 1.00 4.34 H new ATOM 0 HH11 ARG A 317 116.846 -0.598 -3.846 1.00 5.83 H new ATOM 0 HH12 ARG A 317 116.723 0.184 -5.426 1.00 5.83 H new ATOM 0 HH21 ARG A 317 113.952 -1.701 -6.421 1.00 5.72 H new ATOM 0 HH22 ARG A 317 115.100 -0.435 -6.869 1.00 5.72 H new ATOM 39 N GLN A 318 113.407 -6.006 0.372 1.00 2.19 N ATOM 40 CA GLN A 318 111.985 -6.450 0.321 1.00 2.64 C ATOM 41 C GLN A 318 111.231 -5.891 1.528 1.00 2.16 C ATOM 42 O GLN A 318 111.808 -5.658 2.567 1.00 2.69 O ATOM 43 CB GLN A 318 112.055 -7.975 0.401 1.00 3.37 C ATOM 44 CG GLN A 318 112.550 -8.392 1.787 1.00 4.16 C ATOM 45 CD GLN A 318 112.877 -9.886 1.786 1.00 4.79 C ATOM 46 OE1 GLN A 318 113.438 -10.396 0.835 1.00 4.85 O ATOM 47 NE2 GLN A 318 112.550 -10.614 2.818 1.00 5.58 N ATOM 0 H GLN A 318 113.788 -5.893 1.311 1.00 2.19 H new ATOM 0 HA GLN A 318 111.467 -6.108 -0.575 1.00 2.64 H new ATOM 0 HB2 GLN A 318 111.072 -8.405 0.210 1.00 3.37 H new ATOM 0 HB3 GLN A 318 112.726 -8.359 -0.367 1.00 3.37 H new ATOM 0 HG2 GLN A 318 113.435 -7.816 2.057 1.00 4.16 H new ATOM 0 HG3 GLN A 318 111.788 -8.176 2.536 1.00 4.16 H new ATOM 0 HE21 GLN A 318 112.080 -10.186 3.615 1.00 5.58 H new ATOM 0 HE22 GLN A 318 112.765 -11.611 2.827 1.00 5.58 H new ATOM 56 N ALA A 319 109.939 -5.745 1.435 1.00 1.32 N ATOM 57 CA ALA A 319 109.178 -5.281 2.627 1.00 1.05 C ATOM 58 C ALA A 319 109.172 -6.372 3.691 1.00 0.89 C ATOM 59 O ALA A 319 108.743 -7.483 3.449 1.00 1.18 O ATOM 60 CB ALA A 319 107.762 -5.028 2.132 1.00 1.42 C ATOM 0 H ALA A 319 109.384 -5.924 0.598 1.00 1.32 H new ATOM 0 HA ALA A 319 109.617 -4.388 3.071 1.00 1.05 H new ATOM 0 HB1 ALA A 319 107.143 -4.682 2.960 1.00 1.42 H new ATOM 0 HB2 ALA A 319 107.780 -4.268 1.351 1.00 1.42 H new ATOM 0 HB3 ALA A 319 107.347 -5.952 1.730 1.00 1.42 H new ATOM 66 N SER A 320 109.576 -6.052 4.884 1.00 0.59 N ATOM 67 CA SER A 320 109.512 -7.066 5.968 1.00 0.64 C ATOM 68 C SER A 320 108.444 -6.686 6.995 1.00 0.49 C ATOM 69 O SER A 320 107.752 -7.533 7.526 1.00 0.50 O ATOM 70 CB SER A 320 110.902 -7.065 6.604 1.00 0.78 C ATOM 71 OG SER A 320 111.725 -8.012 5.936 1.00 1.60 O ATOM 0 H SER A 320 109.945 -5.141 5.155 1.00 0.59 H new ATOM 0 HA SER A 320 109.243 -8.052 5.589 1.00 0.64 H new ATOM 0 HB2 SER A 320 111.344 -6.071 6.538 1.00 0.78 H new ATOM 0 HB3 SER A 320 110.830 -7.312 7.663 1.00 0.78 H new ATOM 0 HG SER A 320 112.389 -8.368 6.563 1.00 1.60 H new ATOM 77 N GLU A 321 108.317 -5.424 7.304 1.00 0.45 N ATOM 78 CA GLU A 321 107.308 -5.010 8.322 1.00 0.44 C ATOM 79 C GLU A 321 106.613 -3.716 7.900 1.00 0.37 C ATOM 80 O GLU A 321 107.232 -2.802 7.408 1.00 0.35 O ATOM 81 CB GLU A 321 108.104 -4.789 9.602 1.00 0.59 C ATOM 82 CG GLU A 321 107.155 -4.353 10.719 1.00 0.73 C ATOM 83 CD GLU A 321 107.961 -4.035 11.979 1.00 1.02 C ATOM 84 OE1 GLU A 321 109.175 -4.133 11.923 1.00 1.30 O ATOM 85 OE2 GLU A 321 107.349 -3.699 12.980 1.00 1.82 O ATOM 0 H GLU A 321 108.865 -4.665 6.898 1.00 0.45 H new ATOM 0 HA GLU A 321 106.527 -5.760 8.446 1.00 0.44 H new ATOM 0 HB2 GLU A 321 108.621 -5.706 9.885 1.00 0.59 H new ATOM 0 HB3 GLU A 321 108.869 -4.029 9.442 1.00 0.59 H new ATOM 0 HG2 GLU A 321 106.587 -3.476 10.407 1.00 0.73 H new ATOM 0 HG3 GLU A 321 106.433 -5.143 10.926 1.00 0.73 H new ATOM 92 N PHE A 322 105.355 -3.589 8.209 1.00 0.40 N ATOM 93 CA PHE A 322 104.651 -2.297 7.957 1.00 0.37 C ATOM 94 C PHE A 322 104.170 -1.690 9.275 1.00 0.38 C ATOM 95 O PHE A 322 103.769 -2.390 10.185 1.00 0.42 O ATOM 96 CB PHE A 322 103.467 -2.646 7.049 1.00 0.41 C ATOM 97 CG PHE A 322 102.812 -3.923 7.522 1.00 0.52 C ATOM 98 CD1 PHE A 322 103.335 -5.162 7.129 1.00 0.94 C ATOM 99 CD2 PHE A 322 101.683 -3.871 8.352 1.00 0.67 C ATOM 100 CE1 PHE A 322 102.732 -6.349 7.563 1.00 1.14 C ATOM 101 CE2 PHE A 322 101.078 -5.059 8.787 1.00 0.87 C ATOM 102 CZ PHE A 322 101.603 -6.299 8.393 1.00 1.00 C ATOM 0 H PHE A 322 104.781 -4.322 8.625 1.00 0.40 H new ATOM 0 HA PHE A 322 105.304 -1.559 7.492 1.00 0.37 H new ATOM 0 HB2 PHE A 322 102.742 -1.832 7.054 1.00 0.41 H new ATOM 0 HB3 PHE A 322 103.809 -2.762 6.020 1.00 0.41 H new ATOM 0 HD1 PHE A 322 104.205 -5.202 6.490 1.00 0.94 H new ATOM 0 HD2 PHE A 322 101.280 -2.916 8.656 1.00 0.67 H new ATOM 0 HE1 PHE A 322 103.137 -7.303 7.258 1.00 1.14 H new ATOM 0 HE2 PHE A 322 100.208 -5.019 9.425 1.00 0.87 H new ATOM 0 HZ PHE A 322 101.138 -7.214 8.729 1.00 1.00 H new ATOM 112 N ILE A 323 104.158 -0.388 9.364 1.00 0.37 N ATOM 113 CA ILE A 323 103.646 0.269 10.603 1.00 0.41 C ATOM 114 C ILE A 323 102.608 1.338 10.249 1.00 0.43 C ATOM 115 O ILE A 323 102.796 2.100 9.322 1.00 0.53 O ATOM 116 CB ILE A 323 104.860 0.917 11.263 1.00 0.44 C ATOM 117 CG1 ILE A 323 106.061 -0.029 11.188 1.00 0.46 C ATOM 118 CG2 ILE A 323 104.532 1.206 12.727 1.00 0.48 C ATOM 119 CD1 ILE A 323 105.730 -1.332 11.916 1.00 0.52 C ATOM 0 H ILE A 323 104.479 0.249 8.635 1.00 0.37 H new ATOM 0 HA ILE A 323 103.161 -0.449 11.264 1.00 0.41 H new ATOM 0 HB ILE A 323 105.105 1.844 10.745 1.00 0.44 H new ATOM 0 HG12 ILE A 323 106.311 -0.235 10.147 1.00 0.46 H new ATOM 0 HG13 ILE A 323 106.936 0.440 11.639 1.00 0.46 H new ATOM 0 HG21 ILE A 323 105.393 1.669 13.208 1.00 0.48 H new ATOM 0 HG22 ILE A 323 103.678 1.882 12.782 1.00 0.48 H new ATOM 0 HG23 ILE A 323 104.290 0.273 13.237 1.00 0.48 H new ATOM 0 HD11 ILE A 323 106.585 -2.006 11.863 1.00 0.52 H new ATOM 0 HD12 ILE A 323 105.501 -1.118 12.960 1.00 0.52 H new ATOM 0 HD13 ILE A 323 104.867 -1.803 11.445 1.00 0.52 H new ATOM 131 N PRO A 324 101.517 1.314 10.967 1.00 0.36 N ATOM 132 CA PRO A 324 100.397 2.242 10.682 1.00 0.40 C ATOM 133 C PRO A 324 100.825 3.696 10.859 1.00 0.64 C ATOM 134 O PRO A 324 101.696 4.010 11.646 1.00 1.44 O ATOM 135 CB PRO A 324 99.328 1.888 11.710 1.00 0.33 C ATOM 136 CG PRO A 324 99.760 0.610 12.354 1.00 0.30 C ATOM 137 CD PRO A 324 101.233 0.432 12.100 1.00 0.29 C ATOM 0 HA PRO A 324 100.047 2.143 9.655 1.00 0.40 H new ATOM 0 HB2 PRO A 324 99.226 2.680 12.452 1.00 0.33 H new ATOM 0 HB3 PRO A 324 98.355 1.772 11.233 1.00 0.33 H new ATOM 0 HG2 PRO A 324 99.559 0.637 13.425 1.00 0.30 H new ATOM 0 HG3 PRO A 324 99.199 -0.231 11.945 1.00 0.30 H new ATOM 0 HD2 PRO A 324 101.823 0.706 12.975 1.00 0.29 H new ATOM 0 HD3 PRO A 324 101.473 -0.605 11.866 1.00 0.29 H new ATOM 145 N ALA A 325 100.108 4.594 10.245 1.00 0.75 N ATOM 146 CA ALA A 325 100.345 6.040 10.497 1.00 0.98 C ATOM 147 C ALA A 325 99.693 6.443 11.818 1.00 0.81 C ATOM 148 O ALA A 325 99.338 5.608 12.626 1.00 1.11 O ATOM 149 CB ALA A 325 99.676 6.760 9.327 1.00 1.58 C ATOM 0 H ALA A 325 99.365 4.387 9.577 1.00 0.75 H new ATOM 0 HA ALA A 325 101.404 6.286 10.570 1.00 0.98 H new ATOM 0 HB1 ALA A 325 99.807 7.836 9.439 1.00 1.58 H new ATOM 0 HB2 ALA A 325 100.131 6.435 8.391 1.00 1.58 H new ATOM 0 HB3 ALA A 325 98.612 6.523 9.314 1.00 1.58 H new ATOM 155 N GLN A 326 99.568 7.713 12.060 1.00 0.91 N ATOM 156 CA GLN A 326 98.978 8.167 13.350 1.00 1.48 C ATOM 157 C GLN A 326 97.525 7.687 13.471 1.00 1.32 C ATOM 158 O GLN A 326 96.617 8.295 12.939 1.00 1.83 O ATOM 159 CB GLN A 326 99.037 9.694 13.287 1.00 2.25 C ATOM 160 CG GLN A 326 98.627 10.278 14.641 1.00 3.14 C ATOM 161 CD GLN A 326 98.573 11.803 14.545 1.00 3.55 C ATOM 162 OE1 GLN A 326 97.814 12.349 13.768 1.00 4.00 O ATOM 163 NE2 GLN A 326 99.352 12.521 15.308 1.00 3.92 N ATOM 0 H GLN A 326 99.848 8.459 11.423 1.00 0.91 H new ATOM 0 HA GLN A 326 99.512 7.770 14.214 1.00 1.48 H new ATOM 0 HB2 GLN A 326 100.045 10.019 13.029 1.00 2.25 H new ATOM 0 HB3 GLN A 326 98.373 10.062 12.504 1.00 2.25 H new ATOM 0 HG2 GLN A 326 97.654 9.887 14.938 1.00 3.14 H new ATOM 0 HG3 GLN A 326 99.339 9.977 15.409 1.00 3.14 H new ATOM 0 HE21 GLN A 326 99.989 12.064 15.960 1.00 3.92 H new ATOM 0 HE22 GLN A 326 99.323 13.539 15.252 1.00 3.92 H new ATOM 172 N GLY A 327 97.289 6.660 14.246 1.00 1.28 N ATOM 173 CA GLY A 327 95.884 6.216 14.493 1.00 1.48 C ATOM 174 C GLY A 327 95.488 5.115 13.502 1.00 1.24 C ATOM 175 O GLY A 327 94.320 4.867 13.278 1.00 1.52 O ATOM 0 H GLY A 327 98.007 6.110 14.718 1.00 1.28 H new ATOM 0 HA2 GLY A 327 95.787 5.847 15.514 1.00 1.48 H new ATOM 0 HA3 GLY A 327 95.206 7.064 14.395 1.00 1.48 H new ATOM 179 N VAL A 328 96.440 4.498 12.857 1.00 0.93 N ATOM 180 CA VAL A 328 96.099 3.472 11.826 1.00 1.03 C ATOM 181 C VAL A 328 96.363 2.056 12.356 1.00 1.06 C ATOM 182 O VAL A 328 97.230 1.843 13.180 1.00 1.71 O ATOM 183 CB VAL A 328 97.015 3.781 10.642 1.00 1.43 C ATOM 184 CG1 VAL A 328 96.726 2.797 9.507 1.00 1.73 C ATOM 185 CG2 VAL A 328 96.752 5.208 10.156 1.00 1.57 C ATOM 0 H VAL A 328 97.438 4.658 12.998 1.00 0.93 H new ATOM 0 HA VAL A 328 95.045 3.508 11.551 1.00 1.03 H new ATOM 0 HB VAL A 328 98.056 3.687 10.951 1.00 1.43 H new ATOM 0 HG11 VAL A 328 97.378 3.015 8.661 1.00 1.73 H new ATOM 0 HG12 VAL A 328 96.908 1.779 9.852 1.00 1.73 H new ATOM 0 HG13 VAL A 328 95.685 2.894 9.197 1.00 1.73 H new ATOM 0 HG21 VAL A 328 97.404 5.431 9.312 1.00 1.57 H new ATOM 0 HG22 VAL A 328 95.711 5.301 9.845 1.00 1.57 H new ATOM 0 HG23 VAL A 328 96.953 5.911 10.965 1.00 1.57 H new ATOM 195 N ASP A 329 95.637 1.083 11.869 1.00 1.16 N ATOM 196 CA ASP A 329 95.865 -0.326 12.317 1.00 1.20 C ATOM 197 C ASP A 329 96.945 -0.995 11.454 1.00 1.16 C ATOM 198 O ASP A 329 97.089 -0.698 10.285 1.00 1.39 O ATOM 199 CB ASP A 329 94.519 -1.025 12.126 1.00 1.44 C ATOM 200 CG ASP A 329 93.489 -0.423 13.085 1.00 1.37 C ATOM 201 OD1 ASP A 329 93.896 0.291 13.987 1.00 1.69 O ATOM 202 OD2 ASP A 329 92.313 -0.686 12.901 1.00 2.02 O ATOM 0 H ASP A 329 94.895 1.202 11.179 1.00 1.16 H new ATOM 0 HA ASP A 329 96.210 -0.377 13.350 1.00 1.20 H new ATOM 0 HB2 ASP A 329 94.182 -0.912 11.096 1.00 1.44 H new ATOM 0 HB3 ASP A 329 94.623 -2.094 12.312 1.00 1.44 H new ATOM 207 N GLU A 330 97.761 -1.831 12.045 1.00 1.13 N ATOM 208 CA GLU A 330 98.896 -2.441 11.283 1.00 1.11 C ATOM 209 C GLU A 330 98.376 -3.378 10.189 1.00 0.97 C ATOM 210 O GLU A 330 98.870 -3.384 9.079 1.00 0.91 O ATOM 211 CB GLU A 330 99.685 -3.231 12.329 1.00 1.28 C ATOM 212 CG GLU A 330 98.912 -4.496 12.710 1.00 1.68 C ATOM 213 CD GLU A 330 99.649 -5.225 13.834 1.00 2.07 C ATOM 214 OE1 GLU A 330 100.025 -4.571 14.792 1.00 2.70 O ATOM 215 OE2 GLU A 330 99.825 -6.427 13.717 1.00 2.49 O ATOM 0 H GLU A 330 97.691 -2.118 13.021 1.00 1.13 H new ATOM 0 HA GLU A 330 99.505 -1.688 10.783 1.00 1.11 H new ATOM 0 HB2 GLU A 330 100.666 -3.497 11.934 1.00 1.28 H new ATOM 0 HB3 GLU A 330 99.853 -2.616 13.213 1.00 1.28 H new ATOM 0 HG2 GLU A 330 97.903 -4.236 13.031 1.00 1.68 H new ATOM 0 HG3 GLU A 330 98.812 -5.149 11.843 1.00 1.68 H new ATOM 222 N LYS A 331 97.376 -4.162 10.484 1.00 0.98 N ATOM 223 CA LYS A 331 96.831 -5.084 9.446 1.00 0.92 C ATOM 224 C LYS A 331 96.286 -4.283 8.262 1.00 0.81 C ATOM 225 O LYS A 331 96.523 -4.607 7.117 1.00 0.80 O ATOM 226 CB LYS A 331 95.706 -5.849 10.143 1.00 1.02 C ATOM 227 CG LYS A 331 95.204 -6.960 9.220 1.00 1.49 C ATOM 228 CD LYS A 331 94.049 -7.703 9.894 1.00 2.27 C ATOM 229 CE LYS A 331 93.658 -8.916 9.046 1.00 2.60 C ATOM 230 NZ LYS A 331 92.674 -8.395 8.059 1.00 3.03 N ATOM 0 H LYS A 331 96.915 -4.205 11.393 1.00 0.98 H new ATOM 0 HA LYS A 331 97.592 -5.756 9.050 1.00 0.92 H new ATOM 0 HB2 LYS A 331 96.066 -6.274 11.080 1.00 1.02 H new ATOM 0 HB3 LYS A 331 94.890 -5.171 10.393 1.00 1.02 H new ATOM 0 HG2 LYS A 331 94.874 -6.537 8.271 1.00 1.49 H new ATOM 0 HG3 LYS A 331 96.014 -7.654 8.995 1.00 1.49 H new ATOM 0 HD2 LYS A 331 94.343 -8.024 10.893 1.00 2.27 H new ATOM 0 HD3 LYS A 331 93.194 -7.037 10.012 1.00 2.27 H new ATOM 0 HE2 LYS A 331 94.527 -9.346 8.548 1.00 2.60 H new ATOM 0 HE3 LYS A 331 93.221 -9.703 9.661 1.00 2.60 H new ATOM 0 HZ1 LYS A 331 92.359 -9.170 7.441 1.00 3.03 H new ATOM 0 HZ2 LYS A 331 91.855 -7.998 8.562 1.00 3.03 H new ATOM 0 HZ3 LYS A 331 93.120 -7.652 7.483 1.00 3.03 H new ATOM 244 N THR A 332 95.588 -3.218 8.530 1.00 0.78 N ATOM 245 CA THR A 332 95.063 -2.376 7.419 1.00 0.74 C ATOM 246 C THR A 332 96.214 -1.871 6.548 1.00 0.65 C ATOM 247 O THR A 332 96.149 -1.896 5.335 1.00 0.66 O ATOM 248 CB THR A 332 94.367 -1.204 8.110 1.00 0.77 C ATOM 249 OG1 THR A 332 93.354 -1.698 8.973 1.00 0.90 O ATOM 250 CG2 THR A 332 93.746 -0.285 7.058 1.00 0.82 C ATOM 0 H THR A 332 95.358 -2.893 9.469 1.00 0.78 H new ATOM 0 HA THR A 332 94.388 -2.929 6.766 1.00 0.74 H new ATOM 0 HB THR A 332 95.095 -0.641 8.694 1.00 0.77 H new ATOM 0 HG1 THR A 332 92.805 -0.952 9.294 1.00 0.90 H new ATOM 0 HG21 THR A 332 93.250 0.550 7.552 1.00 0.82 H new ATOM 0 HG22 THR A 332 94.527 0.095 6.400 1.00 0.82 H new ATOM 0 HG23 THR A 332 93.017 -0.844 6.471 1.00 0.82 H new ATOM 258 N LEU A 333 97.260 -1.388 7.157 1.00 0.59 N ATOM 259 CA LEU A 333 98.400 -0.852 6.362 1.00 0.57 C ATOM 260 C LEU A 333 98.987 -1.931 5.448 1.00 0.58 C ATOM 261 O LEU A 333 99.247 -1.699 4.284 1.00 0.54 O ATOM 262 CB LEU A 333 99.430 -0.416 7.400 1.00 0.68 C ATOM 263 CG LEU A 333 100.783 -0.215 6.718 1.00 0.64 C ATOM 264 CD1 LEU A 333 100.629 0.758 5.548 1.00 0.93 C ATOM 265 CD2 LEU A 333 101.773 0.358 7.728 1.00 0.87 C ATOM 0 H LEU A 333 97.375 -1.341 8.169 1.00 0.59 H new ATOM 0 HA LEU A 333 98.092 -0.033 5.713 1.00 0.57 H new ATOM 0 HB2 LEU A 333 99.111 0.509 7.879 1.00 0.68 H new ATOM 0 HB3 LEU A 333 99.514 -1.169 8.184 1.00 0.68 H new ATOM 0 HG LEU A 333 101.149 -1.171 6.345 1.00 0.64 H new ATOM 0 HD11 LEU A 333 101.595 0.900 5.063 1.00 0.93 H new ATOM 0 HD12 LEU A 333 99.918 0.352 4.828 1.00 0.93 H new ATOM 0 HD13 LEU A 333 100.264 1.716 5.917 1.00 0.93 H new ATOM 0 HD21 LEU A 333 102.740 0.504 7.247 1.00 0.87 H new ATOM 0 HD22 LEU A 333 101.404 1.315 8.097 1.00 0.87 H new ATOM 0 HD23 LEU A 333 101.883 -0.335 8.562 1.00 0.87 H new ATOM 277 N ALA A 334 99.203 -3.104 5.964 1.00 0.66 N ATOM 278 CA ALA A 334 99.781 -4.185 5.119 1.00 0.73 C ATOM 279 C ALA A 334 98.843 -4.488 3.952 1.00 0.68 C ATOM 280 O ALA A 334 99.262 -4.778 2.852 1.00 0.66 O ATOM 281 CB ALA A 334 99.894 -5.393 6.048 1.00 0.87 C ATOM 0 H ALA A 334 99.006 -3.363 6.931 1.00 0.66 H new ATOM 0 HA ALA A 334 100.746 -3.912 4.691 1.00 0.73 H new ATOM 0 HB1 ALA A 334 100.313 -6.236 5.499 1.00 0.87 H new ATOM 0 HB2 ALA A 334 100.544 -5.147 6.887 1.00 0.87 H new ATOM 0 HB3 ALA A 334 98.905 -5.659 6.421 1.00 0.87 H new ATOM 287 N ASP A 335 97.571 -4.435 4.188 1.00 0.67 N ATOM 288 CA ASP A 335 96.603 -4.743 3.101 1.00 0.65 C ATOM 289 C ASP A 335 96.696 -3.717 1.967 1.00 0.62 C ATOM 290 O ASP A 335 96.710 -4.064 0.802 1.00 0.69 O ATOM 291 CB ASP A 335 95.242 -4.653 3.768 1.00 0.67 C ATOM 292 CG ASP A 335 94.160 -5.135 2.800 1.00 1.19 C ATOM 293 OD1 ASP A 335 94.515 -5.599 1.729 1.00 1.96 O ATOM 294 OD2 ASP A 335 92.995 -5.032 3.146 1.00 1.61 O ATOM 0 H ASP A 335 97.154 -4.192 5.087 1.00 0.67 H new ATOM 0 HA ASP A 335 96.796 -5.718 2.653 1.00 0.65 H new ATOM 0 HB2 ASP A 335 95.229 -5.259 4.674 1.00 0.67 H new ATOM 0 HB3 ASP A 335 95.042 -3.625 4.070 1.00 0.67 H new ATOM 299 N ALA A 336 96.739 -2.454 2.295 1.00 0.60 N ATOM 300 CA ALA A 336 96.801 -1.408 1.232 1.00 0.62 C ATOM 301 C ALA A 336 98.117 -1.508 0.466 1.00 0.51 C ATOM 302 O ALA A 336 98.151 -1.356 -0.738 1.00 0.55 O ATOM 303 CB ALA A 336 96.705 -0.073 1.971 1.00 0.76 C ATOM 0 H ALA A 336 96.734 -2.101 3.252 1.00 0.60 H new ATOM 0 HA ALA A 336 96.001 -1.521 0.500 1.00 0.62 H new ATOM 0 HB1 ALA A 336 96.744 0.745 1.251 1.00 0.76 H new ATOM 0 HB2 ALA A 336 95.765 -0.028 2.521 1.00 0.76 H new ATOM 0 HB3 ALA A 336 97.538 0.017 2.669 1.00 0.76 H new ATOM 309 N ALA A 337 99.193 -1.789 1.138 1.00 0.46 N ATOM 310 CA ALA A 337 100.492 -1.918 0.413 1.00 0.50 C ATOM 311 C ALA A 337 100.440 -3.112 -0.546 1.00 0.62 C ATOM 312 O ALA A 337 101.057 -3.108 -1.592 1.00 0.72 O ATOM 313 CB ALA A 337 101.546 -2.145 1.498 1.00 0.50 C ATOM 0 H ALA A 337 99.235 -1.934 2.147 1.00 0.46 H new ATOM 0 HA ALA A 337 100.718 -1.035 -0.184 1.00 0.50 H new ATOM 0 HB1 ALA A 337 102.528 -2.249 1.036 1.00 0.50 H new ATOM 0 HB2 ALA A 337 101.554 -1.295 2.181 1.00 0.50 H new ATOM 0 HB3 ALA A 337 101.308 -3.053 2.052 1.00 0.50 H new ATOM 319 N GLN A 338 99.731 -4.145 -0.181 1.00 0.71 N ATOM 320 CA GLN A 338 99.666 -5.354 -1.052 1.00 0.91 C ATOM 321 C GLN A 338 98.864 -5.078 -2.329 1.00 0.94 C ATOM 322 O GLN A 338 99.298 -5.389 -3.418 1.00 1.06 O ATOM 323 CB GLN A 338 98.973 -6.411 -0.195 1.00 1.03 C ATOM 324 CG GLN A 338 99.863 -6.865 0.988 1.00 1.03 C ATOM 325 CD GLN A 338 101.205 -6.102 1.058 1.00 0.94 C ATOM 326 OE1 GLN A 338 102.015 -6.192 0.164 1.00 1.72 O ATOM 327 NE2 GLN A 338 101.473 -5.361 2.096 1.00 0.69 N ATOM 0 H GLN A 338 99.193 -4.205 0.684 1.00 0.71 H new ATOM 0 HA GLN A 338 100.655 -5.670 -1.383 1.00 0.91 H new ATOM 0 HB2 GLN A 338 98.035 -6.010 0.189 1.00 1.03 H new ATOM 0 HB3 GLN A 338 98.722 -7.273 -0.813 1.00 1.03 H new ATOM 0 HG2 GLN A 338 99.319 -6.720 1.922 1.00 1.03 H new ATOM 0 HG3 GLN A 338 100.062 -7.933 0.897 1.00 1.03 H new ATOM 0 HE21 GLN A 338 100.795 -5.280 2.854 1.00 0.69 H new ATOM 0 HE22 GLN A 338 102.361 -4.862 2.151 1.00 0.69 H new ATOM 336 N LEU A 339 97.677 -4.551 -2.211 1.00 0.86 N ATOM 337 CA LEU A 339 96.858 -4.331 -3.442 1.00 0.90 C ATOM 338 C LEU A 339 97.433 -3.178 -4.273 1.00 0.84 C ATOM 339 O LEU A 339 97.466 -3.235 -5.486 1.00 1.00 O ATOM 340 CB LEU A 339 95.434 -4.017 -2.967 1.00 0.80 C ATOM 341 CG LEU A 339 95.442 -2.972 -1.850 1.00 1.01 C ATOM 342 CD1 LEU A 339 94.769 -1.695 -2.349 1.00 1.34 C ATOM 343 CD2 LEU A 339 94.660 -3.526 -0.654 1.00 1.58 C ATOM 0 H LEU A 339 97.242 -4.267 -1.333 1.00 0.86 H new ATOM 0 HA LEU A 339 96.864 -5.211 -4.085 1.00 0.90 H new ATOM 0 HB2 LEU A 339 94.840 -3.653 -3.805 1.00 0.80 H new ATOM 0 HB3 LEU A 339 94.957 -4.930 -2.611 1.00 0.80 H new ATOM 0 HG LEU A 339 96.467 -2.748 -1.554 1.00 1.01 H new ATOM 0 HD11 LEU A 339 94.773 -0.948 -1.555 1.00 1.34 H new ATOM 0 HD12 LEU A 339 95.313 -1.311 -3.212 1.00 1.34 H new ATOM 0 HD13 LEU A 339 93.741 -1.914 -2.636 1.00 1.34 H new ATOM 0 HD21 LEU A 339 94.657 -2.791 0.151 1.00 1.58 H new ATOM 0 HD22 LEU A 339 93.634 -3.737 -0.956 1.00 1.58 H new ATOM 0 HD23 LEU A 339 95.132 -4.445 -0.305 1.00 1.58 H new ATOM 355 N ALA A 340 97.937 -2.157 -3.634 1.00 0.74 N ATOM 356 CA ALA A 340 98.564 -1.038 -4.394 1.00 0.93 C ATOM 357 C ALA A 340 99.846 -1.516 -5.078 1.00 1.36 C ATOM 358 O ALA A 340 100.374 -0.863 -5.956 1.00 2.24 O ATOM 359 CB ALA A 340 98.886 0.022 -3.339 1.00 0.82 C ATOM 0 H ALA A 340 97.942 -2.049 -2.620 1.00 0.74 H new ATOM 0 HA ALA A 340 97.910 -0.653 -5.177 1.00 0.93 H new ATOM 0 HB1 ALA A 340 99.352 0.883 -3.818 1.00 0.82 H new ATOM 0 HB2 ALA A 340 97.966 0.336 -2.846 1.00 0.82 H new ATOM 0 HB3 ALA A 340 99.570 -0.396 -2.600 1.00 0.82 H new ATOM 365 N SER A 341 100.327 -2.670 -4.710 1.00 1.07 N ATOM 366 CA SER A 341 101.550 -3.212 -5.374 1.00 1.44 C ATOM 367 C SER A 341 101.158 -4.199 -6.478 1.00 1.51 C ATOM 368 O SER A 341 101.927 -4.474 -7.378 1.00 2.65 O ATOM 369 CB SER A 341 102.339 -3.911 -4.265 1.00 2.84 C ATOM 370 OG SER A 341 101.554 -4.955 -3.715 1.00 3.56 O ATOM 0 H SER A 341 99.929 -3.262 -3.981 1.00 1.07 H new ATOM 0 HA SER A 341 102.142 -2.430 -5.849 1.00 1.44 H new ATOM 0 HB2 SER A 341 103.270 -4.313 -4.664 1.00 2.84 H new ATOM 0 HB3 SER A 341 102.608 -3.195 -3.488 1.00 2.84 H new ATOM 0 HG SER A 341 100.645 -4.906 -4.077 1.00 3.56 H new ATOM 376 N LEU A 342 99.948 -4.684 -6.454 1.00 1.19 N ATOM 377 CA LEU A 342 99.494 -5.594 -7.546 1.00 2.40 C ATOM 378 C LEU A 342 99.612 -4.886 -8.898 1.00 2.59 C ATOM 379 O LEU A 342 99.706 -5.513 -9.934 1.00 3.62 O ATOM 380 CB LEU A 342 98.024 -5.891 -7.242 1.00 3.39 C ATOM 381 CG LEU A 342 97.907 -6.631 -5.911 1.00 3.93 C ATOM 382 CD1 LEU A 342 96.460 -7.087 -5.712 1.00 4.36 C ATOM 383 CD2 LEU A 342 98.830 -7.852 -5.923 1.00 3.74 C ATOM 0 H LEU A 342 99.256 -4.492 -5.730 1.00 1.19 H new ATOM 0 HA LEU A 342 100.094 -6.503 -7.595 1.00 2.40 H new ATOM 0 HB2 LEU A 342 97.457 -4.961 -7.202 1.00 3.39 H new ATOM 0 HB3 LEU A 342 97.593 -6.493 -8.042 1.00 3.39 H new ATOM 0 HG LEU A 342 98.196 -5.967 -5.097 1.00 3.93 H new ATOM 0 HD11 LEU A 342 96.372 -7.616 -4.763 1.00 4.36 H new ATOM 0 HD12 LEU A 342 95.802 -6.218 -5.705 1.00 4.36 H new ATOM 0 HD13 LEU A 342 96.173 -7.753 -6.526 1.00 4.36 H new ATOM 0 HD21 LEU A 342 98.747 -8.380 -4.973 1.00 3.74 H new ATOM 0 HD22 LEU A 342 98.541 -8.519 -6.736 1.00 3.74 H new ATOM 0 HD23 LEU A 342 99.860 -7.528 -6.069 1.00 3.74 H new ATOM 395 N ALA A 343 99.533 -3.583 -8.897 1.00 2.04 N ATOM 396 CA ALA A 343 99.555 -2.830 -10.185 1.00 2.90 C ATOM 397 C ALA A 343 100.993 -2.493 -10.595 1.00 2.34 C ATOM 398 O ALA A 343 101.241 -2.055 -11.701 1.00 2.96 O ATOM 399 CB ALA A 343 98.759 -1.554 -9.907 1.00 3.81 C ATOM 0 H ALA A 343 99.454 -3.006 -8.059 1.00 2.04 H new ATOM 0 HA ALA A 343 99.130 -3.409 -11.005 1.00 2.90 H new ATOM 0 HB1 ALA A 343 98.727 -0.941 -10.808 1.00 3.81 H new ATOM 0 HB2 ALA A 343 97.743 -1.816 -9.610 1.00 3.81 H new ATOM 0 HB3 ALA A 343 99.238 -0.994 -9.104 1.00 3.81 H new ATOM 405 N ASP A 344 101.948 -2.714 -9.733 1.00 1.46 N ATOM 406 CA ASP A 344 103.362 -2.427 -10.111 1.00 1.77 C ATOM 407 C ASP A 344 104.022 -3.688 -10.680 1.00 1.92 C ATOM 408 O ASP A 344 103.816 -4.781 -10.193 1.00 1.99 O ATOM 409 CB ASP A 344 104.048 -1.985 -8.813 1.00 1.69 C ATOM 410 CG ASP A 344 104.342 -3.202 -7.931 1.00 2.00 C ATOM 411 OD1 ASP A 344 105.083 -4.065 -8.372 1.00 2.84 O ATOM 412 OD2 ASP A 344 103.828 -3.244 -6.826 1.00 1.89 O ATOM 0 H ASP A 344 101.813 -3.078 -8.790 1.00 1.46 H new ATOM 0 HA ASP A 344 103.436 -1.659 -10.881 1.00 1.77 H new ATOM 0 HB2 ASP A 344 104.975 -1.461 -9.043 1.00 1.69 H new ATOM 0 HB3 ASP A 344 103.410 -1.283 -8.276 1.00 1.69 H new ATOM 417 N GLU A 345 104.810 -3.543 -11.711 1.00 2.10 N ATOM 418 CA GLU A 345 105.478 -4.735 -12.310 1.00 2.37 C ATOM 419 C GLU A 345 106.890 -4.894 -11.741 1.00 2.30 C ATOM 420 O GLU A 345 107.655 -5.732 -12.175 1.00 2.51 O ATOM 421 CB GLU A 345 105.530 -4.453 -13.812 1.00 2.66 C ATOM 422 CG GLU A 345 104.108 -4.295 -14.353 1.00 2.29 C ATOM 423 CD GLU A 345 104.158 -4.088 -15.868 1.00 2.60 C ATOM 424 OE1 GLU A 345 105.248 -3.907 -16.386 1.00 2.99 O ATOM 425 OE2 GLU A 345 103.106 -4.115 -16.485 1.00 2.87 O ATOM 0 H GLU A 345 105.020 -2.653 -12.164 1.00 2.10 H new ATOM 0 HA GLU A 345 104.943 -5.659 -12.090 1.00 2.37 H new ATOM 0 HB2 GLU A 345 106.105 -3.547 -14.003 1.00 2.66 H new ATOM 0 HB3 GLU A 345 106.038 -5.268 -14.328 1.00 2.66 H new ATOM 0 HG2 GLU A 345 103.517 -5.179 -14.116 1.00 2.29 H new ATOM 0 HG3 GLU A 345 103.618 -3.447 -13.875 1.00 2.29 H new ATOM 432 N THR A 346 107.236 -4.099 -10.769 1.00 2.06 N ATOM 433 CA THR A 346 108.596 -4.208 -10.165 1.00 2.06 C ATOM 434 C THR A 346 108.653 -5.400 -9.207 1.00 1.91 C ATOM 435 O THR A 346 107.705 -5.675 -8.500 1.00 1.73 O ATOM 436 CB THR A 346 108.797 -2.897 -9.403 1.00 2.02 C ATOM 437 OG1 THR A 346 107.698 -2.687 -8.528 1.00 1.96 O ATOM 438 CG2 THR A 346 108.892 -1.737 -10.396 1.00 2.07 C ATOM 0 H THR A 346 106.638 -3.378 -10.365 1.00 2.06 H new ATOM 0 HA THR A 346 109.371 -4.366 -10.915 1.00 2.06 H new ATOM 0 HB THR A 346 109.718 -2.951 -8.823 1.00 2.02 H new ATOM 0 HG1 THR A 346 108.022 -2.327 -7.676 1.00 1.96 H new ATOM 0 HG21 THR A 346 109.035 -0.803 -9.852 1.00 2.07 H new ATOM 0 HG22 THR A 346 109.736 -1.900 -11.066 1.00 2.07 H new ATOM 0 HG23 THR A 346 107.972 -1.680 -10.978 1.00 2.07 H new ATOM 446 N PRO A 347 109.778 -6.063 -9.210 1.00 2.03 N ATOM 447 CA PRO A 347 109.970 -7.234 -8.319 1.00 1.99 C ATOM 448 C PRO A 347 109.757 -6.829 -6.857 1.00 1.79 C ATOM 449 O PRO A 347 109.258 -7.595 -6.058 1.00 1.68 O ATOM 450 CB PRO A 347 111.422 -7.650 -8.558 1.00 2.25 C ATOM 451 CG PRO A 347 111.818 -7.010 -9.854 1.00 2.38 C ATOM 452 CD PRO A 347 110.957 -5.789 -10.033 1.00 2.29 C ATOM 0 HA PRO A 347 109.267 -8.041 -8.523 1.00 1.99 H new ATOM 0 HB2 PRO A 347 112.064 -7.315 -7.744 1.00 2.25 H new ATOM 0 HB3 PRO A 347 111.515 -8.735 -8.612 1.00 2.25 H new ATOM 0 HG2 PRO A 347 112.873 -6.737 -9.841 1.00 2.38 H new ATOM 0 HG3 PRO A 347 111.678 -7.703 -10.683 1.00 2.38 H new ATOM 0 HD2 PRO A 347 111.472 -4.886 -9.705 1.00 2.29 H new ATOM 0 HD3 PRO A 347 110.688 -5.640 -11.079 1.00 2.29 H new ATOM 460 N GLU A 348 110.110 -5.622 -6.508 1.00 1.76 N ATOM 461 CA GLU A 348 109.904 -5.164 -5.104 1.00 1.64 C ATOM 462 C GLU A 348 108.408 -5.134 -4.775 1.00 1.41 C ATOM 463 O GLU A 348 107.996 -5.461 -3.681 1.00 1.31 O ATOM 464 CB GLU A 348 110.491 -3.753 -5.056 1.00 1.72 C ATOM 465 CG GLU A 348 112.002 -3.820 -5.282 1.00 2.14 C ATOM 466 CD GLU A 348 112.646 -4.654 -4.174 1.00 2.49 C ATOM 467 OE1 GLU A 348 111.997 -4.860 -3.162 1.00 2.49 O ATOM 468 OE2 GLU A 348 113.776 -5.075 -4.356 1.00 3.25 O ATOM 0 H GLU A 348 110.531 -4.934 -7.133 1.00 1.76 H new ATOM 0 HA GLU A 348 110.378 -5.826 -4.379 1.00 1.64 H new ATOM 0 HB2 GLU A 348 110.026 -3.128 -5.819 1.00 1.72 H new ATOM 0 HB3 GLU A 348 110.277 -3.291 -4.092 1.00 1.72 H new ATOM 0 HG2 GLU A 348 112.216 -4.262 -6.255 1.00 2.14 H new ATOM 0 HG3 GLU A 348 112.425 -2.815 -5.288 1.00 2.14 H new ATOM 475 N GLY A 349 107.592 -4.767 -5.723 1.00 1.42 N ATOM 476 CA GLY A 349 106.123 -4.742 -5.473 1.00 1.30 C ATOM 477 C GLY A 349 105.645 -6.141 -5.078 1.00 1.23 C ATOM 478 O GLY A 349 104.746 -6.295 -4.276 1.00 1.23 O ATOM 0 H GLY A 349 107.878 -4.483 -6.660 1.00 1.42 H new ATOM 0 HA2 GLY A 349 105.891 -4.030 -4.681 1.00 1.30 H new ATOM 0 HA3 GLY A 349 105.598 -4.406 -6.367 1.00 1.30 H new ATOM 482 N ARG A 350 106.326 -7.158 -5.528 1.00 1.19 N ATOM 483 CA ARG A 350 105.995 -8.534 -5.060 1.00 1.15 C ATOM 484 C ARG A 350 106.554 -8.747 -3.659 1.00 1.06 C ATOM 485 O ARG A 350 105.933 -9.359 -2.817 1.00 0.94 O ATOM 486 CB ARG A 350 106.673 -9.470 -6.056 1.00 1.18 C ATOM 487 CG ARG A 350 106.366 -8.996 -7.473 1.00 1.81 C ATOM 488 CD ARG A 350 106.899 -10.015 -8.483 1.00 2.33 C ATOM 489 NE ARG A 350 108.356 -10.116 -8.197 1.00 2.77 N ATOM 490 CZ ARG A 350 109.115 -10.899 -8.919 1.00 3.16 C ATOM 491 NH1 ARG A 350 108.600 -11.599 -9.894 1.00 3.46 N ATOM 492 NH2 ARG A 350 110.392 -10.981 -8.663 1.00 3.62 N ATOM 0 H ARG A 350 107.094 -7.097 -6.196 1.00 1.19 H new ATOM 0 HA ARG A 350 104.921 -8.711 -5.011 1.00 1.15 H new ATOM 0 HB2 ARG A 350 107.750 -9.482 -5.888 1.00 1.18 H new ATOM 0 HB3 ARG A 350 106.317 -10.491 -5.915 1.00 1.18 H new ATOM 0 HG2 ARG A 350 105.291 -8.871 -7.600 1.00 1.81 H new ATOM 0 HG3 ARG A 350 106.823 -8.022 -7.648 1.00 1.81 H new ATOM 0 HD2 ARG A 350 106.406 -10.980 -8.367 1.00 2.33 H new ATOM 0 HD3 ARG A 350 106.720 -9.687 -9.507 1.00 2.33 H new ATOM 0 HE ARG A 350 108.764 -9.573 -7.436 1.00 2.77 H new ATOM 0 HH11 ARG A 350 107.602 -11.536 -10.095 1.00 3.46 H new ATOM 0 HH12 ARG A 350 109.196 -12.208 -10.454 1.00 3.46 H new ATOM 0 HH21 ARG A 350 110.796 -10.435 -7.902 1.00 3.62 H new ATOM 0 HH22 ARG A 350 110.987 -11.591 -9.224 1.00 3.62 H new ATOM 506 N SER A 351 107.698 -8.198 -3.384 1.00 1.15 N ATOM 507 CA SER A 351 108.259 -8.326 -2.010 1.00 1.10 C ATOM 508 C SER A 351 107.232 -7.830 -0.988 1.00 0.97 C ATOM 509 O SER A 351 106.959 -8.481 -0.001 1.00 0.87 O ATOM 510 CB SER A 351 109.499 -7.434 -2.003 1.00 1.25 C ATOM 511 OG SER A 351 110.359 -7.818 -3.068 1.00 2.40 O ATOM 0 H SER A 351 108.268 -7.669 -4.043 1.00 1.15 H new ATOM 0 HA SER A 351 108.503 -9.356 -1.750 1.00 1.10 H new ATOM 0 HB2 SER A 351 109.210 -6.389 -2.112 1.00 1.25 H new ATOM 0 HB3 SER A 351 110.020 -7.523 -1.050 1.00 1.25 H new ATOM 0 HG SER A 351 111.184 -7.290 -3.029 1.00 2.40 H new ATOM 517 N ILE A 352 106.622 -6.707 -1.246 1.00 1.00 N ATOM 518 CA ILE A 352 105.570 -6.194 -0.323 1.00 0.93 C ATOM 519 C ILE A 352 104.343 -7.123 -0.307 1.00 0.80 C ATOM 520 O ILE A 352 103.860 -7.499 0.746 1.00 0.70 O ATOM 521 CB ILE A 352 105.238 -4.811 -0.881 1.00 1.08 C ATOM 522 CG1 ILE A 352 106.292 -3.819 -0.385 1.00 1.16 C ATOM 523 CG2 ILE A 352 103.849 -4.362 -0.421 1.00 1.16 C ATOM 524 CD1 ILE A 352 106.125 -2.484 -1.102 1.00 1.39 C ATOM 0 H ILE A 352 106.807 -6.120 -2.059 1.00 1.00 H new ATOM 0 HA ILE A 352 105.899 -6.149 0.715 1.00 0.93 H new ATOM 0 HB ILE A 352 105.239 -4.851 -1.970 1.00 1.08 H new ATOM 0 HG12 ILE A 352 106.194 -3.678 0.691 1.00 1.16 H new ATOM 0 HG13 ILE A 352 107.291 -4.216 -0.565 1.00 1.16 H new ATOM 0 HG21 ILE A 352 103.632 -3.375 -0.829 1.00 1.16 H new ATOM 0 HG22 ILE A 352 103.102 -5.073 -0.773 1.00 1.16 H new ATOM 0 HG23 ILE A 352 103.823 -4.318 0.668 1.00 1.16 H new ATOM 0 HD11 ILE A 352 106.878 -1.782 -0.744 1.00 1.39 H new ATOM 0 HD12 ILE A 352 106.246 -2.630 -2.175 1.00 1.39 H new ATOM 0 HD13 ILE A 352 105.131 -2.084 -0.900 1.00 1.39 H new ATOM 536 N VAL A 353 103.817 -7.485 -1.451 1.00 0.86 N ATOM 537 CA VAL A 353 102.609 -8.373 -1.464 1.00 0.82 C ATOM 538 C VAL A 353 102.869 -9.642 -0.641 1.00 0.77 C ATOM 539 O VAL A 353 102.026 -10.094 0.110 1.00 0.77 O ATOM 540 CB VAL A 353 102.384 -8.732 -2.937 1.00 0.97 C ATOM 541 CG1 VAL A 353 101.309 -9.815 -3.040 1.00 1.18 C ATOM 542 CG2 VAL A 353 101.921 -7.492 -3.704 1.00 1.10 C ATOM 0 H VAL A 353 104.166 -7.209 -2.369 1.00 0.86 H new ATOM 0 HA VAL A 353 101.740 -7.881 -1.027 1.00 0.82 H new ATOM 0 HB VAL A 353 103.318 -9.098 -3.364 1.00 0.97 H new ATOM 0 HG11 VAL A 353 101.149 -10.070 -4.088 1.00 1.18 H new ATOM 0 HG12 VAL A 353 101.633 -10.702 -2.496 1.00 1.18 H new ATOM 0 HG13 VAL A 353 100.378 -9.445 -2.610 1.00 1.18 H new ATOM 0 HG21 VAL A 353 101.762 -7.750 -4.751 1.00 1.10 H new ATOM 0 HG22 VAL A 353 100.988 -7.126 -3.275 1.00 1.10 H new ATOM 0 HG23 VAL A 353 102.682 -6.715 -3.634 1.00 1.10 H new ATOM 552 N ILE A 354 104.089 -10.096 -0.625 1.00 0.79 N ATOM 553 CA ILE A 354 104.463 -11.192 0.316 1.00 0.84 C ATOM 554 C ILE A 354 104.431 -10.692 1.759 1.00 0.72 C ATOM 555 O ILE A 354 104.003 -11.388 2.653 1.00 0.77 O ATOM 556 CB ILE A 354 105.883 -11.569 -0.079 1.00 0.97 C ATOM 557 CG1 ILE A 354 105.899 -12.032 -1.538 1.00 1.21 C ATOM 558 CG2 ILE A 354 106.385 -12.694 0.829 1.00 1.11 C ATOM 559 CD1 ILE A 354 107.334 -12.009 -2.069 1.00 1.36 C ATOM 0 H ILE A 354 104.845 -9.758 -1.221 1.00 0.79 H new ATOM 0 HA ILE A 354 103.776 -12.037 0.260 1.00 0.84 H new ATOM 0 HB ILE A 354 106.535 -10.703 0.031 1.00 0.97 H new ATOM 0 HG12 ILE A 354 105.488 -13.039 -1.615 1.00 1.21 H new ATOM 0 HG13 ILE A 354 105.266 -11.383 -2.143 1.00 1.21 H new ATOM 0 HG21 ILE A 354 107.402 -12.964 0.546 1.00 1.11 H new ATOM 0 HG22 ILE A 354 106.374 -12.357 1.866 1.00 1.11 H new ATOM 0 HG23 ILE A 354 105.736 -13.564 0.723 1.00 1.11 H new ATOM 0 HD11 ILE A 354 107.343 -12.339 -3.108 1.00 1.36 H new ATOM 0 HD12 ILE A 354 107.729 -10.995 -2.007 1.00 1.36 H new ATOM 0 HD13 ILE A 354 107.954 -12.677 -1.471 1.00 1.36 H new ATOM 571 N LEU A 355 104.997 -9.552 2.007 1.00 0.63 N ATOM 572 CA LEU A 355 105.124 -9.082 3.417 1.00 0.62 C ATOM 573 C LEU A 355 103.792 -9.246 4.153 1.00 0.55 C ATOM 574 O LEU A 355 103.721 -9.855 5.202 1.00 0.61 O ATOM 575 CB LEU A 355 105.467 -7.601 3.298 1.00 0.64 C ATOM 576 CG LEU A 355 106.091 -7.097 4.606 1.00 0.73 C ATOM 577 CD1 LEU A 355 106.253 -5.577 4.541 1.00 1.14 C ATOM 578 CD2 LEU A 355 105.186 -7.455 5.787 1.00 1.15 C ATOM 0 H LEU A 355 105.378 -8.922 1.301 1.00 0.63 H new ATOM 0 HA LEU A 355 105.873 -9.645 3.973 1.00 0.62 H new ATOM 0 HB2 LEU A 355 106.161 -7.446 2.472 1.00 0.64 H new ATOM 0 HB3 LEU A 355 104.568 -7.029 3.071 1.00 0.64 H new ATOM 0 HG LEU A 355 107.065 -7.568 4.741 1.00 0.73 H new ATOM 0 HD11 LEU A 355 106.696 -5.218 5.470 1.00 1.14 H new ATOM 0 HD12 LEU A 355 106.902 -5.316 3.705 1.00 1.14 H new ATOM 0 HD13 LEU A 355 105.277 -5.113 4.402 1.00 1.14 H new ATOM 0 HD21 LEU A 355 105.635 -7.094 6.712 1.00 1.15 H new ATOM 0 HD22 LEU A 355 104.210 -6.989 5.652 1.00 1.15 H new ATOM 0 HD23 LEU A 355 105.067 -8.537 5.839 1.00 1.15 H new ATOM 590 N ALA A 356 102.725 -8.746 3.598 1.00 0.52 N ATOM 591 CA ALA A 356 101.402 -8.925 4.263 1.00 0.54 C ATOM 592 C ALA A 356 101.041 -10.409 4.295 1.00 0.53 C ATOM 593 O ALA A 356 100.433 -10.899 5.230 1.00 0.57 O ATOM 594 CB ALA A 356 100.407 -8.143 3.406 1.00 0.61 C ATOM 0 H ALA A 356 102.709 -8.226 2.721 1.00 0.52 H new ATOM 0 HA ALA A 356 101.402 -8.570 5.293 1.00 0.54 H new ATOM 0 HB1 ALA A 356 99.409 -8.230 3.836 1.00 0.61 H new ATOM 0 HB2 ALA A 356 100.699 -7.093 3.376 1.00 0.61 H new ATOM 0 HB3 ALA A 356 100.402 -8.547 2.394 1.00 0.61 H new ATOM 600 N LYS A 357 101.352 -11.126 3.254 1.00 0.57 N ATOM 601 CA LYS A 357 100.952 -12.560 3.219 1.00 0.68 C ATOM 602 C LYS A 357 101.548 -13.327 4.405 1.00 0.79 C ATOM 603 O LYS A 357 100.855 -14.018 5.115 1.00 0.93 O ATOM 604 CB LYS A 357 101.508 -13.111 1.914 1.00 0.88 C ATOM 605 CG LYS A 357 101.125 -14.585 1.820 1.00 0.97 C ATOM 606 CD LYS A 357 99.707 -14.710 1.257 1.00 1.16 C ATOM 607 CE LYS A 357 99.348 -16.190 1.102 1.00 0.90 C ATOM 608 NZ LYS A 357 97.883 -16.204 0.836 1.00 1.15 N ATOM 0 H LYS A 357 101.859 -10.789 2.436 1.00 0.57 H new ATOM 0 HA LYS A 357 99.869 -12.666 3.283 1.00 0.68 H new ATOM 0 HB2 LYS A 357 101.105 -12.558 1.065 1.00 0.88 H new ATOM 0 HB3 LYS A 357 102.592 -12.997 1.884 1.00 0.88 H new ATOM 0 HG2 LYS A 357 101.830 -15.115 1.179 1.00 0.97 H new ATOM 0 HG3 LYS A 357 101.179 -15.049 2.805 1.00 0.97 H new ATOM 0 HD2 LYS A 357 98.996 -14.220 1.922 1.00 1.16 H new ATOM 0 HD3 LYS A 357 99.641 -14.206 0.293 1.00 1.16 H new ATOM 0 HE2 LYS A 357 99.903 -16.647 0.282 1.00 0.90 H new ATOM 0 HE3 LYS A 357 99.591 -16.752 2.004 1.00 0.90 H new ATOM 0 HZ1 LYS A 357 97.430 -16.929 1.428 1.00 1.15 H new ATOM 0 HZ2 LYS A 357 97.480 -15.272 1.061 1.00 1.15 H new ATOM 0 HZ3 LYS A 357 97.714 -16.421 -0.167 1.00 1.15 H new ATOM 622 N GLN A 358 102.830 -13.249 4.608 1.00 0.80 N ATOM 623 CA GLN A 358 103.436 -14.019 5.729 1.00 1.01 C ATOM 624 C GLN A 358 102.925 -13.479 7.067 1.00 1.05 C ATOM 625 O GLN A 358 102.713 -14.220 8.006 1.00 1.25 O ATOM 626 CB GLN A 358 104.946 -13.813 5.600 1.00 1.03 C ATOM 627 CG GLN A 358 105.292 -12.353 5.890 1.00 0.99 C ATOM 628 CD GLN A 358 106.762 -12.100 5.553 1.00 1.21 C ATOM 629 OE1 GLN A 358 107.260 -12.578 4.554 1.00 1.62 O ATOM 630 NE2 GLN A 358 107.484 -11.361 6.351 1.00 1.90 N ATOM 0 H GLN A 358 103.481 -12.692 4.054 1.00 0.80 H new ATOM 0 HA GLN A 358 103.176 -15.077 5.690 1.00 1.01 H new ATOM 0 HB2 GLN A 358 105.473 -14.467 6.295 1.00 1.03 H new ATOM 0 HB3 GLN A 358 105.275 -14.083 4.597 1.00 1.03 H new ATOM 0 HG2 GLN A 358 104.654 -11.693 5.301 1.00 0.99 H new ATOM 0 HG3 GLN A 358 105.104 -12.125 6.939 1.00 0.99 H new ATOM 0 HE21 GLN A 358 107.067 -10.959 7.190 1.00 1.90 H new ATOM 0 HE22 GLN A 358 108.465 -11.186 6.135 1.00 1.90 H new ATOM 639 N ARG A 359 102.783 -12.187 7.177 1.00 0.93 N ATOM 640 CA ARG A 359 102.355 -11.591 8.473 1.00 1.10 C ATOM 641 C ARG A 359 100.877 -11.890 8.765 1.00 1.09 C ATOM 642 O ARG A 359 100.518 -12.222 9.878 1.00 1.55 O ATOM 643 CB ARG A 359 102.568 -10.087 8.300 1.00 1.08 C ATOM 644 CG ARG A 359 104.049 -9.808 8.036 1.00 1.26 C ATOM 645 CD ARG A 359 104.866 -10.160 9.281 1.00 1.27 C ATOM 646 NE ARG A 359 106.259 -9.742 8.955 1.00 1.47 N ATOM 647 CZ ARG A 359 107.267 -10.224 9.634 1.00 1.98 C ATOM 648 NH1 ARG A 359 107.061 -11.077 10.602 1.00 2.63 N ATOM 649 NH2 ARG A 359 108.483 -9.854 9.342 1.00 2.38 N ATOM 0 H ARG A 359 102.945 -11.518 6.424 1.00 0.93 H new ATOM 0 HA ARG A 359 102.920 -12.001 9.310 1.00 1.10 H new ATOM 0 HB2 ARG A 359 101.964 -9.716 7.472 1.00 1.08 H new ATOM 0 HB3 ARG A 359 102.241 -9.557 9.195 1.00 1.08 H new ATOM 0 HG2 ARG A 359 104.394 -10.394 7.184 1.00 1.26 H new ATOM 0 HG3 ARG A 359 104.192 -8.758 7.779 1.00 1.26 H new ATOM 0 HD2 ARG A 359 104.492 -9.636 10.161 1.00 1.27 H new ATOM 0 HD3 ARG A 359 104.814 -11.227 9.499 1.00 1.27 H new ATOM 0 HE ARG A 359 106.427 -9.078 8.199 1.00 1.47 H new ATOM 0 HH11 ARG A 359 106.111 -11.369 10.831 1.00 2.63 H new ATOM 0 HH12 ARG A 359 107.850 -11.451 11.129 1.00 2.63 H new ATOM 0 HH21 ARG A 359 108.646 -9.190 8.585 1.00 2.38 H new ATOM 0 HH22 ARG A 359 109.271 -10.229 9.870 1.00 2.38 H new ATOM 663 N PHE A 360 100.006 -11.742 7.798 1.00 0.70 N ATOM 664 CA PHE A 360 98.558 -11.984 8.072 1.00 0.74 C ATOM 665 C PHE A 360 98.043 -13.163 7.252 1.00 0.74 C ATOM 666 O PHE A 360 96.969 -13.678 7.493 1.00 1.09 O ATOM 667 CB PHE A 360 97.846 -10.693 7.671 1.00 0.85 C ATOM 668 CG PHE A 360 97.968 -9.683 8.788 1.00 1.28 C ATOM 669 CD1 PHE A 360 97.249 -9.869 9.978 1.00 1.78 C ATOM 670 CD2 PHE A 360 98.796 -8.561 8.638 1.00 2.03 C ATOM 671 CE1 PHE A 360 97.356 -8.935 11.016 1.00 2.74 C ATOM 672 CE2 PHE A 360 98.902 -7.626 9.678 1.00 3.03 C ATOM 673 CZ PHE A 360 98.182 -7.813 10.867 1.00 3.32 C ATOM 0 H PHE A 360 100.232 -11.467 6.842 1.00 0.70 H new ATOM 0 HA PHE A 360 98.381 -12.233 9.118 1.00 0.74 H new ATOM 0 HB2 PHE A 360 98.283 -10.293 6.756 1.00 0.85 H new ATOM 0 HB3 PHE A 360 96.795 -10.894 7.461 1.00 0.85 H new ATOM 0 HD1 PHE A 360 96.612 -10.734 10.094 1.00 1.78 H new ATOM 0 HD2 PHE A 360 99.351 -8.417 7.723 1.00 2.03 H new ATOM 0 HE1 PHE A 360 96.802 -9.080 11.932 1.00 2.74 H new ATOM 0 HE2 PHE A 360 99.539 -6.761 9.563 1.00 3.03 H new ATOM 0 HZ PHE A 360 98.264 -7.093 11.667 1.00 3.32 H new ATOM 683 N ASN A 361 98.782 -13.573 6.264 1.00 0.72 N ATOM 684 CA ASN A 361 98.311 -14.695 5.405 1.00 0.77 C ATOM 685 C ASN A 361 96.994 -14.320 4.737 1.00 0.91 C ATOM 686 O ASN A 361 96.009 -15.027 4.822 1.00 1.34 O ATOM 687 CB ASN A 361 98.127 -15.865 6.366 1.00 0.79 C ATOM 688 CG ASN A 361 98.138 -17.179 5.581 1.00 1.27 C ATOM 689 OD1 ASN A 361 98.593 -17.223 4.456 1.00 1.68 O ATOM 690 ND2 ASN A 361 97.655 -18.258 6.133 1.00 1.90 N ATOM 0 H ASN A 361 99.690 -13.182 6.012 1.00 0.72 H new ATOM 0 HA ASN A 361 99.009 -14.937 4.603 1.00 0.77 H new ATOM 0 HB2 ASN A 361 98.924 -15.867 7.110 1.00 0.79 H new ATOM 0 HB3 ASN A 361 97.186 -15.760 6.907 1.00 0.79 H new ATOM 0 HD21 ASN A 361 97.659 -19.139 5.620 1.00 1.90 H new ATOM 0 HD22 ASN A 361 97.273 -18.220 7.078 1.00 1.90 H new ATOM 697 N LEU A 362 96.961 -13.172 4.132 1.00 0.88 N ATOM 698 CA LEU A 362 95.701 -12.677 3.515 1.00 1.13 C ATOM 699 C LEU A 362 95.721 -12.939 2.006 1.00 1.12 C ATOM 700 O LEU A 362 96.665 -13.496 1.479 1.00 1.73 O ATOM 701 CB LEU A 362 95.698 -11.176 3.803 1.00 1.68 C ATOM 702 CG LEU A 362 96.068 -10.946 5.270 1.00 2.21 C ATOM 703 CD1 LEU A 362 96.209 -9.446 5.534 1.00 2.65 C ATOM 704 CD2 LEU A 362 94.968 -11.518 6.166 1.00 2.80 C ATOM 0 H LEU A 362 97.761 -12.546 4.036 1.00 0.88 H new ATOM 0 HA LEU A 362 94.814 -13.172 3.910 1.00 1.13 H new ATOM 0 HB2 LEU A 362 96.409 -10.667 3.152 1.00 1.68 H new ATOM 0 HB3 LEU A 362 94.715 -10.755 3.593 1.00 1.68 H new ATOM 0 HG LEU A 362 97.013 -11.443 5.488 1.00 2.21 H new ATOM 0 HD11 LEU A 362 96.472 -9.284 6.579 1.00 2.65 H new ATOM 0 HD12 LEU A 362 96.991 -9.036 4.895 1.00 2.65 H new ATOM 0 HD13 LEU A 362 95.264 -8.948 5.316 1.00 2.65 H new ATOM 0 HD21 LEU A 362 95.229 -11.355 7.212 1.00 2.80 H new ATOM 0 HD22 LEU A 362 94.024 -11.020 5.946 1.00 2.80 H new ATOM 0 HD23 LEU A 362 94.866 -12.587 5.980 1.00 2.80 H new ATOM 716 N ARG A 363 94.699 -12.536 1.302 1.00 1.10 N ATOM 717 CA ARG A 363 94.681 -12.760 -0.171 1.00 1.09 C ATOM 718 C ARG A 363 94.911 -11.451 -0.919 1.00 0.86 C ATOM 719 O ARG A 363 94.664 -10.376 -0.410 1.00 1.03 O ATOM 720 CB ARG A 363 93.292 -13.312 -0.480 1.00 1.21 C ATOM 721 CG ARG A 363 93.230 -14.775 -0.055 1.00 2.11 C ATOM 722 CD ARG A 363 91.861 -15.356 -0.415 1.00 2.74 C ATOM 723 NE ARG A 363 91.798 -16.664 0.295 1.00 3.36 N ATOM 724 CZ ARG A 363 91.537 -16.705 1.576 1.00 3.92 C ATOM 725 NH1 ARG A 363 91.333 -15.599 2.242 1.00 4.21 N ATOM 726 NH2 ARG A 363 91.481 -17.853 2.192 1.00 4.40 N ATOM 0 H ARG A 363 93.879 -12.063 1.681 1.00 1.10 H new ATOM 0 HA ARG A 363 95.470 -13.444 -0.483 1.00 1.09 H new ATOM 0 HB2 ARG A 363 92.532 -12.735 0.047 1.00 1.21 H new ATOM 0 HB3 ARG A 363 93.080 -13.221 -1.545 1.00 1.21 H new ATOM 0 HG2 ARG A 363 94.019 -15.342 -0.550 1.00 2.11 H new ATOM 0 HG3 ARG A 363 93.402 -14.860 1.018 1.00 2.11 H new ATOM 0 HD2 ARG A 363 91.055 -14.695 -0.096 1.00 2.74 H new ATOM 0 HD3 ARG A 363 91.759 -15.486 -1.492 1.00 2.74 H new ATOM 0 HE ARG A 363 91.959 -17.530 -0.219 1.00 3.36 H new ATOM 0 HH11 ARG A 363 91.377 -14.700 1.763 1.00 4.21 H new ATOM 0 HH12 ARG A 363 91.130 -15.635 3.241 1.00 4.21 H new ATOM 0 HH21 ARG A 363 91.641 -18.718 1.675 1.00 4.40 H new ATOM 0 HH22 ARG A 363 91.278 -17.886 3.191 1.00 4.40 H new ATOM 740 N GLU A 364 95.324 -11.544 -2.149 1.00 0.74 N ATOM 741 CA GLU A 364 95.505 -10.313 -2.969 1.00 0.86 C ATOM 742 C GLU A 364 94.149 -9.809 -3.453 1.00 1.02 C ATOM 743 O GLU A 364 93.147 -10.485 -3.330 1.00 0.95 O ATOM 744 CB GLU A 364 96.372 -10.739 -4.152 1.00 0.96 C ATOM 745 CG GLU A 364 97.765 -11.114 -3.651 1.00 1.26 C ATOM 746 CD GLU A 364 98.332 -9.967 -2.813 1.00 1.69 C ATOM 747 OE1 GLU A 364 98.324 -8.847 -3.296 1.00 2.21 O ATOM 748 OE2 GLU A 364 98.764 -10.228 -1.703 1.00 2.24 O ATOM 0 H GLU A 364 95.545 -12.419 -2.624 1.00 0.74 H new ATOM 0 HA GLU A 364 95.967 -9.504 -2.403 1.00 0.86 H new ATOM 0 HB2 GLU A 364 95.917 -11.587 -4.664 1.00 0.96 H new ATOM 0 HB3 GLU A 364 96.440 -9.928 -4.877 1.00 0.96 H new ATOM 0 HG2 GLU A 364 97.715 -12.025 -3.054 1.00 1.26 H new ATOM 0 HG3 GLU A 364 98.423 -11.322 -4.495 1.00 1.26 H new ATOM 755 N ARG A 365 94.093 -8.610 -3.960 1.00 1.36 N ATOM 756 CA ARG A 365 92.778 -8.063 -4.396 1.00 1.73 C ATOM 757 C ARG A 365 92.636 -8.154 -5.911 1.00 1.59 C ATOM 758 O ARG A 365 93.512 -7.764 -6.659 1.00 1.56 O ATOM 759 CB ARG A 365 92.773 -6.603 -3.940 1.00 1.83 C ATOM 760 CG ARG A 365 92.770 -6.546 -2.411 1.00 2.15 C ATOM 761 CD ARG A 365 92.529 -5.104 -1.955 1.00 2.41 C ATOM 762 NE ARG A 365 91.108 -4.825 -2.303 1.00 3.18 N ATOM 763 CZ ARG A 365 90.142 -5.388 -1.627 1.00 3.60 C ATOM 764 NH1 ARG A 365 90.414 -6.197 -0.639 1.00 4.16 N ATOM 765 NH2 ARG A 365 88.899 -5.138 -1.939 1.00 3.72 N ATOM 0 H ARG A 365 94.892 -7.990 -4.091 1.00 1.36 H new ATOM 0 HA ARG A 365 91.945 -8.622 -3.969 1.00 1.73 H new ATOM 0 HB2 ARG A 365 93.649 -6.085 -4.332 1.00 1.83 H new ATOM 0 HB3 ARG A 365 91.896 -6.090 -4.335 1.00 1.83 H new ATOM 0 HG2 ARG A 365 91.993 -7.199 -2.014 1.00 2.15 H new ATOM 0 HG3 ARG A 365 93.721 -6.908 -2.021 1.00 2.15 H new ATOM 0 HD2 ARG A 365 92.703 -4.994 -0.885 1.00 2.41 H new ATOM 0 HD3 ARG A 365 93.203 -4.412 -2.460 1.00 2.41 H new ATOM 0 HE ARG A 365 90.888 -4.192 -3.072 1.00 3.18 H new ATOM 0 HH11 ARG A 365 91.384 -6.392 -0.392 1.00 4.16 H new ATOM 0 HH12 ARG A 365 89.656 -6.634 -0.114 1.00 4.16 H new ATOM 0 HH21 ARG A 365 88.684 -4.504 -2.709 1.00 3.72 H new ATOM 0 HH22 ARG A 365 88.143 -5.576 -1.413 1.00 3.72 H new ATOM 779 N ASP A 366 91.517 -8.639 -6.366 1.00 1.70 N ATOM 780 CA ASP A 366 91.277 -8.732 -7.830 1.00 1.93 C ATOM 781 C ASP A 366 90.719 -7.410 -8.351 1.00 2.04 C ATOM 782 O ASP A 366 89.612 -7.019 -8.040 1.00 2.65 O ATOM 783 CB ASP A 366 90.256 -9.855 -7.980 1.00 2.62 C ATOM 784 CG ASP A 366 89.032 -9.557 -7.112 1.00 2.50 C ATOM 785 OD1 ASP A 366 89.065 -8.573 -6.391 1.00 2.86 O ATOM 786 OD2 ASP A 366 88.081 -10.318 -7.183 1.00 2.50 O ATOM 0 H ASP A 366 90.753 -8.978 -5.782 1.00 1.70 H new ATOM 0 HA ASP A 366 92.186 -8.932 -8.397 1.00 1.93 H new ATOM 0 HB2 ASP A 366 89.959 -9.952 -9.024 1.00 2.62 H new ATOM 0 HB3 ASP A 366 90.700 -10.806 -7.685 1.00 2.62 H new ATOM 791 N VAL A 367 91.501 -6.700 -9.108 1.00 1.75 N ATOM 792 CA VAL A 367 91.048 -5.378 -9.615 1.00 2.31 C ATOM 793 C VAL A 367 89.952 -5.555 -10.671 1.00 2.53 C ATOM 794 O VAL A 367 88.983 -4.827 -10.693 1.00 3.04 O ATOM 795 CB VAL A 367 92.300 -4.751 -10.231 1.00 2.28 C ATOM 796 CG1 VAL A 367 91.929 -3.462 -10.969 1.00 2.89 C ATOM 797 CG2 VAL A 367 93.310 -4.430 -9.126 1.00 2.52 C ATOM 0 H VAL A 367 92.438 -6.978 -9.399 1.00 1.75 H new ATOM 0 HA VAL A 367 90.621 -4.755 -8.829 1.00 2.31 H new ATOM 0 HB VAL A 367 92.740 -5.456 -10.936 1.00 2.28 H new ATOM 0 HG11 VAL A 367 92.826 -3.021 -11.405 1.00 2.89 H new ATOM 0 HG12 VAL A 367 91.215 -3.689 -11.760 1.00 2.89 H new ATOM 0 HG13 VAL A 367 91.482 -2.757 -10.268 1.00 2.89 H new ATOM 0 HG21 VAL A 367 94.201 -3.983 -9.566 1.00 2.52 H new ATOM 0 HG22 VAL A 367 92.865 -3.730 -8.419 1.00 2.52 H new ATOM 0 HG23 VAL A 367 93.583 -5.348 -8.605 1.00 2.52 H new ATOM 807 N GLN A 368 90.160 -6.423 -11.624 1.00 2.20 N ATOM 808 CA GLN A 368 89.190 -6.515 -12.757 1.00 2.40 C ATOM 809 C GLN A 368 87.900 -7.224 -12.334 1.00 2.11 C ATOM 810 O GLN A 368 86.833 -6.915 -12.829 1.00 2.30 O ATOM 811 CB GLN A 368 89.903 -7.308 -13.847 1.00 2.46 C ATOM 812 CG GLN A 368 89.073 -7.233 -15.129 1.00 3.09 C ATOM 813 CD GLN A 368 89.852 -7.870 -16.282 1.00 3.29 C ATOM 814 OE1 GLN A 368 91.007 -8.212 -16.134 1.00 3.32 O ATOM 815 NE2 GLN A 368 89.262 -8.042 -17.434 1.00 3.69 N ATOM 0 H GLN A 368 90.950 -7.067 -11.669 1.00 2.20 H new ATOM 0 HA GLN A 368 88.895 -5.524 -13.101 1.00 2.40 H new ATOM 0 HB2 GLN A 368 90.900 -6.903 -14.018 1.00 2.46 H new ATOM 0 HB3 GLN A 368 90.029 -8.346 -13.538 1.00 2.46 H new ATOM 0 HG2 GLN A 368 88.123 -7.749 -14.990 1.00 3.09 H new ATOM 0 HG3 GLN A 368 88.841 -6.194 -15.364 1.00 3.09 H new ATOM 0 HE21 GLN A 368 88.291 -7.754 -17.558 1.00 3.69 H new ATOM 0 HE22 GLN A 368 89.772 -8.464 -18.210 1.00 3.69 H new ATOM 824 N SER A 369 87.951 -8.026 -11.309 1.00 1.80 N ATOM 825 CA SER A 369 86.680 -8.563 -10.744 1.00 1.87 C ATOM 826 C SER A 369 85.957 -7.450 -9.986 1.00 1.79 C ATOM 827 O SER A 369 84.748 -7.347 -10.020 1.00 2.27 O ATOM 828 CB SER A 369 87.091 -9.695 -9.807 1.00 2.47 C ATOM 829 OG SER A 369 85.933 -10.231 -9.181 1.00 3.05 O ATOM 0 H SER A 369 88.805 -8.331 -10.842 1.00 1.80 H new ATOM 0 HA SER A 369 85.998 -8.927 -11.512 1.00 1.87 H new ATOM 0 HB2 SER A 369 87.610 -10.474 -10.365 1.00 2.47 H new ATOM 0 HB3 SER A 369 87.787 -9.325 -9.054 1.00 2.47 H new ATOM 0 HG SER A 369 86.152 -10.503 -8.265 1.00 3.05 H new ATOM 835 N LEU A 370 86.702 -6.522 -9.458 1.00 1.38 N ATOM 836 CA LEU A 370 86.074 -5.303 -8.878 1.00 1.39 C ATOM 837 C LEU A 370 85.870 -4.255 -9.977 1.00 1.12 C ATOM 838 O LEU A 370 85.458 -3.144 -9.712 1.00 1.30 O ATOM 839 CB LEU A 370 87.080 -4.803 -7.844 1.00 1.54 C ATOM 840 CG LEU A 370 87.402 -5.930 -6.861 1.00 1.39 C ATOM 841 CD1 LEU A 370 88.624 -5.544 -6.025 1.00 1.80 C ATOM 842 CD2 LEU A 370 86.204 -6.155 -5.937 1.00 2.14 C ATOM 0 H LEU A 370 87.720 -6.554 -9.403 1.00 1.38 H new ATOM 0 HA LEU A 370 85.098 -5.502 -8.435 1.00 1.39 H new ATOM 0 HB2 LEU A 370 87.991 -4.467 -8.340 1.00 1.54 H new ATOM 0 HB3 LEU A 370 86.673 -3.945 -7.310 1.00 1.54 H new ATOM 0 HG LEU A 370 87.614 -6.845 -7.413 1.00 1.39 H new ATOM 0 HD11 LEU A 370 88.854 -6.347 -5.324 1.00 1.80 H new ATOM 0 HD12 LEU A 370 89.478 -5.381 -6.683 1.00 1.80 H new ATOM 0 HD13 LEU A 370 88.412 -4.629 -5.472 1.00 1.80 H new ATOM 0 HD21 LEU A 370 86.431 -6.958 -5.236 1.00 2.14 H new ATOM 0 HD22 LEU A 370 85.994 -5.239 -5.385 1.00 2.14 H new ATOM 0 HD23 LEU A 370 85.332 -6.429 -6.531 1.00 2.14 H new ATOM 854 N HIS A 371 86.295 -4.552 -11.178 1.00 1.29 N ATOM 855 CA HIS A 371 86.276 -3.515 -12.249 1.00 1.13 C ATOM 856 C HIS A 371 87.122 -2.330 -11.797 1.00 1.00 C ATOM 857 O HIS A 371 86.918 -1.202 -12.202 1.00 1.35 O ATOM 858 CB HIS A 371 84.815 -3.106 -12.383 1.00 1.54 C ATOM 859 CG HIS A 371 83.961 -4.332 -12.549 1.00 1.50 C ATOM 860 ND1 HIS A 371 83.967 -5.086 -13.712 1.00 1.97 N ATOM 861 CD2 HIS A 371 83.070 -4.950 -11.707 1.00 1.80 C ATOM 862 CE1 HIS A 371 83.104 -6.103 -13.540 1.00 2.10 C ATOM 863 NE2 HIS A 371 82.530 -6.068 -12.335 1.00 1.80 N ATOM 0 H HIS A 371 86.653 -5.464 -11.461 1.00 1.29 H new ATOM 0 HA HIS A 371 86.677 -3.873 -13.197 1.00 1.13 H new ATOM 0 HB2 HIS A 371 84.501 -2.548 -11.501 1.00 1.54 H new ATOM 0 HB3 HIS A 371 84.689 -2.444 -13.240 1.00 1.54 H new ATOM 0 HD2 HIS A 371 82.825 -4.619 -10.709 1.00 1.80 H new ATOM 0 HE1 HIS A 371 82.900 -6.857 -14.286 1.00 2.10 H new ATOM 0 HE2 HIS A 371 81.843 -6.720 -11.956 1.00 1.80 H new ATOM 871 N ALA A 372 88.093 -2.604 -10.985 1.00 0.75 N ATOM 872 CA ALA A 372 89.014 -1.541 -10.506 1.00 0.94 C ATOM 873 C ALA A 372 90.151 -1.334 -11.515 1.00 0.90 C ATOM 874 O ALA A 372 90.083 -1.776 -12.645 1.00 1.04 O ATOM 875 CB ALA A 372 89.556 -2.067 -9.178 1.00 1.12 C ATOM 0 H ALA A 372 88.294 -3.537 -10.624 1.00 0.75 H new ATOM 0 HA ALA A 372 88.518 -0.577 -10.391 1.00 0.94 H new ATOM 0 HB1 ALA A 372 90.248 -1.339 -8.754 1.00 1.12 H new ATOM 0 HB2 ALA A 372 88.729 -2.228 -8.486 1.00 1.12 H new ATOM 0 HB3 ALA A 372 90.078 -3.009 -9.346 1.00 1.12 H new ATOM 881 N THR A 373 91.164 -0.615 -11.126 1.00 0.85 N ATOM 882 CA THR A 373 92.285 -0.307 -12.062 1.00 0.95 C ATOM 883 C THR A 373 93.633 -0.469 -11.358 1.00 0.93 C ATOM 884 O THR A 373 93.807 -0.051 -10.236 1.00 0.95 O ATOM 885 CB THR A 373 92.080 1.154 -12.451 1.00 1.32 C ATOM 886 OG1 THR A 373 90.920 1.274 -13.261 1.00 2.11 O ATOM 887 CG2 THR A 373 93.305 1.663 -13.211 1.00 1.90 C ATOM 0 H THR A 373 91.267 -0.222 -10.190 1.00 0.85 H new ATOM 0 HA THR A 373 92.289 -0.975 -12.923 1.00 0.95 H new ATOM 0 HB THR A 373 91.948 1.753 -11.550 1.00 1.32 H new ATOM 0 HG1 THR A 373 90.789 2.213 -13.508 1.00 2.11 H new ATOM 0 HG21 THR A 373 93.154 2.707 -13.487 1.00 1.90 H new ATOM 0 HG22 THR A 373 94.187 1.579 -12.577 1.00 1.90 H new ATOM 0 HG23 THR A 373 93.448 1.067 -14.112 1.00 1.90 H new ATOM 895 N PHE A 374 94.619 -0.946 -12.056 1.00 1.01 N ATOM 896 CA PHE A 374 95.994 -0.982 -11.475 1.00 1.25 C ATOM 897 C PHE A 374 96.727 0.324 -11.809 1.00 1.63 C ATOM 898 O PHE A 374 96.688 0.794 -12.929 1.00 1.61 O ATOM 899 CB PHE A 374 96.694 -2.153 -12.172 1.00 1.33 C ATOM 900 CG PHE A 374 96.098 -3.470 -11.731 1.00 1.63 C ATOM 901 CD1 PHE A 374 96.415 -4.003 -10.472 1.00 2.53 C ATOM 902 CD2 PHE A 374 95.242 -4.171 -12.592 1.00 1.41 C ATOM 903 CE1 PHE A 374 95.876 -5.235 -10.076 1.00 3.09 C ATOM 904 CE2 PHE A 374 94.700 -5.402 -12.195 1.00 1.89 C ATOM 905 CZ PHE A 374 95.018 -5.933 -10.937 1.00 2.72 C ATOM 0 H PHE A 374 94.538 -1.314 -13.004 1.00 1.01 H new ATOM 0 HA PHE A 374 95.980 -1.095 -10.391 1.00 1.25 H new ATOM 0 HB2 PHE A 374 96.599 -2.049 -13.253 1.00 1.33 H new ATOM 0 HB3 PHE A 374 97.759 -2.135 -11.942 1.00 1.33 H new ATOM 0 HD1 PHE A 374 97.074 -3.464 -9.808 1.00 2.53 H new ATOM 0 HD2 PHE A 374 95.000 -3.763 -13.562 1.00 1.41 H new ATOM 0 HE1 PHE A 374 96.122 -5.646 -9.108 1.00 3.09 H new ATOM 0 HE2 PHE A 374 94.038 -5.940 -12.858 1.00 1.89 H new ATOM 0 HZ PHE A 374 94.601 -6.881 -10.631 1.00 2.72 H new ATOM 915 N VAL A 375 97.468 0.866 -10.881 1.00 2.14 N ATOM 916 CA VAL A 375 98.280 2.080 -11.193 1.00 2.61 C ATOM 917 C VAL A 375 99.761 1.702 -11.300 1.00 2.22 C ATOM 918 O VAL A 375 100.360 1.284 -10.328 1.00 1.65 O ATOM 919 CB VAL A 375 98.057 3.028 -10.016 1.00 3.32 C ATOM 920 CG1 VAL A 375 98.617 4.409 -10.359 1.00 4.00 C ATOM 921 CG2 VAL A 375 96.558 3.142 -9.729 1.00 3.65 C ATOM 0 H VAL A 375 97.547 0.523 -9.924 1.00 2.14 H new ATOM 0 HA VAL A 375 97.992 2.537 -12.140 1.00 2.61 H new ATOM 0 HB VAL A 375 98.567 2.638 -9.135 1.00 3.32 H new ATOM 0 HG11 VAL A 375 98.458 5.085 -9.519 1.00 4.00 H new ATOM 0 HG12 VAL A 375 99.685 4.328 -10.562 1.00 4.00 H new ATOM 0 HG13 VAL A 375 98.108 4.799 -11.240 1.00 4.00 H new ATOM 0 HG21 VAL A 375 96.399 3.818 -8.889 1.00 3.65 H new ATOM 0 HG22 VAL A 375 96.047 3.531 -10.610 1.00 3.65 H new ATOM 0 HG23 VAL A 375 96.159 2.158 -9.483 1.00 3.65 H new ATOM 931 N PRO A 376 100.275 1.783 -12.498 1.00 2.87 N ATOM 932 CA PRO A 376 101.672 1.353 -12.765 1.00 2.67 C ATOM 933 C PRO A 376 102.660 2.063 -11.833 1.00 2.48 C ATOM 934 O PRO A 376 102.448 3.185 -11.418 1.00 3.24 O ATOM 935 CB PRO A 376 101.920 1.751 -14.223 1.00 3.84 C ATOM 936 CG PRO A 376 100.760 2.614 -14.621 1.00 4.63 C ATOM 937 CD PRO A 376 99.617 2.281 -13.704 1.00 4.03 C ATOM 0 HA PRO A 376 101.813 0.286 -12.592 1.00 2.67 H new ATOM 0 HB2 PRO A 376 102.861 2.292 -14.325 1.00 3.84 H new ATOM 0 HB3 PRO A 376 101.988 0.870 -14.861 1.00 3.84 H new ATOM 0 HG2 PRO A 376 101.021 3.669 -14.541 1.00 4.63 H new ATOM 0 HG3 PRO A 376 100.484 2.432 -15.660 1.00 4.63 H new ATOM 0 HD2 PRO A 376 99.004 3.157 -13.493 1.00 4.03 H new ATOM 0 HD3 PRO A 376 98.959 1.530 -14.141 1.00 4.03 H new ATOM 945 N PHE A 377 103.759 1.421 -11.542 1.00 2.13 N ATOM 946 CA PHE A 377 104.805 2.051 -10.680 1.00 3.07 C ATOM 947 C PHE A 377 105.886 2.689 -11.559 1.00 3.61 C ATOM 948 O PHE A 377 106.544 2.022 -12.331 1.00 4.10 O ATOM 949 CB PHE A 377 105.383 0.877 -9.876 1.00 3.15 C ATOM 950 CG PHE A 377 106.512 1.345 -8.980 1.00 3.91 C ATOM 951 CD1 PHE A 377 106.754 2.714 -8.792 1.00 4.01 C ATOM 952 CD2 PHE A 377 107.333 0.399 -8.347 1.00 4.73 C ATOM 953 CE1 PHE A 377 107.810 3.136 -7.974 1.00 4.92 C ATOM 954 CE2 PHE A 377 108.390 0.821 -7.529 1.00 5.70 C ATOM 955 CZ PHE A 377 108.628 2.190 -7.344 1.00 5.79 C ATOM 0 H PHE A 377 103.980 0.480 -11.866 1.00 2.13 H new ATOM 0 HA PHE A 377 104.414 2.840 -10.038 1.00 3.07 H new ATOM 0 HB2 PHE A 377 104.598 0.422 -9.272 1.00 3.15 H new ATOM 0 HB3 PHE A 377 105.748 0.108 -10.557 1.00 3.15 H new ATOM 0 HD1 PHE A 377 106.125 3.444 -9.279 1.00 4.01 H new ATOM 0 HD2 PHE A 377 107.150 -0.656 -8.490 1.00 4.73 H new ATOM 0 HE1 PHE A 377 107.993 4.190 -7.829 1.00 4.92 H new ATOM 0 HE2 PHE A 377 109.021 0.092 -7.042 1.00 5.70 H new ATOM 0 HZ PHE A 377 109.443 2.516 -6.715 1.00 5.79 H new ATOM 965 N THR A 378 106.111 3.963 -11.400 1.00 3.85 N ATOM 966 CA THR A 378 107.196 4.629 -12.177 1.00 4.47 C ATOM 967 C THR A 378 108.321 5.057 -11.235 1.00 4.28 C ATOM 968 O THR A 378 108.080 5.476 -10.119 1.00 3.71 O ATOM 969 CB THR A 378 106.535 5.852 -12.817 1.00 4.59 C ATOM 970 OG1 THR A 378 106.269 6.822 -11.814 1.00 4.26 O ATOM 971 CG2 THR A 378 105.225 5.433 -13.486 1.00 5.29 C ATOM 0 H THR A 378 105.592 4.572 -10.767 1.00 3.85 H new ATOM 0 HA THR A 378 107.637 3.970 -12.926 1.00 4.47 H new ATOM 0 HB THR A 378 107.202 6.278 -13.566 1.00 4.59 H new ATOM 0 HG1 THR A 378 105.847 7.607 -12.222 1.00 4.26 H new ATOM 0 HG21 THR A 378 104.754 6.304 -13.942 1.00 5.29 H new ATOM 0 HG22 THR A 378 105.431 4.688 -14.255 1.00 5.29 H new ATOM 0 HG23 THR A 378 104.555 5.008 -12.739 1.00 5.29 H new ATOM 979 N ALA A 379 109.546 4.918 -11.663 1.00 5.01 N ATOM 980 CA ALA A 379 110.694 5.274 -10.782 1.00 5.10 C ATOM 981 C ALA A 379 110.857 6.794 -10.703 1.00 5.05 C ATOM 982 O ALA A 379 111.345 7.323 -9.725 1.00 5.37 O ATOM 983 CB ALA A 379 111.915 4.639 -11.448 1.00 6.13 C ATOM 0 H ALA A 379 109.802 4.572 -12.588 1.00 5.01 H new ATOM 0 HA ALA A 379 110.553 4.919 -9.761 1.00 5.10 H new ATOM 0 HB1 ALA A 379 112.805 4.856 -10.858 1.00 6.13 H new ATOM 0 HB2 ALA A 379 111.775 3.560 -11.510 1.00 6.13 H new ATOM 0 HB3 ALA A 379 112.036 5.048 -12.451 1.00 6.13 H new ATOM 989 N GLN A 380 110.500 7.498 -11.745 1.00 4.87 N ATOM 990 CA GLN A 380 110.695 8.978 -11.735 1.00 4.93 C ATOM 991 C GLN A 380 109.952 9.591 -10.547 1.00 4.05 C ATOM 992 O GLN A 380 110.503 10.368 -9.793 1.00 3.84 O ATOM 993 CB GLN A 380 110.094 9.467 -13.053 1.00 5.65 C ATOM 994 CG GLN A 380 110.877 8.871 -14.226 1.00 6.07 C ATOM 995 CD GLN A 380 110.361 9.465 -15.538 1.00 7.03 C ATOM 996 OE1 GLN A 380 110.761 10.542 -15.930 1.00 7.74 O ATOM 997 NE2 GLN A 380 109.481 8.802 -16.238 1.00 7.22 N ATOM 0 H GLN A 380 110.085 7.117 -12.595 1.00 4.87 H new ATOM 0 HA GLN A 380 111.744 9.259 -11.639 1.00 4.93 H new ATOM 0 HB2 GLN A 380 109.046 9.176 -13.117 1.00 5.65 H new ATOM 0 HB3 GLN A 380 110.125 10.556 -13.097 1.00 5.65 H new ATOM 0 HG2 GLN A 380 111.940 9.082 -14.112 1.00 6.07 H new ATOM 0 HG3 GLN A 380 110.767 7.787 -14.237 1.00 6.07 H new ATOM 0 HE21 GLN A 380 109.145 7.897 -15.909 1.00 7.22 H new ATOM 0 HE22 GLN A 380 109.130 9.189 -17.114 1.00 7.22 H new ATOM 1006 N SER A 381 108.747 9.156 -10.310 1.00 3.64 N ATOM 1007 CA SER A 381 108.015 9.611 -9.096 1.00 3.06 C ATOM 1008 C SER A 381 108.255 8.627 -7.953 1.00 2.42 C ATOM 1009 O SER A 381 107.986 8.915 -6.806 1.00 3.00 O ATOM 1010 CB SER A 381 106.542 9.614 -9.502 1.00 3.49 C ATOM 1011 OG SER A 381 106.091 10.955 -9.626 1.00 3.82 O ATOM 0 H SER A 381 108.236 8.504 -10.905 1.00 3.64 H new ATOM 0 HA SER A 381 108.341 10.592 -8.752 1.00 3.06 H new ATOM 0 HB2 SER A 381 106.412 9.086 -10.447 1.00 3.49 H new ATOM 0 HB3 SER A 381 105.947 9.086 -8.757 1.00 3.49 H new ATOM 0 HG SER A 381 105.147 10.960 -9.888 1.00 3.82 H new ATOM 1017 N ARG A 382 108.707 7.443 -8.272 1.00 1.65 N ATOM 1018 CA ARG A 382 108.901 6.407 -7.219 1.00 1.74 C ATOM 1019 C ARG A 382 107.561 6.098 -6.553 1.00 1.57 C ATOM 1020 O ARG A 382 107.427 6.169 -5.348 1.00 2.08 O ATOM 1021 CB ARG A 382 109.866 7.036 -6.211 1.00 2.53 C ATOM 1022 CG ARG A 382 111.069 7.618 -6.951 1.00 2.69 C ATOM 1023 CD ARG A 382 112.119 8.081 -5.939 1.00 2.89 C ATOM 1024 NE ARG A 382 113.137 8.807 -6.749 1.00 3.36 N ATOM 1025 CZ ARG A 382 114.158 9.378 -6.164 1.00 3.67 C ATOM 1026 NH1 ARG A 382 114.292 9.316 -4.867 1.00 3.72 N ATOM 1027 NH2 ARG A 382 115.045 10.012 -6.880 1.00 4.25 N ATOM 0 H ARG A 382 108.950 7.150 -9.218 1.00 1.65 H new ATOM 0 HA ARG A 382 109.291 5.471 -7.620 1.00 1.74 H new ATOM 0 HB2 ARG A 382 109.359 7.819 -5.647 1.00 2.53 H new ATOM 0 HB3 ARG A 382 110.196 6.287 -5.491 1.00 2.53 H new ATOM 0 HG2 ARG A 382 111.497 6.868 -7.617 1.00 2.69 H new ATOM 0 HG3 ARG A 382 110.755 8.456 -7.574 1.00 2.69 H new ATOM 0 HD2 ARG A 382 111.679 8.731 -5.182 1.00 2.89 H new ATOM 0 HD3 ARG A 382 112.562 7.235 -5.414 1.00 2.89 H new ATOM 0 HE ARG A 382 113.037 8.859 -7.763 1.00 3.36 H new ATOM 0 HH11 ARG A 382 113.599 8.821 -4.306 1.00 3.72 H new ATOM 0 HH12 ARG A 382 115.090 9.763 -4.415 1.00 3.72 H new ATOM 0 HH21 ARG A 382 114.941 10.062 -7.894 1.00 4.25 H new ATOM 0 HH22 ARG A 382 115.842 10.458 -6.426 1.00 4.25 H new ATOM 1041 N MET A 383 106.552 5.796 -7.328 1.00 1.27 N ATOM 1042 CA MET A 383 105.219 5.533 -6.721 1.00 1.19 C ATOM 1043 C MET A 383 104.410 4.555 -7.567 1.00 1.07 C ATOM 1044 O MET A 383 104.440 4.580 -8.782 1.00 1.14 O ATOM 1045 CB MET A 383 104.517 6.888 -6.671 1.00 1.32 C ATOM 1046 CG MET A 383 105.242 7.811 -5.691 1.00 1.51 C ATOM 1047 SD MET A 383 104.217 9.264 -5.361 1.00 2.09 S ATOM 1048 CE MET A 383 103.872 9.692 -7.084 1.00 1.57 C ATOM 0 H MET A 383 106.594 5.721 -8.344 1.00 1.27 H new ATOM 0 HA MET A 383 105.319 5.084 -5.733 1.00 1.19 H new ATOM 0 HB2 MET A 383 104.502 7.337 -7.664 1.00 1.32 H new ATOM 0 HB3 MET A 383 103.479 6.759 -6.364 1.00 1.32 H new ATOM 0 HG2 MET A 383 105.450 7.281 -4.762 1.00 1.51 H new ATOM 0 HG3 MET A 383 106.203 8.117 -6.106 1.00 1.51 H new ATOM 0 HE1 MET A 383 102.868 10.110 -7.161 1.00 1.57 H new ATOM 0 HE2 MET A 383 104.599 10.428 -7.429 1.00 1.57 H new ATOM 0 HE3 MET A 383 103.941 8.797 -7.702 1.00 1.57 H new ATOM 1058 N SER A 384 103.579 3.803 -6.915 1.00 0.97 N ATOM 1059 CA SER A 384 102.616 2.922 -7.619 1.00 1.02 C ATOM 1060 C SER A 384 101.348 2.847 -6.775 1.00 0.93 C ATOM 1061 O SER A 384 101.322 3.322 -5.662 1.00 0.83 O ATOM 1062 CB SER A 384 103.302 1.561 -7.684 1.00 1.23 C ATOM 1063 OG SER A 384 103.199 0.922 -6.418 1.00 1.18 O ATOM 0 H SER A 384 103.525 3.761 -5.897 1.00 0.97 H new ATOM 0 HA SER A 384 102.346 3.273 -8.615 1.00 1.02 H new ATOM 0 HB2 SER A 384 102.839 0.944 -8.454 1.00 1.23 H new ATOM 0 HB3 SER A 384 104.350 1.682 -7.959 1.00 1.23 H new ATOM 0 HG SER A 384 104.054 0.499 -6.195 1.00 1.18 H new ATOM 1069 N GLY A 385 100.289 2.298 -7.281 1.00 1.02 N ATOM 1070 CA GLY A 385 99.045 2.262 -6.465 1.00 1.00 C ATOM 1071 C GLY A 385 97.954 1.508 -7.202 1.00 0.95 C ATOM 1072 O GLY A 385 98.193 0.795 -8.154 1.00 1.13 O ATOM 0 H GLY A 385 100.225 1.878 -8.208 1.00 1.02 H new ATOM 0 HA2 GLY A 385 99.244 1.782 -5.507 1.00 1.00 H new ATOM 0 HA3 GLY A 385 98.713 3.278 -6.250 1.00 1.00 H new ATOM 1076 N ILE A 386 96.756 1.654 -6.744 1.00 0.80 N ATOM 1077 CA ILE A 386 95.615 0.954 -7.370 1.00 0.78 C ATOM 1078 C ILE A 386 94.355 1.784 -7.170 1.00 0.77 C ATOM 1079 O ILE A 386 94.195 2.452 -6.170 1.00 0.80 O ATOM 1080 CB ILE A 386 95.522 -0.368 -6.618 1.00 0.81 C ATOM 1081 CG1 ILE A 386 94.200 -1.056 -6.937 1.00 0.86 C ATOM 1082 CG2 ILE A 386 95.598 -0.116 -5.115 1.00 0.84 C ATOM 1083 CD1 ILE A 386 94.165 -2.380 -6.187 1.00 1.26 C ATOM 0 H ILE A 386 96.512 2.241 -5.946 1.00 0.80 H new ATOM 0 HA ILE A 386 95.734 0.799 -8.442 1.00 0.78 H new ATOM 0 HB ILE A 386 96.351 -1.005 -6.927 1.00 0.81 H new ATOM 0 HG12 ILE A 386 93.361 -0.427 -6.639 1.00 0.86 H new ATOM 0 HG13 ILE A 386 94.107 -1.223 -8.010 1.00 0.86 H new ATOM 0 HG21 ILE A 386 95.531 -1.065 -4.583 1.00 0.84 H new ATOM 0 HG22 ILE A 386 96.544 0.369 -4.875 1.00 0.84 H new ATOM 0 HG23 ILE A 386 94.773 0.529 -4.812 1.00 0.84 H new ATOM 0 HD11 ILE A 386 93.227 -2.893 -6.399 1.00 1.26 H new ATOM 0 HD12 ILE A 386 95.000 -3.003 -6.509 1.00 1.26 H new ATOM 0 HD13 ILE A 386 94.243 -2.194 -5.116 1.00 1.26 H new ATOM 1095 N ASN A 387 93.436 1.705 -8.074 1.00 0.78 N ATOM 1096 CA ASN A 387 92.159 2.441 -7.892 1.00 0.83 C ATOM 1097 C ASN A 387 91.011 1.444 -7.943 1.00 0.92 C ATOM 1098 O ASN A 387 91.012 0.542 -8.748 1.00 0.86 O ATOM 1099 CB ASN A 387 92.072 3.410 -9.074 1.00 0.91 C ATOM 1100 CG ASN A 387 93.429 4.073 -9.298 1.00 1.31 C ATOM 1101 OD1 ASN A 387 94.197 4.312 -8.275 1.00 2.04 O flip ATOM 1102 ND2 ASN A 387 93.795 4.374 -10.416 1.00 1.81 N flip ATOM 0 H ASN A 387 93.508 1.163 -8.935 1.00 0.78 H new ATOM 0 HA ASN A 387 92.109 2.972 -6.941 1.00 0.83 H new ATOM 0 HB2 ASN A 387 91.765 2.875 -9.973 1.00 0.91 H new ATOM 0 HB3 ASN A 387 91.314 4.168 -8.880 1.00 0.91 H new ATOM 0 HD21 ASN A 387 93.193 4.186 -11.218 1.00 1.81 H new ATOM 0 HD22 ASN A 387 94.705 4.814 -10.554 1.00 1.81 H new ATOM 1109 N ILE A 388 90.001 1.625 -7.157 1.00 1.18 N ATOM 1110 CA ILE A 388 88.840 0.705 -7.266 1.00 1.31 C ATOM 1111 C ILE A 388 87.545 1.464 -7.012 1.00 1.70 C ATOM 1112 O ILE A 388 87.554 2.605 -6.595 1.00 1.89 O ATOM 1113 CB ILE A 388 89.071 -0.358 -6.201 1.00 1.24 C ATOM 1114 CG1 ILE A 388 87.920 -1.364 -6.228 1.00 1.66 C ATOM 1115 CG2 ILE A 388 89.133 0.311 -4.833 1.00 1.50 C ATOM 1116 CD1 ILE A 388 88.414 -2.712 -5.705 1.00 2.11 C ATOM 0 H ILE A 388 89.923 2.358 -6.451 1.00 1.18 H new ATOM 0 HA ILE A 388 88.753 0.262 -8.258 1.00 1.31 H new ATOM 0 HB ILE A 388 90.009 -0.878 -6.397 1.00 1.24 H new ATOM 0 HG12 ILE A 388 87.093 -1.004 -5.615 1.00 1.66 H new ATOM 0 HG13 ILE A 388 87.540 -1.472 -7.244 1.00 1.66 H new ATOM 0 HG21 ILE A 388 89.298 -0.445 -4.065 1.00 1.50 H new ATOM 0 HG22 ILE A 388 89.952 1.030 -4.816 1.00 1.50 H new ATOM 0 HG23 ILE A 388 88.193 0.827 -4.637 1.00 1.50 H new ATOM 0 HD11 ILE A 388 87.595 -3.431 -5.723 1.00 2.11 H new ATOM 0 HD12 ILE A 388 89.227 -3.071 -6.336 1.00 2.11 H new ATOM 0 HD13 ILE A 388 88.773 -2.596 -4.682 1.00 2.11 H new ATOM 1128 N ASP A 389 86.439 0.887 -7.383 1.00 1.97 N ATOM 1129 CA ASP A 389 85.144 1.624 -7.322 1.00 2.37 C ATOM 1130 C ASP A 389 84.729 2.019 -5.889 1.00 2.14 C ATOM 1131 O ASP A 389 83.667 2.574 -5.692 1.00 2.92 O ATOM 1132 CB ASP A 389 84.139 0.628 -7.892 1.00 2.65 C ATOM 1133 CG ASP A 389 84.366 0.476 -9.397 1.00 3.31 C ATOM 1134 OD1 ASP A 389 85.136 1.249 -9.941 1.00 3.63 O ATOM 1135 OD2 ASP A 389 83.767 -0.414 -9.979 1.00 3.85 O ATOM 0 H ASP A 389 86.374 -0.070 -7.729 1.00 1.97 H new ATOM 0 HA ASP A 389 85.207 2.567 -7.866 1.00 2.37 H new ATOM 0 HB2 ASP A 389 84.248 -0.337 -7.398 1.00 2.65 H new ATOM 0 HB3 ASP A 389 83.122 0.971 -7.700 1.00 2.65 H new ATOM 1140 N ASN A 390 85.568 1.836 -4.900 1.00 1.20 N ATOM 1141 CA ASN A 390 85.205 2.318 -3.536 1.00 1.12 C ATOM 1142 C ASN A 390 86.428 2.894 -2.800 1.00 0.97 C ATOM 1143 O ASN A 390 86.343 3.244 -1.640 1.00 1.15 O ATOM 1144 CB ASN A 390 84.684 1.078 -2.809 1.00 1.13 C ATOM 1145 CG ASN A 390 83.961 1.500 -1.530 1.00 1.53 C ATOM 1146 OD1 ASN A 390 82.982 2.220 -1.580 1.00 2.33 O ATOM 1147 ND2 ASN A 390 84.402 1.081 -0.375 1.00 1.89 N ATOM 0 H ASN A 390 86.477 1.379 -4.978 1.00 1.20 H new ATOM 0 HA ASN A 390 84.469 3.121 -3.577 1.00 1.12 H new ATOM 0 HB2 ASN A 390 84.005 0.523 -3.456 1.00 1.13 H new ATOM 0 HB3 ASN A 390 85.512 0.411 -2.568 1.00 1.13 H new ATOM 0 HD21 ASN A 390 83.926 1.357 0.484 1.00 1.89 H new ATOM 0 HD22 ASN A 390 85.223 0.477 -0.331 1.00 1.89 H new ATOM 1154 N ARG A 391 87.588 2.887 -3.412 1.00 0.83 N ATOM 1155 CA ARG A 391 88.811 3.310 -2.670 1.00 0.73 C ATOM 1156 C ARG A 391 89.909 3.765 -3.635 1.00 0.74 C ATOM 1157 O ARG A 391 90.016 3.270 -4.736 1.00 1.10 O ATOM 1158 CB ARG A 391 89.270 2.061 -1.912 1.00 0.94 C ATOM 1159 CG ARG A 391 88.231 1.686 -0.853 1.00 1.05 C ATOM 1160 CD ARG A 391 88.797 0.589 0.053 1.00 1.30 C ATOM 1161 NE ARG A 391 89.208 -0.503 -0.874 1.00 1.92 N ATOM 1162 CZ ARG A 391 90.071 -1.404 -0.485 1.00 2.13 C ATOM 1163 NH1 ARG A 391 90.576 -1.357 0.719 1.00 2.15 N ATOM 1164 NH2 ARG A 391 90.430 -2.356 -1.303 1.00 2.69 N ATOM 0 H ARG A 391 87.738 2.610 -4.382 1.00 0.83 H new ATOM 0 HA ARG A 391 88.605 4.150 -2.007 1.00 0.73 H new ATOM 0 HB2 ARG A 391 89.409 1.233 -2.607 1.00 0.94 H new ATOM 0 HB3 ARG A 391 90.235 2.245 -1.439 1.00 0.94 H new ATOM 0 HG2 ARG A 391 87.968 2.562 -0.260 1.00 1.05 H new ATOM 0 HG3 ARG A 391 87.316 1.340 -1.333 1.00 1.05 H new ATOM 0 HD2 ARG A 391 89.645 0.954 0.633 1.00 1.30 H new ATOM 0 HD3 ARG A 391 88.049 0.241 0.766 1.00 1.30 H new ATOM 0 HE ARG A 391 88.815 -0.547 -1.814 1.00 1.92 H new ATOM 0 HH11 ARG A 391 90.297 -0.615 1.360 1.00 2.15 H new ATOM 0 HH12 ARG A 391 91.249 -2.063 1.018 1.00 2.15 H new ATOM 0 HH21 ARG A 391 90.037 -2.395 -2.243 1.00 2.69 H new ATOM 0 HH22 ARG A 391 91.103 -3.060 -1.002 1.00 2.69 H new ATOM 1178 N MET A 392 90.858 4.508 -3.138 1.00 0.48 N ATOM 1179 CA MET A 392 92.098 4.755 -3.929 1.00 0.51 C ATOM 1180 C MET A 392 93.320 4.460 -3.052 1.00 0.48 C ATOM 1181 O MET A 392 93.339 4.787 -1.882 1.00 0.52 O ATOM 1182 CB MET A 392 92.045 6.235 -4.310 1.00 0.59 C ATOM 1183 CG MET A 392 90.825 6.491 -5.196 1.00 1.14 C ATOM 1184 SD MET A 392 90.872 8.195 -5.808 1.00 1.31 S ATOM 1185 CE MET A 392 92.236 7.978 -6.977 1.00 2.02 C ATOM 0 H MET A 392 90.830 4.954 -2.221 1.00 0.48 H new ATOM 0 HA MET A 392 92.169 4.123 -4.814 1.00 0.51 H new ATOM 0 HB2 MET A 392 91.991 6.851 -3.412 1.00 0.59 H new ATOM 0 HB3 MET A 392 92.956 6.519 -4.837 1.00 0.59 H new ATOM 0 HG2 MET A 392 90.817 5.793 -6.033 1.00 1.14 H new ATOM 0 HG3 MET A 392 89.909 6.321 -4.630 1.00 1.14 H new ATOM 0 HE1 MET A 392 91.950 8.382 -7.948 1.00 2.02 H new ATOM 0 HE2 MET A 392 93.117 8.504 -6.610 1.00 2.02 H new ATOM 0 HE3 MET A 392 92.463 6.917 -7.078 1.00 2.02 H new ATOM 1195 N ILE A 393 94.345 3.863 -3.597 1.00 0.45 N ATOM 1196 CA ILE A 393 95.554 3.580 -2.769 1.00 0.45 C ATOM 1197 C ILE A 393 96.816 4.036 -3.506 1.00 0.50 C ATOM 1198 O ILE A 393 96.973 3.788 -4.683 1.00 0.60 O ATOM 1199 CB ILE A 393 95.560 2.061 -2.577 1.00 0.43 C ATOM 1200 CG1 ILE A 393 94.201 1.609 -2.037 1.00 1.21 C ATOM 1201 CG2 ILE A 393 96.659 1.681 -1.580 1.00 0.98 C ATOM 1202 CD1 ILE A 393 94.060 2.032 -0.575 1.00 1.68 C ATOM 0 H ILE A 393 94.399 3.561 -4.570 1.00 0.45 H new ATOM 0 HA ILE A 393 95.535 4.108 -1.816 1.00 0.45 H new ATOM 0 HB ILE A 393 95.750 1.573 -3.533 1.00 0.43 H new ATOM 0 HG12 ILE A 393 93.399 2.047 -2.631 1.00 1.21 H new ATOM 0 HG13 ILE A 393 94.107 0.527 -2.123 1.00 1.21 H new ATOM 0 HG21 ILE A 393 96.666 0.600 -1.441 1.00 0.98 H new ATOM 0 HG22 ILE A 393 97.627 2.004 -1.964 1.00 0.98 H new ATOM 0 HG23 ILE A 393 96.468 2.169 -0.624 1.00 0.98 H new ATOM 0 HD11 ILE A 393 93.091 1.708 -0.194 1.00 1.68 H new ATOM 0 HD12 ILE A 393 94.853 1.573 0.015 1.00 1.68 H new ATOM 0 HD13 ILE A 393 94.135 3.117 -0.501 1.00 1.68 H new ATOM 1214 N ARG A 394 97.754 4.615 -2.807 1.00 0.63 N ATOM 1215 CA ARG A 394 99.043 4.984 -3.464 1.00 0.72 C ATOM 1216 C ARG A 394 100.216 4.748 -2.508 1.00 0.60 C ATOM 1217 O ARG A 394 100.101 4.918 -1.314 1.00 0.54 O ATOM 1218 CB ARG A 394 98.910 6.467 -3.804 1.00 0.78 C ATOM 1219 CG ARG A 394 99.964 6.848 -4.846 1.00 1.27 C ATOM 1220 CD ARG A 394 99.629 6.167 -6.175 1.00 1.04 C ATOM 1221 NE ARG A 394 100.696 6.607 -7.117 1.00 1.47 N ATOM 1222 CZ ARG A 394 100.636 7.787 -7.674 1.00 1.92 C ATOM 1223 NH1 ARG A 394 99.654 8.601 -7.392 1.00 2.78 N ATOM 1224 NH2 ARG A 394 101.564 8.157 -8.513 1.00 2.09 N ATOM 0 H ARG A 394 97.686 4.848 -1.816 1.00 0.63 H new ATOM 0 HA ARG A 394 99.238 4.383 -4.352 1.00 0.72 H new ATOM 0 HB2 ARG A 394 97.911 6.675 -4.188 1.00 0.78 H new ATOM 0 HB3 ARG A 394 99.037 7.070 -2.905 1.00 0.78 H new ATOM 0 HG2 ARG A 394 99.990 7.930 -4.975 1.00 1.27 H new ATOM 0 HG3 ARG A 394 100.954 6.543 -4.507 1.00 1.27 H new ATOM 0 HD2 ARG A 394 99.619 5.082 -6.070 1.00 1.04 H new ATOM 0 HD3 ARG A 394 98.642 6.462 -6.531 1.00 1.04 H new ATOM 0 HE ARG A 394 101.476 5.985 -7.328 1.00 1.47 H new ATOM 0 HH11 ARG A 394 98.929 8.316 -6.734 1.00 2.78 H new ATOM 0 HH12 ARG A 394 99.613 9.521 -7.830 1.00 2.78 H new ATOM 0 HH21 ARG A 394 102.334 7.525 -8.733 1.00 2.09 H new ATOM 0 HH22 ARG A 394 101.519 9.078 -8.949 1.00 2.09 H new ATOM 1238 N LYS A 395 101.337 4.333 -3.028 1.00 0.63 N ATOM 1239 CA LYS A 395 102.522 4.052 -2.166 1.00 0.58 C ATOM 1240 C LYS A 395 103.807 4.389 -2.929 1.00 0.60 C ATOM 1241 O LYS A 395 103.886 4.197 -4.121 1.00 0.68 O ATOM 1242 CB LYS A 395 102.453 2.552 -1.886 1.00 0.72 C ATOM 1243 CG LYS A 395 103.382 2.197 -0.725 1.00 0.80 C ATOM 1244 CD LYS A 395 104.767 1.860 -1.272 1.00 1.11 C ATOM 1245 CE LYS A 395 104.661 0.668 -2.223 1.00 1.15 C ATOM 1246 NZ LYS A 395 106.026 0.079 -2.240 1.00 1.57 N ATOM 0 H LYS A 395 101.486 4.174 -4.025 1.00 0.63 H new ATOM 0 HA LYS A 395 102.523 4.641 -1.249 1.00 0.58 H new ATOM 0 HB2 LYS A 395 101.429 2.265 -1.645 1.00 0.72 H new ATOM 0 HB3 LYS A 395 102.740 1.993 -2.777 1.00 0.72 H new ATOM 0 HG2 LYS A 395 103.447 3.032 -0.028 1.00 0.80 H new ATOM 0 HG3 LYS A 395 102.981 1.349 -0.170 1.00 0.80 H new ATOM 0 HD2 LYS A 395 105.183 2.721 -1.795 1.00 1.11 H new ATOM 0 HD3 LYS A 395 105.447 1.626 -0.453 1.00 1.11 H new ATOM 0 HE2 LYS A 395 103.922 -0.053 -1.874 1.00 1.15 H new ATOM 0 HE3 LYS A 395 104.353 0.983 -3.220 1.00 1.15 H new ATOM 0 HZ1 LYS A 395 106.028 -0.777 -2.831 1.00 1.57 H new ATOM 0 HZ2 LYS A 395 106.698 0.771 -2.630 1.00 1.57 H new ATOM 0 HZ3 LYS A 395 106.309 -0.169 -1.271 1.00 1.57 H new ATOM 1260 N GLY A 396 104.828 4.839 -2.255 1.00 0.56 N ATOM 1261 CA GLY A 396 106.110 5.118 -2.971 1.00 0.60 C ATOM 1262 C GLY A 396 107.121 5.770 -2.030 1.00 0.55 C ATOM 1263 O GLY A 396 107.138 5.512 -0.844 1.00 0.82 O ATOM 0 H GLY A 396 104.835 5.025 -1.252 1.00 0.56 H new ATOM 0 HA2 GLY A 396 106.521 4.190 -3.368 1.00 0.60 H new ATOM 0 HA3 GLY A 396 105.922 5.773 -3.822 1.00 0.60 H new ATOM 1267 N SER A 397 108.003 6.574 -2.564 1.00 0.50 N ATOM 1268 CA SER A 397 109.058 7.194 -1.712 1.00 0.60 C ATOM 1269 C SER A 397 108.454 8.251 -0.787 1.00 0.48 C ATOM 1270 O SER A 397 107.380 8.764 -1.028 1.00 0.61 O ATOM 1271 CB SER A 397 110.059 7.819 -2.687 1.00 0.91 C ATOM 1272 OG SER A 397 110.965 6.819 -3.132 1.00 1.17 O ATOM 0 H SER A 397 108.038 6.827 -3.551 1.00 0.50 H new ATOM 0 HA SER A 397 109.539 6.461 -1.065 1.00 0.60 H new ATOM 0 HB2 SER A 397 109.533 8.255 -3.537 1.00 0.91 H new ATOM 0 HB3 SER A 397 110.603 8.628 -2.200 1.00 0.91 H new ATOM 0 HG SER A 397 111.831 7.230 -3.336 1.00 1.17 H new ATOM 1278 N VAL A 398 109.100 8.519 0.315 1.00 0.53 N ATOM 1279 CA VAL A 398 108.521 9.470 1.305 1.00 0.47 C ATOM 1280 C VAL A 398 108.338 10.845 0.669 1.00 0.51 C ATOM 1281 O VAL A 398 107.249 11.377 0.635 1.00 0.51 O ATOM 1282 CB VAL A 398 109.543 9.537 2.434 1.00 0.46 C ATOM 1283 CG1 VAL A 398 109.075 10.548 3.482 1.00 0.50 C ATOM 1284 CG2 VAL A 398 109.670 8.157 3.075 1.00 0.51 C ATOM 0 H VAL A 398 110.003 8.121 0.572 1.00 0.53 H new ATOM 0 HA VAL A 398 107.541 9.150 1.660 1.00 0.47 H new ATOM 0 HB VAL A 398 110.510 9.848 2.039 1.00 0.46 H new ATOM 0 HG11 VAL A 398 109.804 10.598 4.291 1.00 0.50 H new ATOM 0 HG12 VAL A 398 108.977 11.531 3.021 1.00 0.50 H new ATOM 0 HG13 VAL A 398 108.110 10.237 3.882 1.00 0.50 H new ATOM 0 HG21 VAL A 398 110.400 8.197 3.884 1.00 0.51 H new ATOM 0 HG22 VAL A 398 108.703 7.851 3.474 1.00 0.51 H new ATOM 0 HG23 VAL A 398 109.998 7.437 2.326 1.00 0.51 H new ATOM 1294 N ASP A 399 109.350 11.352 0.027 1.00 0.55 N ATOM 1295 CA ASP A 399 109.160 12.601 -0.756 1.00 0.62 C ATOM 1296 C ASP A 399 108.081 12.364 -1.810 1.00 0.64 C ATOM 1297 O ASP A 399 107.255 13.212 -2.080 1.00 0.64 O ATOM 1298 CB ASP A 399 110.512 12.870 -1.417 1.00 0.71 C ATOM 1299 CG ASP A 399 110.489 14.245 -2.088 1.00 1.10 C ATOM 1300 OD1 ASP A 399 109.512 14.953 -1.909 1.00 1.59 O ATOM 1301 OD2 ASP A 399 111.448 14.565 -2.770 1.00 1.46 O ATOM 0 H ASP A 399 110.292 10.960 0.010 1.00 0.55 H new ATOM 0 HA ASP A 399 108.845 13.445 -0.142 1.00 0.62 H new ATOM 0 HB2 ASP A 399 111.307 12.831 -0.672 1.00 0.71 H new ATOM 0 HB3 ASP A 399 110.728 12.097 -2.155 1.00 0.71 H new ATOM 1306 N ALA A 400 108.065 11.193 -2.381 1.00 0.70 N ATOM 1307 CA ALA A 400 107.027 10.868 -3.396 1.00 0.76 C ATOM 1308 C ALA A 400 105.623 10.946 -2.782 1.00 0.72 C ATOM 1309 O ALA A 400 104.734 11.566 -3.330 1.00 0.75 O ATOM 1310 CB ALA A 400 107.348 9.437 -3.830 1.00 0.85 C ATOM 0 H ALA A 400 108.730 10.444 -2.187 1.00 0.70 H new ATOM 0 HA ALA A 400 107.035 11.566 -4.233 1.00 0.76 H new ATOM 0 HB1 ALA A 400 106.628 9.115 -4.582 1.00 0.85 H new ATOM 0 HB2 ALA A 400 108.353 9.401 -4.251 1.00 0.85 H new ATOM 0 HB3 ALA A 400 107.293 8.774 -2.967 1.00 0.85 H new ATOM 1316 N ILE A 401 105.393 10.286 -1.677 1.00 0.67 N ATOM 1317 CA ILE A 401 104.021 10.295 -1.091 1.00 0.66 C ATOM 1318 C ILE A 401 103.639 11.694 -0.600 1.00 0.59 C ATOM 1319 O ILE A 401 102.514 12.120 -0.744 1.00 0.64 O ATOM 1320 CB ILE A 401 104.074 9.307 0.074 1.00 0.64 C ATOM 1321 CG1 ILE A 401 104.446 7.916 -0.449 1.00 0.81 C ATOM 1322 CG2 ILE A 401 102.706 9.245 0.754 1.00 0.68 C ATOM 1323 CD1 ILE A 401 103.601 7.585 -1.681 1.00 0.62 C ATOM 0 H ILE A 401 106.088 9.747 -1.160 1.00 0.67 H new ATOM 0 HA ILE A 401 103.268 10.016 -1.828 1.00 0.66 H new ATOM 0 HB ILE A 401 104.824 9.637 0.793 1.00 0.64 H new ATOM 0 HG12 ILE A 401 105.505 7.884 -0.703 1.00 0.81 H new ATOM 0 HG13 ILE A 401 104.282 7.169 0.328 1.00 0.81 H new ATOM 0 HG21 ILE A 401 102.744 8.540 1.585 1.00 0.68 H new ATOM 0 HG22 ILE A 401 102.441 10.234 1.129 1.00 0.68 H new ATOM 0 HG23 ILE A 401 101.956 8.917 0.034 1.00 0.68 H new ATOM 0 HD11 ILE A 401 103.868 6.595 -2.050 1.00 0.62 H new ATOM 0 HD12 ILE A 401 102.545 7.599 -1.412 1.00 0.62 H new ATOM 0 HD13 ILE A 401 103.787 8.325 -2.459 1.00 0.62 H new ATOM 1335 N ARG A 402 104.562 12.422 -0.040 1.00 0.50 N ATOM 1336 CA ARG A 402 104.229 13.796 0.433 1.00 0.47 C ATOM 1337 C ARG A 402 103.730 14.649 -0.739 1.00 0.54 C ATOM 1338 O ARG A 402 102.759 15.367 -0.625 1.00 0.62 O ATOM 1339 CB ARG A 402 105.538 14.355 0.989 1.00 0.44 C ATOM 1340 CG ARG A 402 105.280 15.723 1.622 1.00 1.17 C ATOM 1341 CD ARG A 402 106.599 16.309 2.130 1.00 1.24 C ATOM 1342 NE ARG A 402 106.215 17.558 2.846 1.00 1.71 N ATOM 1343 CZ ARG A 402 107.123 18.450 3.142 1.00 2.17 C ATOM 1344 NH1 ARG A 402 108.372 18.256 2.813 1.00 2.62 N ATOM 1345 NH2 ARG A 402 106.779 19.542 3.771 1.00 2.61 N ATOM 0 H ARG A 402 105.527 12.129 0.111 1.00 0.50 H new ATOM 0 HA ARG A 402 103.439 13.795 1.184 1.00 0.47 H new ATOM 0 HB2 ARG A 402 105.952 13.672 1.730 1.00 0.44 H new ATOM 0 HB3 ARG A 402 106.275 14.445 0.191 1.00 0.44 H new ATOM 0 HG2 ARG A 402 104.830 16.394 0.891 1.00 1.17 H new ATOM 0 HG3 ARG A 402 104.572 15.627 2.445 1.00 1.17 H new ATOM 0 HD2 ARG A 402 107.110 15.613 2.796 1.00 1.24 H new ATOM 0 HD3 ARG A 402 107.281 16.520 1.306 1.00 1.24 H new ATOM 0 HE ARG A 402 105.242 17.717 3.106 1.00 1.71 H new ATOM 0 HH11 ARG A 402 108.644 17.404 2.322 1.00 2.62 H new ATOM 0 HH12 ARG A 402 109.076 18.956 3.047 1.00 2.62 H new ATOM 0 HH21 ARG A 402 105.804 19.696 4.029 1.00 2.61 H new ATOM 0 HH22 ARG A 402 107.485 20.240 4.004 1.00 2.61 H new ATOM 1359 N ARG A 403 104.365 14.549 -1.874 1.00 0.54 N ATOM 1360 CA ARG A 403 103.900 15.329 -3.056 1.00 0.62 C ATOM 1361 C ARG A 403 102.535 14.828 -3.539 1.00 0.72 C ATOM 1362 O ARG A 403 101.673 15.603 -3.901 1.00 0.82 O ATOM 1363 CB ARG A 403 104.964 15.106 -4.123 1.00 0.63 C ATOM 1364 CG ARG A 403 106.274 15.729 -3.649 1.00 0.83 C ATOM 1365 CD ARG A 403 107.156 16.014 -4.860 1.00 0.96 C ATOM 1366 NE ARG A 403 108.470 16.425 -4.293 1.00 1.38 N ATOM 1367 CZ ARG A 403 109.383 16.954 -5.066 1.00 2.01 C ATOM 1368 NH1 ARG A 403 109.148 17.126 -6.339 1.00 2.48 N ATOM 1369 NH2 ARG A 403 110.533 17.313 -4.562 1.00 2.46 N ATOM 0 H ARG A 403 105.184 13.962 -2.034 1.00 0.54 H new ATOM 0 HA ARG A 403 103.773 16.386 -2.820 1.00 0.62 H new ATOM 0 HB2 ARG A 403 105.098 14.040 -4.306 1.00 0.63 H new ATOM 0 HB3 ARG A 403 104.652 15.554 -5.066 1.00 0.63 H new ATOM 0 HG2 ARG A 403 106.076 16.651 -3.102 1.00 0.83 H new ATOM 0 HG3 ARG A 403 106.785 15.054 -2.962 1.00 0.83 H new ATOM 0 HD2 ARG A 403 107.257 15.131 -5.491 1.00 0.96 H new ATOM 0 HD3 ARG A 403 106.731 16.802 -5.481 1.00 0.96 H new ATOM 0 HE ARG A 403 108.659 16.294 -3.299 1.00 1.38 H new ATOM 0 HH11 ARG A 403 108.250 16.847 -6.734 1.00 2.48 H new ATOM 0 HH12 ARG A 403 109.863 17.539 -6.938 1.00 2.48 H new ATOM 0 HH21 ARG A 403 110.718 17.181 -3.568 1.00 2.46 H new ATOM 0 HH22 ARG A 403 111.247 17.726 -5.163 1.00 2.46 H new ATOM 1383 N HIS A 404 102.308 13.544 -3.494 1.00 0.74 N ATOM 1384 CA HIS A 404 100.973 13.016 -3.899 1.00 0.86 C ATOM 1385 C HIS A 404 99.883 13.521 -2.947 1.00 0.84 C ATOM 1386 O HIS A 404 98.804 13.895 -3.363 1.00 0.94 O ATOM 1387 CB HIS A 404 101.108 11.497 -3.813 1.00 0.92 C ATOM 1388 CG HIS A 404 99.830 10.852 -4.279 1.00 1.32 C ATOM 1389 ND1 HIS A 404 98.894 10.091 -3.622 1.00 1.39 N flip ATOM 1390 CD2 HIS A 404 99.381 10.960 -5.586 1.00 2.29 C flip ATOM 1391 CE1 HIS A 404 97.881 9.731 -4.505 1.00 1.88 C flip ATOM 1392 NE2 HIS A 404 98.224 10.279 -5.674 1.00 2.43 N flip ATOM 0 H HIS A 404 102.984 12.841 -3.196 1.00 0.74 H new ATOM 0 HA HIS A 404 100.686 13.344 -4.898 1.00 0.86 H new ATOM 0 HB2 HIS A 404 101.943 11.160 -4.427 1.00 0.92 H new ATOM 0 HB3 HIS A 404 101.326 11.198 -2.788 1.00 0.92 H new ATOM 0 HD2 HIS A 404 99.871 11.493 -6.387 1.00 2.29 H new ATOM 0 HE1 HIS A 404 97.005 9.136 -4.291 1.00 1.88 H new ATOM 0 HE2 HIS A 404 97.675 10.192 -6.529 1.00 2.43 H new ATOM 1400 N VAL A 405 100.169 13.582 -1.677 1.00 0.76 N ATOM 1401 CA VAL A 405 99.163 14.109 -0.714 1.00 0.79 C ATOM 1402 C VAL A 405 98.882 15.590 -0.989 1.00 0.85 C ATOM 1403 O VAL A 405 97.750 16.024 -0.985 1.00 0.94 O ATOM 1404 CB VAL A 405 99.799 13.926 0.664 1.00 0.76 C ATOM 1405 CG1 VAL A 405 98.885 14.524 1.734 1.00 0.80 C ATOM 1406 CG2 VAL A 405 100.001 12.435 0.938 1.00 0.76 C ATOM 0 H VAL A 405 101.055 13.290 -1.264 1.00 0.76 H new ATOM 0 HA VAL A 405 98.207 13.590 -0.793 1.00 0.79 H new ATOM 0 HB VAL A 405 100.763 14.434 0.689 1.00 0.76 H new ATOM 0 HG11 VAL A 405 99.340 14.393 2.716 1.00 0.80 H new ATOM 0 HG12 VAL A 405 98.743 15.587 1.539 1.00 0.80 H new ATOM 0 HG13 VAL A 405 97.919 14.019 1.711 1.00 0.80 H new ATOM 0 HG21 VAL A 405 100.455 12.304 1.920 1.00 0.76 H new ATOM 0 HG22 VAL A 405 99.037 11.927 0.912 1.00 0.76 H new ATOM 0 HG23 VAL A 405 100.655 12.011 0.177 1.00 0.76 H new ATOM 1416 N GLU A 406 99.900 16.380 -1.181 1.00 0.84 N ATOM 1417 CA GLU A 406 99.673 17.840 -1.396 1.00 0.95 C ATOM 1418 C GLU A 406 98.860 18.084 -2.674 1.00 1.05 C ATOM 1419 O GLU A 406 98.036 18.974 -2.730 1.00 1.19 O ATOM 1420 CB GLU A 406 101.071 18.441 -1.523 1.00 0.91 C ATOM 1421 CG GLU A 406 101.809 18.297 -0.191 1.00 0.88 C ATOM 1422 CD GLU A 406 101.052 19.059 0.897 1.00 1.43 C ATOM 1423 OE1 GLU A 406 100.225 19.885 0.548 1.00 1.86 O ATOM 1424 OE2 GLU A 406 101.311 18.804 2.062 1.00 2.16 O ATOM 0 H GLU A 406 100.875 16.083 -1.199 1.00 0.84 H new ATOM 0 HA GLU A 406 99.105 18.289 -0.581 1.00 0.95 H new ATOM 0 HB2 GLU A 406 101.625 17.937 -2.315 1.00 0.91 H new ATOM 0 HB3 GLU A 406 101.003 19.493 -1.802 1.00 0.91 H new ATOM 0 HG2 GLU A 406 101.892 17.244 0.079 1.00 0.88 H new ATOM 0 HG3 GLU A 406 102.824 18.684 -0.282 1.00 0.88 H new ATOM 1431 N ALA A 407 99.072 17.296 -3.694 1.00 1.02 N ATOM 1432 CA ALA A 407 98.292 17.488 -4.952 1.00 1.17 C ATOM 1433 C ALA A 407 96.820 17.169 -4.698 1.00 1.32 C ATOM 1434 O ALA A 407 95.939 17.935 -5.037 1.00 1.53 O ATOM 1435 CB ALA A 407 98.895 16.496 -5.948 1.00 1.12 C ATOM 0 H ALA A 407 99.747 16.532 -3.712 1.00 1.02 H new ATOM 0 HA ALA A 407 98.341 18.512 -5.324 1.00 1.17 H new ATOM 0 HB1 ALA A 407 98.374 16.576 -6.902 1.00 1.12 H new ATOM 0 HB2 ALA A 407 99.952 16.722 -6.092 1.00 1.12 H new ATOM 0 HB3 ALA A 407 98.790 15.482 -5.561 1.00 1.12 H new ATOM 1441 N ASN A 408 96.565 16.126 -3.963 1.00 1.23 N ATOM 1442 CA ASN A 408 95.177 15.843 -3.515 1.00 1.37 C ATOM 1443 C ASN A 408 94.732 16.928 -2.540 1.00 1.44 C ATOM 1444 O ASN A 408 93.556 17.167 -2.344 1.00 1.60 O ATOM 1445 CB ASN A 408 95.273 14.490 -2.817 1.00 1.27 C ATOM 1446 CG ASN A 408 95.548 13.399 -3.854 1.00 1.88 C ATOM 1447 OD1 ASN A 408 95.346 13.603 -5.035 1.00 2.75 O ATOM 1448 ND2 ASN A 408 96.004 12.241 -3.461 1.00 2.02 N ATOM 0 H ASN A 408 97.264 15.452 -3.651 1.00 1.23 H new ATOM 0 HA ASN A 408 94.454 15.828 -4.330 1.00 1.37 H new ATOM 0 HB2 ASN A 408 96.069 14.508 -2.073 1.00 1.27 H new ATOM 0 HB3 ASN A 408 94.345 14.276 -2.286 1.00 1.27 H new ATOM 0 HD21 ASN A 408 96.191 11.508 -4.145 1.00 2.02 H new ATOM 0 HD22 ASN A 408 96.174 12.069 -2.470 1.00 2.02 H new ATOM 1455 N GLY A 409 95.673 17.541 -1.882 1.00 1.37 N ATOM 1456 CA GLY A 409 95.337 18.563 -0.861 1.00 1.51 C ATOM 1457 C GLY A 409 95.334 17.918 0.526 1.00 1.69 C ATOM 1458 O GLY A 409 94.749 18.428 1.460 1.00 2.28 O ATOM 0 H GLY A 409 96.671 17.374 -2.011 1.00 1.37 H new ATOM 0 HA2 GLY A 409 96.062 19.377 -0.894 1.00 1.51 H new ATOM 0 HA3 GLY A 409 94.360 18.997 -1.074 1.00 1.51 H new ATOM 1462 N GLY A 410 96.035 16.827 0.679 1.00 1.39 N ATOM 1463 CA GLY A 410 96.130 16.179 2.019 1.00 1.72 C ATOM 1464 C GLY A 410 97.386 16.678 2.738 1.00 1.26 C ATOM 1465 O GLY A 410 98.073 17.561 2.263 1.00 1.69 O ATOM 0 H GLY A 410 96.547 16.356 -0.067 1.00 1.39 H new ATOM 0 HA2 GLY A 410 95.244 16.409 2.610 1.00 1.72 H new ATOM 0 HA3 GLY A 410 96.167 15.095 1.909 1.00 1.72 H new ATOM 1469 N HIS A 411 97.718 16.090 3.855 1.00 0.88 N ATOM 1470 CA HIS A 411 98.962 16.501 4.570 1.00 1.32 C ATOM 1471 C HIS A 411 99.695 15.270 5.114 1.00 1.27 C ATOM 1472 O HIS A 411 99.098 14.246 5.381 1.00 1.52 O ATOM 1473 CB HIS A 411 98.483 17.392 5.717 1.00 1.83 C ATOM 1474 CG HIS A 411 97.750 18.579 5.158 1.00 2.66 C ATOM 1475 ND1 HIS A 411 98.400 19.599 4.482 1.00 3.39 N ATOM 1476 CD2 HIS A 411 96.420 18.923 5.168 1.00 3.34 C ATOM 1477 CE1 HIS A 411 97.470 20.499 4.115 1.00 4.16 C ATOM 1478 NE2 HIS A 411 96.246 20.137 4.508 1.00 4.13 N ATOM 0 H HIS A 411 97.184 15.345 4.303 1.00 0.88 H new ATOM 0 HA HIS A 411 99.662 17.020 3.915 1.00 1.32 H new ATOM 0 HB2 HIS A 411 97.829 16.827 6.381 1.00 1.83 H new ATOM 0 HB3 HIS A 411 99.333 17.724 6.313 1.00 1.83 H new ATOM 0 HD2 HIS A 411 95.630 18.341 5.619 1.00 3.34 H new ATOM 0 HE1 HIS A 411 97.687 21.405 3.569 1.00 4.16 H new ATOM 0 HE2 HIS A 411 95.372 20.641 4.357 1.00 4.13 H new ATOM 1486 N PHE A 412 100.984 15.370 5.299 1.00 1.04 N ATOM 1487 CA PHE A 412 101.756 14.216 5.849 1.00 1.06 C ATOM 1488 C PHE A 412 101.909 14.361 7.368 1.00 1.03 C ATOM 1489 O PHE A 412 102.588 15.251 7.840 1.00 1.05 O ATOM 1490 CB PHE A 412 103.119 14.296 5.160 1.00 1.03 C ATOM 1491 CG PHE A 412 103.687 12.906 4.996 1.00 1.36 C ATOM 1492 CD1 PHE A 412 104.221 12.230 6.101 1.00 1.73 C ATOM 1493 CD2 PHE A 412 103.681 12.293 3.735 1.00 1.90 C ATOM 1494 CE1 PHE A 412 104.749 10.942 5.946 1.00 2.70 C ATOM 1495 CE2 PHE A 412 104.211 11.005 3.580 1.00 2.91 C ATOM 1496 CZ PHE A 412 104.745 10.328 4.686 1.00 3.31 C ATOM 0 H PHE A 412 101.537 16.202 5.093 1.00 1.04 H new ATOM 0 HA PHE A 412 101.263 13.260 5.671 1.00 1.06 H new ATOM 0 HB2 PHE A 412 103.018 14.775 4.186 1.00 1.03 H new ATOM 0 HB3 PHE A 412 103.800 14.911 5.749 1.00 1.03 H new ATOM 0 HD1 PHE A 412 104.225 12.702 7.072 1.00 1.73 H new ATOM 0 HD2 PHE A 412 103.268 12.813 2.883 1.00 1.90 H new ATOM 0 HE1 PHE A 412 105.160 10.421 6.798 1.00 2.70 H new ATOM 0 HE2 PHE A 412 104.208 10.534 2.608 1.00 2.91 H new ATOM 0 HZ PHE A 412 105.153 9.335 4.567 1.00 3.31 H new ATOM 1506 N PRO A 413 101.235 13.499 8.084 1.00 1.03 N ATOM 1507 CA PRO A 413 101.258 13.555 9.568 1.00 1.06 C ATOM 1508 C PRO A 413 102.688 13.395 10.098 1.00 0.96 C ATOM 1509 O PRO A 413 103.469 12.621 9.580 1.00 0.88 O ATOM 1510 CB PRO A 413 100.388 12.374 10.001 1.00 1.16 C ATOM 1511 CG PRO A 413 99.603 11.982 8.788 1.00 1.23 C ATOM 1512 CD PRO A 413 100.398 12.407 7.584 1.00 1.05 C ATOM 0 HA PRO A 413 100.895 14.508 9.954 1.00 1.06 H new ATOM 0 HB2 PRO A 413 101.001 11.545 10.355 1.00 1.16 H new ATOM 0 HB3 PRO A 413 99.727 12.655 10.821 1.00 1.16 H new ATOM 0 HG2 PRO A 413 99.430 10.906 8.774 1.00 1.23 H new ATOM 0 HG3 PRO A 413 98.625 12.462 8.792 1.00 1.23 H new ATOM 0 HD2 PRO A 413 101.001 11.587 7.194 1.00 1.05 H new ATOM 0 HD3 PRO A 413 99.749 12.739 6.774 1.00 1.05 H new ATOM 1520 N THR A 414 103.032 14.119 11.129 1.00 1.01 N ATOM 1521 CA THR A 414 104.408 14.010 11.698 1.00 0.97 C ATOM 1522 C THR A 414 104.687 12.578 12.156 1.00 0.92 C ATOM 1523 O THR A 414 105.758 12.052 11.949 1.00 0.84 O ATOM 1524 CB THR A 414 104.420 14.970 12.891 1.00 1.09 C ATOM 1525 OG1 THR A 414 105.762 15.223 13.278 1.00 1.63 O ATOM 1526 CG2 THR A 414 103.657 14.348 14.064 1.00 1.75 C ATOM 0 H THR A 414 102.419 14.782 11.603 1.00 1.01 H new ATOM 0 HA THR A 414 105.176 14.258 10.966 1.00 0.97 H new ATOM 0 HB THR A 414 103.939 15.906 12.607 1.00 1.09 H new ATOM 0 HG1 THR A 414 105.772 15.839 14.040 1.00 1.63 H new ATOM 0 HG21 THR A 414 103.668 15.035 14.910 1.00 1.75 H new ATOM 0 HG22 THR A 414 102.626 14.156 13.766 1.00 1.75 H new ATOM 0 HG23 THR A 414 104.133 13.410 14.351 1.00 1.75 H new ATOM 1534 N ASP A 415 103.749 11.958 12.812 1.00 0.99 N ATOM 1535 CA ASP A 415 103.997 10.582 13.319 1.00 0.97 C ATOM 1536 C ASP A 415 104.404 9.664 12.166 1.00 0.83 C ATOM 1537 O ASP A 415 105.293 8.850 12.295 1.00 0.84 O ATOM 1538 CB ASP A 415 102.665 10.134 13.918 1.00 1.08 C ATOM 1539 CG ASP A 415 102.355 10.973 15.159 1.00 1.27 C ATOM 1540 OD1 ASP A 415 103.247 11.666 15.619 1.00 1.87 O ATOM 1541 OD2 ASP A 415 101.231 10.906 15.630 1.00 1.80 O ATOM 0 H ASP A 415 102.827 12.341 13.018 1.00 0.99 H new ATOM 0 HA ASP A 415 104.803 10.549 14.052 1.00 0.97 H new ATOM 0 HB2 ASP A 415 101.868 10.245 13.183 1.00 1.08 H new ATOM 0 HB3 ASP A 415 102.710 9.077 14.182 1.00 1.08 H new ATOM 1546 N VAL A 416 103.774 9.796 11.033 1.00 0.71 N ATOM 1547 CA VAL A 416 104.142 8.935 9.872 1.00 0.60 C ATOM 1548 C VAL A 416 105.547 9.275 9.370 1.00 0.51 C ATOM 1549 O VAL A 416 106.342 8.401 9.091 1.00 0.46 O ATOM 1550 CB VAL A 416 103.098 9.259 8.806 1.00 0.58 C ATOM 1551 CG1 VAL A 416 103.501 8.618 7.476 1.00 0.51 C ATOM 1552 CG2 VAL A 416 101.739 8.710 9.242 1.00 0.71 C ATOM 0 H VAL A 416 103.021 10.462 10.859 1.00 0.71 H new ATOM 0 HA VAL A 416 104.155 7.876 10.131 1.00 0.60 H new ATOM 0 HB VAL A 416 103.034 10.340 8.681 1.00 0.58 H new ATOM 0 HG11 VAL A 416 102.753 8.852 6.718 1.00 0.51 H new ATOM 0 HG12 VAL A 416 104.469 9.008 7.163 1.00 0.51 H new ATOM 0 HG13 VAL A 416 103.568 7.537 7.599 1.00 0.51 H new ATOM 0 HG21 VAL A 416 100.993 8.941 8.482 1.00 0.71 H new ATOM 0 HG22 VAL A 416 101.807 7.629 9.368 1.00 0.71 H new ATOM 0 HG23 VAL A 416 101.448 9.168 10.187 1.00 0.71 H new ATOM 1562 N ASP A 417 105.881 10.531 9.309 1.00 0.53 N ATOM 1563 CA ASP A 417 107.260 10.910 8.890 1.00 0.53 C ATOM 1564 C ASP A 417 108.279 10.354 9.887 1.00 0.58 C ATOM 1565 O ASP A 417 109.313 9.837 9.516 1.00 0.60 O ATOM 1566 CB ASP A 417 107.268 12.438 8.898 1.00 0.61 C ATOM 1567 CG ASP A 417 108.565 12.947 8.270 1.00 1.03 C ATOM 1568 OD1 ASP A 417 109.321 12.129 7.772 1.00 1.15 O ATOM 1569 OD2 ASP A 417 108.781 14.149 8.296 1.00 1.81 O ATOM 0 H ASP A 417 105.262 11.311 9.530 1.00 0.53 H new ATOM 0 HA ASP A 417 107.525 10.511 7.911 1.00 0.53 H new ATOM 0 HB2 ASP A 417 106.410 12.819 8.344 1.00 0.61 H new ATOM 0 HB3 ASP A 417 107.178 12.807 9.920 1.00 0.61 H new ATOM 1574 N GLN A 418 107.949 10.374 11.145 1.00 0.62 N ATOM 1575 CA GLN A 418 108.843 9.764 12.166 1.00 0.68 C ATOM 1576 C GLN A 418 108.957 8.248 11.959 1.00 0.69 C ATOM 1577 O GLN A 418 110.027 7.690 12.051 1.00 0.81 O ATOM 1578 CB GLN A 418 108.174 10.096 13.500 1.00 0.73 C ATOM 1579 CG GLN A 418 108.335 11.590 13.791 1.00 1.31 C ATOM 1580 CD GLN A 418 109.824 11.944 13.831 1.00 1.86 C ATOM 1581 OE1 GLN A 418 110.600 11.281 14.490 1.00 1.96 O ATOM 1582 NE2 GLN A 418 110.256 12.968 13.148 1.00 2.60 N ATOM 0 H GLN A 418 107.093 10.789 11.513 1.00 0.62 H new ATOM 0 HA GLN A 418 109.863 10.146 12.112 1.00 0.68 H new ATOM 0 HB2 GLN A 418 107.117 9.833 13.465 1.00 0.73 H new ATOM 0 HB3 GLN A 418 108.622 9.508 14.301 1.00 0.73 H new ATOM 0 HG2 GLN A 418 107.831 12.177 13.023 1.00 1.31 H new ATOM 0 HG3 GLN A 418 107.865 11.839 14.743 1.00 1.31 H new ATOM 0 HE21 GLN A 418 109.604 13.524 12.595 1.00 2.60 H new ATOM 0 HE22 GLN A 418 111.246 13.213 13.167 1.00 2.60 H new ATOM 1591 N LYS A 419 107.879 7.576 11.658 1.00 0.61 N ATOM 1592 CA LYS A 419 107.973 6.104 11.431 1.00 0.63 C ATOM 1593 C LYS A 419 108.869 5.794 10.224 1.00 0.62 C ATOM 1594 O LYS A 419 109.649 4.867 10.244 1.00 0.71 O ATOM 1595 CB LYS A 419 106.537 5.649 11.164 1.00 0.57 C ATOM 1596 CG LYS A 419 105.710 5.788 12.443 1.00 0.81 C ATOM 1597 CD LYS A 419 104.300 5.246 12.201 1.00 0.93 C ATOM 1598 CE LYS A 419 103.439 5.491 13.443 1.00 1.33 C ATOM 1599 NZ LYS A 419 102.873 4.157 13.787 1.00 2.49 N ATOM 0 H LYS A 419 106.946 7.977 11.560 1.00 0.61 H new ATOM 0 HA LYS A 419 108.414 5.590 12.285 1.00 0.63 H new ATOM 0 HB2 LYS A 419 106.097 6.248 10.367 1.00 0.57 H new ATOM 0 HB3 LYS A 419 106.530 4.613 10.825 1.00 0.57 H new ATOM 0 HG2 LYS A 419 106.186 5.242 13.258 1.00 0.81 H new ATOM 0 HG3 LYS A 419 105.662 6.834 12.746 1.00 0.81 H new ATOM 0 HD2 LYS A 419 103.855 5.735 11.334 1.00 0.93 H new ATOM 0 HD3 LYS A 419 104.342 4.180 11.979 1.00 0.93 H new ATOM 0 HE2 LYS A 419 104.034 5.891 14.264 1.00 1.33 H new ATOM 0 HE3 LYS A 419 102.650 6.215 13.240 1.00 1.33 H new ATOM 0 HZ1 LYS A 419 102.131 4.270 14.507 1.00 2.49 H new ATOM 0 HZ2 LYS A 419 102.466 3.722 12.934 1.00 2.49 H new ATOM 0 HZ3 LYS A 419 103.627 3.546 14.161 1.00 2.49 H new ATOM 1613 N VAL A 420 108.777 6.575 9.186 1.00 0.56 N ATOM 1614 CA VAL A 420 109.630 6.336 7.981 1.00 0.62 C ATOM 1615 C VAL A 420 111.102 6.574 8.316 1.00 0.71 C ATOM 1616 O VAL A 420 111.980 5.867 7.864 1.00 0.79 O ATOM 1617 CB VAL A 420 109.145 7.366 6.962 1.00 0.60 C ATOM 1618 CG1 VAL A 420 110.062 7.353 5.739 1.00 0.70 C ATOM 1619 CG2 VAL A 420 107.718 7.025 6.529 1.00 0.59 C ATOM 0 H VAL A 420 108.146 7.373 9.116 1.00 0.56 H new ATOM 0 HA VAL A 420 109.552 5.314 7.611 1.00 0.62 H new ATOM 0 HB VAL A 420 109.162 8.356 7.417 1.00 0.60 H new ATOM 0 HG11 VAL A 420 109.713 8.089 5.015 1.00 0.70 H new ATOM 0 HG12 VAL A 420 111.079 7.599 6.044 1.00 0.70 H new ATOM 0 HG13 VAL A 420 110.049 6.362 5.285 1.00 0.70 H new ATOM 0 HG21 VAL A 420 107.373 7.760 5.802 1.00 0.59 H new ATOM 0 HG22 VAL A 420 107.702 6.033 6.077 1.00 0.59 H new ATOM 0 HG23 VAL A 420 107.061 7.038 7.399 1.00 0.59 H new ATOM 1629 N ASP A 421 111.370 7.580 9.089 1.00 0.72 N ATOM 1630 CA ASP A 421 112.778 7.902 9.452 1.00 0.84 C ATOM 1631 C ASP A 421 113.363 6.820 10.361 1.00 0.91 C ATOM 1632 O ASP A 421 114.464 6.351 10.157 1.00 1.00 O ATOM 1633 CB ASP A 421 112.680 9.233 10.192 1.00 0.88 C ATOM 1634 CG ASP A 421 112.382 10.353 9.192 1.00 1.14 C ATOM 1635 OD1 ASP A 421 112.430 10.086 8.003 1.00 1.25 O ATOM 1636 OD2 ASP A 421 112.111 11.457 9.634 1.00 2.05 O ATOM 0 H ASP A 421 110.669 8.202 9.491 1.00 0.72 H new ATOM 0 HA ASP A 421 113.432 7.956 8.581 1.00 0.84 H new ATOM 0 HB2 ASP A 421 111.894 9.185 10.945 1.00 0.88 H new ATOM 0 HB3 ASP A 421 113.613 9.439 10.717 1.00 0.88 H new ATOM 1641 N GLN A 422 112.607 6.375 11.324 1.00 0.89 N ATOM 1642 CA GLN A 422 113.088 5.272 12.202 1.00 0.98 C ATOM 1643 C GLN A 422 113.252 3.992 11.384 1.00 0.98 C ATOM 1644 O GLN A 422 114.179 3.234 11.580 1.00 1.07 O ATOM 1645 CB GLN A 422 112.001 5.112 13.265 1.00 0.99 C ATOM 1646 CG GLN A 422 111.879 6.409 14.070 1.00 1.32 C ATOM 1647 CD GLN A 422 110.878 6.228 15.220 1.00 1.77 C ATOM 1648 OE1 GLN A 422 110.213 5.108 15.344 1.00 2.33 O flip ATOM 1649 NE2 GLN A 422 110.696 7.125 16.020 1.00 2.33 N flip ATOM 0 H GLN A 422 111.675 6.728 11.542 1.00 0.89 H new ATOM 0 HA GLN A 422 114.058 5.483 12.652 1.00 0.98 H new ATOM 0 HB2 GLN A 422 111.048 4.874 12.793 1.00 0.99 H new ATOM 0 HB3 GLN A 422 112.245 4.282 13.928 1.00 0.99 H new ATOM 0 HG2 GLN A 422 112.854 6.692 14.468 1.00 1.32 H new ATOM 0 HG3 GLN A 422 111.553 7.220 13.419 1.00 1.32 H new ATOM 0 HE21 GLN A 422 111.211 8.001 15.930 1.00 2.33 H new ATOM 0 HE22 GLN A 422 110.029 7.002 16.781 1.00 2.33 H new ATOM 1658 N VAL A 423 112.444 3.820 10.378 1.00 0.91 N ATOM 1659 CA VAL A 423 112.648 2.679 9.449 1.00 0.94 C ATOM 1660 C VAL A 423 114.012 2.805 8.764 1.00 0.96 C ATOM 1661 O VAL A 423 114.754 1.849 8.654 1.00 1.00 O ATOM 1662 CB VAL A 423 111.521 2.824 8.434 1.00 0.92 C ATOM 1663 CG1 VAL A 423 111.689 1.792 7.320 1.00 0.95 C ATOM 1664 CG2 VAL A 423 110.175 2.617 9.128 1.00 0.99 C ATOM 0 H VAL A 423 111.650 4.422 10.159 1.00 0.91 H new ATOM 0 HA VAL A 423 112.634 1.710 9.949 1.00 0.94 H new ATOM 0 HB VAL A 423 111.555 3.824 8.002 1.00 0.92 H new ATOM 0 HG11 VAL A 423 110.880 1.901 6.598 1.00 0.95 H new ATOM 0 HG12 VAL A 423 112.645 1.948 6.820 1.00 0.95 H new ATOM 0 HG13 VAL A 423 111.662 0.789 7.746 1.00 0.95 H new ATOM 0 HG21 VAL A 423 109.370 2.721 8.400 1.00 0.99 H new ATOM 0 HG22 VAL A 423 110.141 1.619 9.566 1.00 0.99 H new ATOM 0 HG23 VAL A 423 110.052 3.363 9.914 1.00 0.99 H new ATOM 1674 N ALA A 424 114.354 3.984 8.322 1.00 0.98 N ATOM 1675 CA ALA A 424 115.678 4.184 7.665 1.00 1.07 C ATOM 1676 C ALA A 424 116.802 4.101 8.700 1.00 1.17 C ATOM 1677 O ALA A 424 117.765 3.379 8.530 1.00 1.24 O ATOM 1678 CB ALA A 424 115.613 5.587 7.073 1.00 1.09 C ATOM 0 H ALA A 424 113.773 4.820 8.387 1.00 0.98 H new ATOM 0 HA ALA A 424 115.881 3.425 6.910 1.00 1.07 H new ATOM 0 HB1 ALA A 424 116.553 5.813 6.569 1.00 1.09 H new ATOM 0 HB2 ALA A 424 114.794 5.642 6.355 1.00 1.09 H new ATOM 0 HB3 ALA A 424 115.445 6.311 7.870 1.00 1.09 H new ATOM 1684 N ARG A 425 116.683 4.832 9.774 1.00 1.23 N ATOM 1685 CA ARG A 425 117.739 4.792 10.823 1.00 1.39 C ATOM 1686 C ARG A 425 117.973 3.350 11.270 1.00 1.38 C ATOM 1687 O ARG A 425 119.025 3.005 11.771 1.00 1.53 O ATOM 1688 CB ARG A 425 117.188 5.632 11.976 1.00 1.57 C ATOM 1689 CG ARG A 425 117.047 7.087 11.527 1.00 2.17 C ATOM 1690 CD ARG A 425 116.579 7.944 12.706 1.00 2.43 C ATOM 1691 NE ARG A 425 116.262 9.273 12.113 1.00 2.68 N ATOM 1692 CZ ARG A 425 115.970 10.286 12.886 1.00 3.44 C ATOM 1693 NH1 ARG A 425 115.956 10.139 14.185 1.00 4.11 N ATOM 1694 NH2 ARG A 425 115.694 11.447 12.360 1.00 3.73 N ATOM 0 H ARG A 425 115.900 5.455 9.970 1.00 1.23 H new ATOM 0 HA ARG A 425 118.695 5.176 10.466 1.00 1.39 H new ATOM 0 HB2 ARG A 425 116.220 5.243 12.293 1.00 1.57 H new ATOM 0 HB3 ARG A 425 117.854 5.569 12.836 1.00 1.57 H new ATOM 0 HG2 ARG A 425 118.001 7.457 11.152 1.00 2.17 H new ATOM 0 HG3 ARG A 425 116.333 7.158 10.707 1.00 2.17 H new ATOM 0 HD2 ARG A 425 115.704 7.508 13.188 1.00 2.43 H new ATOM 0 HD3 ARG A 425 117.355 8.026 13.467 1.00 2.43 H new ATOM 0 HE ARG A 425 116.273 9.393 11.100 1.00 2.68 H new ATOM 0 HH11 ARG A 425 116.173 9.232 14.598 1.00 4.11 H new ATOM 0 HH12 ARG A 425 115.728 10.931 14.785 1.00 4.11 H new ATOM 0 HH21 ARG A 425 115.706 11.564 11.347 1.00 3.73 H new ATOM 0 HH22 ARG A 425 115.466 12.238 12.962 1.00 3.73 H new ATOM 1708 N GLN A 426 117.010 2.495 11.058 1.00 1.26 N ATOM 1709 CA GLN A 426 117.195 1.062 11.437 1.00 1.33 C ATOM 1710 C GLN A 426 117.785 0.269 10.267 1.00 1.26 C ATOM 1711 O GLN A 426 118.020 -0.919 10.367 1.00 1.33 O ATOM 1712 CB GLN A 426 115.796 0.559 11.785 1.00 1.34 C ATOM 1713 CG GLN A 426 115.297 1.288 13.030 1.00 1.95 C ATOM 1714 CD GLN A 426 116.021 0.747 14.264 1.00 2.42 C ATOM 1715 OE1 GLN A 426 116.134 -0.450 14.439 1.00 2.68 O ATOM 1716 NE2 GLN A 426 116.521 1.583 15.132 1.00 2.92 N ATOM 0 H GLN A 426 116.107 2.723 10.641 1.00 1.26 H new ATOM 0 HA GLN A 426 117.887 0.944 12.271 1.00 1.33 H new ATOM 0 HB2 GLN A 426 115.116 0.732 10.951 1.00 1.34 H new ATOM 0 HB3 GLN A 426 115.817 -0.516 11.962 1.00 1.34 H new ATOM 0 HG2 GLN A 426 115.474 2.359 12.932 1.00 1.95 H new ATOM 0 HG3 GLN A 426 114.221 1.151 13.138 1.00 1.95 H new ATOM 0 HE21 GLN A 426 116.426 2.588 14.985 1.00 2.92 H new ATOM 0 HE22 GLN A 426 117.007 1.232 15.957 1.00 2.92 H new ATOM 1725 N GLY A 427 118.103 0.933 9.192 1.00 1.16 N ATOM 1726 CA GLY A 427 118.768 0.234 8.055 1.00 1.14 C ATOM 1727 C GLY A 427 117.710 -0.330 7.104 1.00 1.07 C ATOM 1728 O GLY A 427 118.015 -1.067 6.188 1.00 1.11 O ATOM 0 H GLY A 427 117.932 1.929 9.050 1.00 1.16 H new ATOM 0 HA2 GLY A 427 119.419 0.926 7.521 1.00 1.14 H new ATOM 0 HA3 GLY A 427 119.399 -0.571 8.430 1.00 1.14 H new ATOM 1732 N ALA A 428 116.477 0.044 7.290 1.00 1.07 N ATOM 1733 CA ALA A 428 115.403 -0.432 6.371 1.00 1.00 C ATOM 1734 C ALA A 428 115.013 0.685 5.405 1.00 0.94 C ATOM 1735 O ALA A 428 115.119 1.852 5.720 1.00 0.97 O ATOM 1736 CB ALA A 428 114.229 -0.786 7.283 1.00 1.04 C ATOM 0 H ALA A 428 116.164 0.660 8.040 1.00 1.07 H new ATOM 0 HA ALA A 428 115.718 -1.283 5.768 1.00 1.00 H new ATOM 0 HB1 ALA A 428 113.395 -1.146 6.680 1.00 1.04 H new ATOM 0 HB2 ALA A 428 114.534 -1.565 7.982 1.00 1.04 H new ATOM 0 HB3 ALA A 428 113.920 0.100 7.838 1.00 1.04 H new ATOM 1742 N THR A 429 114.466 0.337 4.273 1.00 0.92 N ATOM 1743 CA THR A 429 113.958 1.385 3.343 1.00 0.88 C ATOM 1744 C THR A 429 112.475 1.623 3.613 1.00 0.65 C ATOM 1745 O THR A 429 111.658 0.764 3.353 1.00 0.62 O ATOM 1746 CB THR A 429 114.155 0.818 1.934 1.00 1.00 C ATOM 1747 OG1 THR A 429 115.527 0.909 1.576 1.00 1.21 O ATOM 1748 CG2 THR A 429 113.307 1.616 0.935 1.00 1.00 C ATOM 0 H THR A 429 114.349 -0.624 3.952 1.00 0.92 H new ATOM 0 HA THR A 429 114.478 2.335 3.466 1.00 0.88 H new ATOM 0 HB THR A 429 113.844 -0.226 1.916 1.00 1.00 H new ATOM 0 HG1 THR A 429 115.655 0.545 0.675 1.00 1.21 H new ATOM 0 HG21 THR A 429 113.448 1.211 -0.067 1.00 1.00 H new ATOM 0 HG22 THR A 429 112.255 1.543 1.211 1.00 1.00 H new ATOM 0 HG23 THR A 429 113.614 2.662 0.951 1.00 1.00 H new ATOM 1756 N PRO A 430 112.184 2.759 4.177 1.00 0.70 N ATOM 1757 CA PRO A 430 110.792 3.089 4.535 1.00 0.55 C ATOM 1758 C PRO A 430 110.016 3.547 3.299 1.00 0.54 C ATOM 1759 O PRO A 430 110.062 4.704 2.928 1.00 0.68 O ATOM 1760 CB PRO A 430 110.929 4.240 5.538 1.00 0.81 C ATOM 1761 CG PRO A 430 112.402 4.504 5.687 1.00 1.20 C ATOM 1762 CD PRO A 430 113.102 3.832 4.538 1.00 1.04 C ATOM 0 HA PRO A 430 110.250 2.237 4.944 1.00 0.55 H new ATOM 0 HB2 PRO A 430 110.410 5.129 5.181 1.00 0.81 H new ATOM 0 HB3 PRO A 430 110.484 3.974 6.497 1.00 0.81 H new ATOM 0 HG2 PRO A 430 112.601 5.576 5.683 1.00 1.20 H new ATOM 0 HG3 PRO A 430 112.767 4.115 6.638 1.00 1.20 H new ATOM 0 HD2 PRO A 430 113.266 4.519 3.708 1.00 1.04 H new ATOM 0 HD3 PRO A 430 114.079 3.446 4.830 1.00 1.04 H new ATOM 1770 N LEU A 431 109.117 2.731 2.828 1.00 0.47 N ATOM 1771 CA LEU A 431 108.136 3.226 1.828 1.00 0.56 C ATOM 1772 C LEU A 431 106.911 3.758 2.562 1.00 0.54 C ATOM 1773 O LEU A 431 106.560 3.280 3.614 1.00 0.59 O ATOM 1774 CB LEU A 431 107.744 2.018 0.983 1.00 0.59 C ATOM 1775 CG LEU A 431 108.968 1.465 0.269 1.00 0.59 C ATOM 1776 CD1 LEU A 431 108.543 0.294 -0.617 1.00 1.14 C ATOM 1777 CD2 LEU A 431 109.588 2.560 -0.599 1.00 1.40 C ATOM 0 H LEU A 431 109.020 1.750 3.090 1.00 0.47 H new ATOM 0 HA LEU A 431 108.548 4.024 1.210 1.00 0.56 H new ATOM 0 HB2 LEU A 431 107.303 1.248 1.616 1.00 0.59 H new ATOM 0 HB3 LEU A 431 106.986 2.304 0.254 1.00 0.59 H new ATOM 0 HG LEU A 431 109.700 1.126 1.002 1.00 0.59 H new ATOM 0 HD11 LEU A 431 109.415 -0.108 -1.132 1.00 1.14 H new ATOM 0 HD12 LEU A 431 108.095 -0.485 -0.000 1.00 1.14 H new ATOM 0 HD13 LEU A 431 107.815 0.639 -1.351 1.00 1.14 H new ATOM 0 HD21 LEU A 431 110.465 2.165 -1.111 1.00 1.40 H new ATOM 0 HD22 LEU A 431 108.859 2.897 -1.336 1.00 1.40 H new ATOM 0 HD23 LEU A 431 109.883 3.400 0.030 1.00 1.40 H new ATOM 1789 N VAL A 432 106.266 4.748 2.037 1.00 0.49 N ATOM 1790 CA VAL A 432 105.077 5.294 2.746 1.00 0.48 C ATOM 1791 C VAL A 432 103.802 4.981 1.959 1.00 0.48 C ATOM 1792 O VAL A 432 103.778 5.055 0.746 1.00 0.52 O ATOM 1793 CB VAL A 432 105.312 6.799 2.820 1.00 0.43 C ATOM 1794 CG1 VAL A 432 104.158 7.461 3.575 1.00 0.45 C ATOM 1795 CG2 VAL A 432 106.625 7.074 3.557 1.00 0.51 C ATOM 0 H VAL A 432 106.502 5.204 1.156 1.00 0.49 H new ATOM 0 HA VAL A 432 104.951 4.857 3.737 1.00 0.48 H new ATOM 0 HB VAL A 432 105.367 7.207 1.811 1.00 0.43 H new ATOM 0 HG11 VAL A 432 104.327 8.537 3.627 1.00 0.45 H new ATOM 0 HG12 VAL A 432 103.222 7.266 3.052 1.00 0.45 H new ATOM 0 HG13 VAL A 432 104.102 7.053 4.584 1.00 0.45 H new ATOM 0 HG21 VAL A 432 106.794 8.150 3.610 1.00 0.51 H new ATOM 0 HG22 VAL A 432 106.569 6.665 4.566 1.00 0.51 H new ATOM 0 HG23 VAL A 432 107.449 6.604 3.020 1.00 0.51 H new ATOM 1805 N VAL A 433 102.756 4.604 2.641 1.00 0.44 N ATOM 1806 CA VAL A 433 101.487 4.252 1.944 1.00 0.45 C ATOM 1807 C VAL A 433 100.370 5.199 2.384 1.00 0.37 C ATOM 1808 O VAL A 433 100.209 5.480 3.556 1.00 0.37 O ATOM 1809 CB VAL A 433 101.176 2.822 2.386 1.00 0.56 C ATOM 1810 CG1 VAL A 433 99.992 2.284 1.581 1.00 0.59 C ATOM 1811 CG2 VAL A 433 102.400 1.935 2.149 1.00 1.08 C ATOM 0 H VAL A 433 102.726 4.524 3.657 1.00 0.44 H new ATOM 0 HA VAL A 433 101.572 4.335 0.861 1.00 0.45 H new ATOM 0 HB VAL A 433 100.925 2.818 3.447 1.00 0.56 H new ATOM 0 HG11 VAL A 433 99.771 1.264 1.897 1.00 0.59 H new ATOM 0 HG12 VAL A 433 99.119 2.914 1.752 1.00 0.59 H new ATOM 0 HG13 VAL A 433 100.241 2.289 0.520 1.00 0.59 H new ATOM 0 HG21 VAL A 433 102.177 0.916 2.464 1.00 1.08 H new ATOM 0 HG22 VAL A 433 102.653 1.940 1.089 1.00 1.08 H new ATOM 0 HG23 VAL A 433 103.243 2.317 2.725 1.00 1.08 H new ATOM 1821 N VAL A 434 99.559 5.637 1.460 1.00 0.43 N ATOM 1822 CA VAL A 434 98.406 6.505 1.829 1.00 0.43 C ATOM 1823 C VAL A 434 97.109 5.932 1.258 1.00 0.48 C ATOM 1824 O VAL A 434 97.104 5.316 0.211 1.00 0.90 O ATOM 1825 CB VAL A 434 98.707 7.877 1.210 1.00 0.53 C ATOM 1826 CG1 VAL A 434 100.175 8.234 1.439 1.00 0.70 C ATOM 1827 CG2 VAL A 434 98.415 7.852 -0.295 1.00 0.49 C ATOM 0 H VAL A 434 99.646 5.431 0.465 1.00 0.43 H new ATOM 0 HA VAL A 434 98.278 6.572 2.909 1.00 0.43 H new ATOM 0 HB VAL A 434 98.072 8.625 1.684 1.00 0.53 H new ATOM 0 HG11 VAL A 434 100.385 9.209 0.998 1.00 0.70 H new ATOM 0 HG12 VAL A 434 100.378 8.268 2.509 1.00 0.70 H new ATOM 0 HG13 VAL A 434 100.810 7.480 0.973 1.00 0.70 H new ATOM 0 HG21 VAL A 434 98.632 8.830 -0.724 1.00 0.49 H new ATOM 0 HG22 VAL A 434 99.040 7.099 -0.774 1.00 0.49 H new ATOM 0 HG23 VAL A 434 97.365 7.609 -0.458 1.00 0.49 H new ATOM 1837 N GLU A 435 96.003 6.360 1.791 1.00 0.61 N ATOM 1838 CA GLU A 435 94.707 6.094 1.114 1.00 0.60 C ATOM 1839 C GLU A 435 94.089 7.422 0.695 1.00 0.62 C ATOM 1840 O GLU A 435 94.043 8.363 1.461 1.00 0.67 O ATOM 1841 CB GLU A 435 93.835 5.399 2.159 1.00 0.70 C ATOM 1842 CG GLU A 435 93.822 3.899 1.885 1.00 0.76 C ATOM 1843 CD GLU A 435 92.930 3.197 2.911 1.00 1.13 C ATOM 1844 OE1 GLU A 435 92.477 3.864 3.827 1.00 1.79 O ATOM 1845 OE2 GLU A 435 92.716 2.005 2.765 1.00 1.34 O ATOM 0 H GLU A 435 95.940 6.882 2.665 1.00 0.61 H new ATOM 0 HA GLU A 435 94.815 5.478 0.221 1.00 0.60 H new ATOM 0 HB2 GLU A 435 94.220 5.595 3.160 1.00 0.70 H new ATOM 0 HB3 GLU A 435 92.820 5.796 2.125 1.00 0.70 H new ATOM 0 HG2 GLU A 435 93.455 3.707 0.877 1.00 0.76 H new ATOM 0 HG3 GLU A 435 94.835 3.501 1.937 1.00 0.76 H new ATOM 1852 N GLY A 436 93.759 7.558 -0.554 1.00 0.61 N ATOM 1853 CA GLY A 436 93.318 8.890 -1.043 1.00 0.64 C ATOM 1854 C GLY A 436 94.492 9.866 -0.943 1.00 0.68 C ATOM 1855 O GLY A 436 95.438 9.798 -1.703 1.00 1.42 O ATOM 0 H GLY A 436 93.774 6.814 -1.252 1.00 0.61 H new ATOM 0 HA2 GLY A 436 92.974 8.818 -2.075 1.00 0.64 H new ATOM 0 HA3 GLY A 436 92.477 9.250 -0.451 1.00 0.64 H new ATOM 1859 N SER A 437 94.418 10.803 -0.038 1.00 0.84 N ATOM 1860 CA SER A 437 95.504 11.820 0.081 1.00 0.81 C ATOM 1861 C SER A 437 96.144 11.778 1.475 1.00 0.83 C ATOM 1862 O SER A 437 96.873 12.674 1.853 1.00 1.35 O ATOM 1863 CB SER A 437 94.806 13.159 -0.140 1.00 0.80 C ATOM 1864 OG SER A 437 94.172 13.563 1.068 1.00 1.42 O ATOM 0 H SER A 437 93.651 10.909 0.626 1.00 0.84 H new ATOM 0 HA SER A 437 96.307 11.644 -0.634 1.00 0.81 H new ATOM 0 HB2 SER A 437 95.529 13.912 -0.454 1.00 0.80 H new ATOM 0 HB3 SER A 437 94.070 13.071 -0.939 1.00 0.80 H new ATOM 0 HG SER A 437 93.724 14.424 0.930 1.00 1.42 H new ATOM 1870 N ARG A 438 95.838 10.783 2.265 1.00 0.53 N ATOM 1871 CA ARG A 438 96.390 10.749 3.651 1.00 0.62 C ATOM 1872 C ARG A 438 97.201 9.467 3.867 1.00 0.65 C ATOM 1873 O ARG A 438 96.877 8.420 3.345 1.00 0.69 O ATOM 1874 CB ARG A 438 95.163 10.768 4.561 1.00 0.78 C ATOM 1875 CG ARG A 438 94.492 9.395 4.539 1.00 1.34 C ATOM 1876 CD ARG A 438 93.091 9.499 5.140 1.00 1.53 C ATOM 1877 NE ARG A 438 92.594 8.097 5.205 1.00 2.25 N ATOM 1878 CZ ARG A 438 92.158 7.503 4.126 1.00 2.95 C ATOM 1879 NH1 ARG A 438 92.157 8.132 2.982 1.00 3.49 N ATOM 1880 NH2 ARG A 438 91.723 6.273 4.191 1.00 3.52 N ATOM 0 H ARG A 438 95.235 9.999 2.014 1.00 0.53 H new ATOM 0 HA ARG A 438 97.061 11.584 3.851 1.00 0.62 H new ATOM 0 HB2 ARG A 438 95.456 11.025 5.579 1.00 0.78 H new ATOM 0 HB3 ARG A 438 94.462 11.533 4.228 1.00 0.78 H new ATOM 0 HG2 ARG A 438 94.433 9.024 3.516 1.00 1.34 H new ATOM 0 HG3 ARG A 438 95.089 8.678 5.104 1.00 1.34 H new ATOM 0 HD2 ARG A 438 93.119 9.954 6.130 1.00 1.53 H new ATOM 0 HD3 ARG A 438 92.442 10.120 4.522 1.00 1.53 H new ATOM 0 HE ARG A 438 92.594 7.599 6.095 1.00 2.25 H new ATOM 0 HH11 ARG A 438 92.498 9.092 2.927 1.00 3.49 H new ATOM 0 HH12 ARG A 438 91.816 7.664 2.143 1.00 3.49 H new ATOM 0 HH21 ARG A 438 91.724 5.778 5.083 1.00 3.52 H new ATOM 0 HH22 ARG A 438 91.382 5.807 3.350 1.00 3.52 H new ATOM 1894 N VAL A 439 98.268 9.551 4.610 1.00 0.67 N ATOM 1895 CA VAL A 439 99.126 8.351 4.823 1.00 0.74 C ATOM 1896 C VAL A 439 98.485 7.405 5.839 1.00 0.93 C ATOM 1897 O VAL A 439 98.174 7.788 6.949 1.00 1.41 O ATOM 1898 CB VAL A 439 100.445 8.899 5.365 1.00 0.89 C ATOM 1899 CG1 VAL A 439 101.452 7.756 5.511 1.00 0.99 C ATOM 1900 CG2 VAL A 439 100.999 9.943 4.393 1.00 0.86 C ATOM 0 H VAL A 439 98.584 10.399 5.080 1.00 0.67 H new ATOM 0 HA VAL A 439 99.264 7.780 3.905 1.00 0.74 H new ATOM 0 HB VAL A 439 100.275 9.360 6.338 1.00 0.89 H new ATOM 0 HG11 VAL A 439 102.393 8.147 5.898 1.00 0.99 H new ATOM 0 HG12 VAL A 439 101.058 7.010 6.201 1.00 0.99 H new ATOM 0 HG13 VAL A 439 101.623 7.295 4.538 1.00 0.99 H new ATOM 0 HG21 VAL A 439 101.940 10.335 4.778 1.00 0.86 H new ATOM 0 HG22 VAL A 439 101.169 9.481 3.421 1.00 0.86 H new ATOM 0 HG23 VAL A 439 100.283 10.758 4.287 1.00 0.86 H new ATOM 1910 N LEU A 440 98.320 6.162 5.479 1.00 0.79 N ATOM 1911 CA LEU A 440 97.741 5.179 6.436 1.00 1.07 C ATOM 1912 C LEU A 440 98.852 4.532 7.267 1.00 0.74 C ATOM 1913 O LEU A 440 98.631 4.108 8.384 1.00 0.88 O ATOM 1914 CB LEU A 440 97.034 4.136 5.569 1.00 1.60 C ATOM 1915 CG LEU A 440 98.005 3.582 4.527 1.00 1.48 C ATOM 1916 CD1 LEU A 440 98.146 2.074 4.718 1.00 1.79 C ATOM 1917 CD2 LEU A 440 97.460 3.865 3.127 1.00 1.57 C ATOM 0 H LEU A 440 98.561 5.785 4.563 1.00 0.79 H new ATOM 0 HA LEU A 440 97.053 5.648 7.139 1.00 1.07 H new ATOM 0 HB2 LEU A 440 96.656 3.327 6.194 1.00 1.60 H new ATOM 0 HB3 LEU A 440 96.173 4.585 5.074 1.00 1.60 H new ATOM 0 HG LEU A 440 98.978 4.058 4.645 1.00 1.48 H new ATOM 0 HD11 LEU A 440 98.838 1.676 3.976 1.00 1.79 H new ATOM 0 HD12 LEU A 440 98.528 1.868 5.718 1.00 1.79 H new ATOM 0 HD13 LEU A 440 97.172 1.599 4.597 1.00 1.79 H new ATOM 0 HD21 LEU A 440 98.150 3.471 2.381 1.00 1.57 H new ATOM 0 HD22 LEU A 440 96.488 3.385 3.011 1.00 1.57 H new ATOM 0 HD23 LEU A 440 97.352 4.941 2.989 1.00 1.57 H new ATOM 1929 N GLY A 441 100.047 4.456 6.742 1.00 0.64 N ATOM 1930 CA GLY A 441 101.157 3.840 7.529 1.00 1.02 C ATOM 1931 C GLY A 441 102.448 3.821 6.710 1.00 0.82 C ATOM 1932 O GLY A 441 102.503 4.307 5.600 1.00 0.96 O ATOM 0 H GLY A 441 100.301 4.790 5.812 1.00 0.64 H new ATOM 0 HA2 GLY A 441 101.312 4.401 8.450 1.00 1.02 H new ATOM 0 HA3 GLY A 441 100.887 2.824 7.816 1.00 1.02 H new ATOM 1936 N VAL A 442 103.497 3.277 7.267 1.00 0.56 N ATOM 1937 CA VAL A 442 104.805 3.239 6.549 1.00 0.44 C ATOM 1938 C VAL A 442 105.303 1.790 6.455 1.00 0.41 C ATOM 1939 O VAL A 442 104.892 0.936 7.216 1.00 0.41 O ATOM 1940 CB VAL A 442 105.746 4.066 7.417 1.00 0.42 C ATOM 1941 CG1 VAL A 442 107.101 4.183 6.724 1.00 0.44 C ATOM 1942 CG2 VAL A 442 105.154 5.462 7.622 1.00 0.57 C ATOM 0 H VAL A 442 103.504 2.854 8.195 1.00 0.56 H new ATOM 0 HA VAL A 442 104.738 3.625 5.532 1.00 0.44 H new ATOM 0 HB VAL A 442 105.873 3.580 8.385 1.00 0.42 H new ATOM 0 HG11 VAL A 442 107.776 4.774 7.343 1.00 0.44 H new ATOM 0 HG12 VAL A 442 107.521 3.188 6.576 1.00 0.44 H new ATOM 0 HG13 VAL A 442 106.974 4.670 5.757 1.00 0.44 H new ATOM 0 HG21 VAL A 442 105.826 6.055 8.243 1.00 0.57 H new ATOM 0 HG22 VAL A 442 105.028 5.950 6.655 1.00 0.57 H new ATOM 0 HG23 VAL A 442 104.185 5.378 8.114 1.00 0.57 H new ATOM 1952 N ILE A 443 106.168 1.501 5.522 1.00 0.42 N ATOM 1953 CA ILE A 443 106.665 0.097 5.378 1.00 0.43 C ATOM 1954 C ILE A 443 108.193 0.055 5.437 1.00 0.44 C ATOM 1955 O ILE A 443 108.872 0.737 4.704 1.00 0.51 O ATOM 1956 CB ILE A 443 106.183 -0.371 4.006 1.00 0.47 C ATOM 1957 CG1 ILE A 443 104.709 -0.003 3.823 1.00 0.51 C ATOM 1958 CG2 ILE A 443 106.343 -1.888 3.904 1.00 0.56 C ATOM 1959 CD1 ILE A 443 103.912 -0.452 5.049 1.00 1.05 C ATOM 0 H ILE A 443 106.552 2.170 4.855 1.00 0.42 H new ATOM 0 HA ILE A 443 106.295 -0.540 6.182 1.00 0.43 H new ATOM 0 HB ILE A 443 106.775 0.115 3.230 1.00 0.47 H new ATOM 0 HG12 ILE A 443 104.607 1.073 3.685 1.00 0.51 H new ATOM 0 HG13 ILE A 443 104.314 -0.479 2.925 1.00 0.51 H new ATOM 0 HG21 ILE A 443 106.000 -2.225 2.926 1.00 0.56 H new ATOM 0 HG22 ILE A 443 107.393 -2.153 4.031 1.00 0.56 H new ATOM 0 HG23 ILE A 443 105.751 -2.369 4.682 1.00 0.56 H new ATOM 0 HD11 ILE A 443 102.862 -0.189 4.917 1.00 1.05 H new ATOM 0 HD12 ILE A 443 104.004 -1.532 5.167 1.00 1.05 H new ATOM 0 HD13 ILE A 443 104.301 0.044 5.938 1.00 1.05 H new ATOM 1971 N ALA A 444 108.730 -0.762 6.292 1.00 0.40 N ATOM 1972 CA ALA A 444 110.212 -0.881 6.393 1.00 0.44 C ATOM 1973 C ALA A 444 110.694 -2.119 5.632 1.00 0.43 C ATOM 1974 O ALA A 444 110.260 -3.223 5.892 1.00 0.45 O ATOM 1975 CB ALA A 444 110.487 -1.040 7.889 1.00 0.46 C ATOM 0 H ALA A 444 108.205 -1.358 6.932 1.00 0.40 H new ATOM 0 HA ALA A 444 110.728 -0.021 5.966 1.00 0.44 H new ATOM 0 HB1 ALA A 444 111.560 -1.135 8.054 1.00 0.46 H new ATOM 0 HB2 ALA A 444 110.114 -0.166 8.422 1.00 0.46 H new ATOM 0 HB3 ALA A 444 109.983 -1.933 8.259 1.00 0.46 H new ATOM 1981 N LEU A 445 111.568 -1.948 4.679 1.00 0.57 N ATOM 1982 CA LEU A 445 112.050 -3.122 3.895 1.00 0.63 C ATOM 1983 C LEU A 445 113.414 -3.579 4.409 1.00 0.75 C ATOM 1984 O LEU A 445 114.301 -2.778 4.628 1.00 0.92 O ATOM 1985 CB LEU A 445 112.174 -2.621 2.458 1.00 0.81 C ATOM 1986 CG LEU A 445 110.802 -2.616 1.783 1.00 1.23 C ATOM 1987 CD1 LEU A 445 109.769 -1.973 2.712 1.00 2.11 C ATOM 1988 CD2 LEU A 445 110.881 -1.814 0.482 1.00 1.91 C ATOM 0 H LEU A 445 111.969 -1.050 4.409 1.00 0.57 H new ATOM 0 HA LEU A 445 111.372 -3.972 3.977 1.00 0.63 H new ATOM 0 HB2 LEU A 445 112.595 -1.616 2.450 1.00 0.81 H new ATOM 0 HB3 LEU A 445 112.860 -3.259 1.900 1.00 0.81 H new ATOM 0 HG LEU A 445 110.503 -3.642 1.567 1.00 1.23 H new ATOM 0 HD11 LEU A 445 108.793 -1.972 2.226 1.00 2.11 H new ATOM 0 HD12 LEU A 445 109.711 -2.541 3.641 1.00 2.11 H new ATOM 0 HD13 LEU A 445 110.066 -0.947 2.932 1.00 2.11 H new ATOM 0 HD21 LEU A 445 109.904 -1.808 -0.002 1.00 1.91 H new ATOM 0 HD22 LEU A 445 111.182 -0.790 0.703 1.00 1.91 H new ATOM 0 HD23 LEU A 445 111.613 -2.271 -0.184 1.00 1.91 H new ATOM 2000 N LYS A 446 113.621 -4.864 4.496 1.00 0.89 N ATOM 2001 CA LYS A 446 114.963 -5.385 4.871 1.00 1.15 C ATOM 2002 C LYS A 446 115.849 -5.477 3.632 1.00 1.27 C ATOM 2003 O LYS A 446 115.441 -5.972 2.604 1.00 1.87 O ATOM 2004 CB LYS A 446 114.697 -6.779 5.418 1.00 1.92 C ATOM 2005 CG LYS A 446 115.952 -7.312 6.106 1.00 2.25 C ATOM 2006 CD LYS A 446 115.699 -8.749 6.560 1.00 2.85 C ATOM 2007 CE LYS A 446 116.867 -9.227 7.427 1.00 3.64 C ATOM 2008 NZ LYS A 446 116.263 -10.198 8.382 1.00 4.48 N ATOM 0 H LYS A 446 112.914 -5.578 4.322 1.00 0.89 H new ATOM 0 HA LYS A 446 115.471 -4.744 5.592 1.00 1.15 H new ATOM 0 HB2 LYS A 446 113.868 -6.750 6.125 1.00 1.92 H new ATOM 0 HB3 LYS A 446 114.403 -7.447 4.609 1.00 1.92 H new ATOM 0 HG2 LYS A 446 116.800 -7.277 5.422 1.00 2.25 H new ATOM 0 HG3 LYS A 446 116.207 -6.686 6.961 1.00 2.25 H new ATOM 0 HD2 LYS A 446 114.768 -8.804 7.124 1.00 2.85 H new ATOM 0 HD3 LYS A 446 115.586 -9.400 5.693 1.00 2.85 H new ATOM 0 HE2 LYS A 446 117.642 -9.698 6.822 1.00 3.64 H new ATOM 0 HE3 LYS A 446 117.335 -8.395 7.953 1.00 3.64 H new ATOM 0 HZ1 LYS A 446 117.002 -10.571 9.012 1.00 4.48 H new ATOM 0 HZ2 LYS A 446 115.534 -9.720 8.949 1.00 4.48 H new ATOM 0 HZ3 LYS A 446 115.831 -10.982 7.853 1.00 4.48 H new ATOM 2022 N ASP A 447 117.075 -5.067 3.746 1.00 1.33 N ATOM 2023 CA ASP A 447 118.015 -5.204 2.597 1.00 2.04 C ATOM 2024 C ASP A 447 118.847 -6.476 2.745 1.00 1.83 C ATOM 2025 O ASP A 447 119.371 -6.765 3.802 1.00 2.21 O ATOM 2026 CB ASP A 447 118.911 -3.970 2.653 1.00 2.93 C ATOM 2027 CG ASP A 447 119.699 -3.854 1.347 1.00 3.02 C ATOM 2028 OD1 ASP A 447 119.452 -4.649 0.455 1.00 2.75 O ATOM 2029 OD2 ASP A 447 120.536 -2.970 1.259 1.00 3.91 O ATOM 0 H ASP A 447 117.472 -4.642 4.584 1.00 1.33 H new ATOM 0 HA ASP A 447 117.488 -5.275 1.646 1.00 2.04 H new ATOM 0 HB2 ASP A 447 118.307 -3.076 2.807 1.00 2.93 H new ATOM 0 HB3 ASP A 447 119.595 -4.042 3.498 1.00 2.93 H new ATOM 2034 N ILE A 448 119.102 -7.148 1.661 1.00 2.00 N ATOM 2035 CA ILE A 448 120.053 -8.296 1.710 1.00 2.26 C ATOM 2036 C ILE A 448 121.398 -7.802 2.234 1.00 2.39 C ATOM 2037 O ILE A 448 122.029 -8.425 3.065 1.00 2.75 O ATOM 2038 CB ILE A 448 120.182 -8.770 0.258 1.00 2.53 C ATOM 2039 CG1 ILE A 448 118.980 -9.641 -0.113 1.00 3.34 C ATOM 2040 CG2 ILE A 448 121.463 -9.592 0.089 1.00 2.71 C ATOM 2041 CD1 ILE A 448 117.682 -8.990 0.373 1.00 3.61 C ATOM 0 H ILE A 448 118.697 -6.956 0.745 1.00 2.00 H new ATOM 0 HA ILE A 448 119.716 -9.101 2.363 1.00 2.26 H new ATOM 0 HB ILE A 448 120.218 -7.897 -0.393 1.00 2.53 H new ATOM 0 HG12 ILE A 448 118.943 -9.780 -1.193 1.00 3.34 H new ATOM 0 HG13 ILE A 448 119.088 -10.630 0.332 1.00 3.34 H new ATOM 0 HG21 ILE A 448 121.548 -9.925 -0.945 1.00 2.71 H new ATOM 0 HG22 ILE A 448 122.326 -8.977 0.344 1.00 2.71 H new ATOM 0 HG23 ILE A 448 121.428 -10.460 0.748 1.00 2.71 H new ATOM 0 HD11 ILE A 448 116.835 -9.621 0.102 1.00 3.61 H new ATOM 0 HD12 ILE A 448 117.716 -8.874 1.456 1.00 3.61 H new ATOM 0 HD13 ILE A 448 117.569 -8.011 -0.093 1.00 3.61 H new ATOM 2053 N VAL A 449 121.823 -6.667 1.761 1.00 2.65 N ATOM 2054 CA VAL A 449 123.115 -6.092 2.232 1.00 3.38 C ATOM 2055 C VAL A 449 122.862 -5.043 3.319 1.00 3.99 C ATOM 2056 O VAL A 449 122.026 -4.173 3.171 1.00 4.70 O ATOM 2057 CB VAL A 449 123.725 -5.437 0.995 1.00 4.18 C ATOM 2058 CG1 VAL A 449 125.106 -4.878 1.339 1.00 5.09 C ATOM 2059 CG2 VAL A 449 123.860 -6.479 -0.118 1.00 4.27 C ATOM 0 H VAL A 449 121.330 -6.108 1.065 1.00 2.65 H new ATOM 0 HA VAL A 449 123.771 -6.847 2.664 1.00 3.38 H new ATOM 0 HB VAL A 449 123.080 -4.625 0.659 1.00 4.18 H new ATOM 0 HG11 VAL A 449 125.540 -4.411 0.455 1.00 5.09 H new ATOM 0 HG12 VAL A 449 125.011 -4.136 2.132 1.00 5.09 H new ATOM 0 HG13 VAL A 449 125.753 -5.688 1.676 1.00 5.09 H new ATOM 0 HG21 VAL A 449 124.295 -6.013 -1.002 1.00 4.27 H new ATOM 0 HG22 VAL A 449 124.505 -7.290 0.219 1.00 4.27 H new ATOM 0 HG23 VAL A 449 122.876 -6.877 -0.365 1.00 4.27 H new ATOM 2069 N LYS A 450 123.629 -5.072 4.374 1.00 4.08 N ATOM 2070 CA LYS A 450 123.489 -4.024 5.426 1.00 5.12 C ATOM 2071 C LYS A 450 124.861 -3.681 6.014 1.00 5.65 C ATOM 2072 O LYS A 450 125.621 -4.551 6.390 1.00 6.68 O ATOM 2073 CB LYS A 450 122.585 -4.645 6.493 1.00 5.87 C ATOM 2074 CG LYS A 450 122.305 -3.614 7.588 1.00 5.93 C ATOM 2075 CD LYS A 450 121.457 -4.254 8.689 1.00 6.39 C ATOM 2076 CE LYS A 450 121.049 -3.187 9.706 1.00 6.77 C ATOM 2077 NZ LYS A 450 120.348 -3.934 10.787 1.00 7.50 N ATOM 0 H LYS A 450 124.346 -5.775 4.554 1.00 4.08 H new ATOM 0 HA LYS A 450 123.071 -3.097 5.032 1.00 5.12 H new ATOM 0 HB2 LYS A 450 121.649 -4.977 6.043 1.00 5.87 H new ATOM 0 HB3 LYS A 450 123.063 -5.526 6.922 1.00 5.87 H new ATOM 0 HG2 LYS A 450 123.243 -3.247 8.004 1.00 5.93 H new ATOM 0 HG3 LYS A 450 121.784 -2.754 7.167 1.00 5.93 H new ATOM 0 HD2 LYS A 450 120.570 -4.717 8.256 1.00 6.39 H new ATOM 0 HD3 LYS A 450 122.021 -5.045 9.183 1.00 6.39 H new ATOM 0 HE2 LYS A 450 121.919 -2.657 10.093 1.00 6.77 H new ATOM 0 HE3 LYS A 450 120.396 -2.440 9.254 1.00 6.77 H new ATOM 0 HZ1 LYS A 450 120.037 -3.269 11.524 1.00 7.50 H new ATOM 0 HZ2 LYS A 450 119.520 -4.423 10.391 1.00 7.50 H new ATOM 0 HZ3 LYS A 450 120.996 -4.633 11.203 1.00 7.50 H new ATOM 2091 N GLY A 451 125.183 -2.419 6.096 1.00 5.14 N ATOM 2092 CA GLY A 451 126.505 -2.022 6.659 1.00 5.92 C ATOM 2093 C GLY A 451 126.327 -0.810 7.575 1.00 6.73 C ATOM 2094 O GLY A 451 127.251 -0.511 8.314 1.00 7.01 O ATOM 2095 OXT GLY A 451 125.271 -0.202 7.522 1.00 7.30 O ATOM 0 H GLY A 451 124.588 -1.646 5.798 1.00 5.14 H new ATOM 0 HA2 GLY A 451 126.939 -2.852 7.217 1.00 5.92 H new ATOM 0 HA3 GLY A 451 127.198 -1.783 5.853 1.00 5.92 H new TER 2099 GLY A 451 HETATM 2100 PG ANP A1001 113.151 0.193 -11.663 1.00 0.00 P HETATM 2101 O1G ANP A1001 114.427 -0.456 -12.134 1.00 0.00 O HETATM 2102 O2G ANP A1001 111.961 -0.334 -12.425 1.00 0.00 O HETATM 2103 O3G ANP A1001 113.237 1.693 -11.758 1.00 0.00 O HETATM 2104 PB ANP A1001 114.281 -0.121 -9.196 1.00 0.00 P HETATM 2105 O1B ANP A1001 114.562 -1.501 -8.676 1.00 0.00 O HETATM 2106 O2B ANP A1001 115.404 0.403 -10.046 1.00 0.00 O HETATM 2107 N3B ANP A1001 112.948 -0.189 -10.109 1.00 0.00 N HETATM 2108 PA ANP A1001 114.848 2.056 -7.464 1.00 0.00 P HETATM 2109 O1A ANP A1001 116.057 1.420 -6.889 1.00 0.00 O HETATM 2110 O2A ANP A1001 115.086 3.062 -8.527 1.00 0.00 O HETATM 2111 O3A ANP A1001 113.858 0.907 -8.027 1.00 0.00 O HETATM 2112 O5' ANP A1001 113.983 2.731 -6.274 1.00 0.00 O HETATM 2113 C5' ANP A1001 112.595 3.102 -6.431 1.00 0.00 C HETATM 2114 C4' ANP A1001 111.986 3.418 -5.072 1.00 0.00 C HETATM 2115 O4' ANP A1001 110.553 3.200 -5.164 1.00 0.00 O HETATM 2116 C3' ANP A1001 112.543 2.332 -4.171 1.00 0.00 C HETATM 2117 O3' ANP A1001 113.786 2.707 -3.592 1.00 0.00 O HETATM 2118 C2' ANP A1001 111.467 2.217 -3.125 1.00 0.00 C HETATM 2119 O2' ANP A1001 111.680 3.124 -2.051 1.00 0.00 O HETATM 2120 C1' ANP A1001 110.197 2.575 -3.899 1.00 0.00 C HETATM 2121 N9 ANP A1001 109.410 1.330 -4.228 1.00 0.00 N HETATM 2122 C8 ANP A1001 109.917 0.089 -4.282 1.00 0.00 C HETATM 2123 N7 ANP A1001 108.963 -0.794 -4.588 1.00 0.00 N HETATM 2124 C5 ANP A1001 107.831 -0.122 -4.738 1.00 0.00 C HETATM 2125 C6 ANP A1001 106.481 -0.457 -5.044 1.00 0.00 C HETATM 2126 N6 ANP A1001 106.128 -1.723 -5.244 1.00 0.00 N HETATM 2127 N1 ANP A1001 105.530 0.534 -5.120 1.00 0.00 N HETATM 2128 C2 ANP A1001 105.814 1.856 -4.908 1.00 0.00 C HETATM 2129 N3 ANP A1001 107.103 2.194 -4.616 1.00 0.00 N HETATM 2130 C4 ANP A1001 108.112 1.248 -4.515 1.00 0.00 C HETATM 0 HO3' ANP A1001 114.436 2.889 -4.302 1.00 0.00 H new HETATM 0 HO2' ANP A1001 112.580 3.506 -2.119 1.00 0.00 H new HETATM 0 HNB1 ANP A1001 112.040 -0.455 -9.728 1.00 0.00 H new HETATM 0 HN62 ANP A1001 105.159 -1.954 -5.463 1.00 0.00 H new HETATM 0 HN61 ANP A1001 106.826 -2.464 -5.179 1.00 0.00 H new HETATM 0 H5'2 ANP A1001 112.513 3.969 -7.086 1.00 0.00 H new HETATM 0 H5'1 ANP A1001 112.044 2.290 -6.906 1.00 0.00 H new HETATM 0 H8 ANP A1001 110.962 -0.163 -4.101 1.00 0.00 H new HETATM 0 H4' ANP A1001 112.193 4.432 -4.730 1.00 0.00 H new HETATM 0 H3' ANP A1001 112.757 1.401 -4.695 1.00 0.00 H new HETATM 0 H2' ANP A1001 111.431 1.231 -2.662 1.00 0.00 H new HETATM 0 H2 ANP A1001 105.034 2.615 -4.971 1.00 0.00 H new HETATM 0 H1' ANP A1001 109.606 3.248 -3.278 1.00 0.00 H new