USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=23 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 : no HD1:sc= -3.11! C(o=-4!,f=-5.4!) USER MOD Set 1.2: A 408 ASN : amide:sc= -0.933 K(o=-4,f=-4.7!) USER MOD Set 2.1: A 387 ASN :FLIP amide:sc= -7.25! C(o=-19!,f=-13!) USER MOD Set 2.2: A 392 MET CE :methyl -151:sc= -5.48! (180deg=-3.2!) USER MOD Set 3.1: A 378 THR OG1 : rot -176:sc= 0.968 USER MOD Set 3.2: A 381 SER OG : rot -78:sc= 1.16 USER MOD Single : A 316 ASN :FLIP amide:sc= -5.33! C(o=-6.3!,f=-5.3!) USER MOD Single : A 318 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 320 SER OG : rot -170:sc= 0 USER MOD Single : A 326 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 331 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 332 THR OG1 : rot -170:sc= -1.38 USER MOD Single : A 338 GLN : amide:sc= -15.9! C(o=-16!,f=-32!) USER MOD Single : A 341 SER OG : rot -4:sc= -3.95! USER MOD Single : A 346 THR OG1 : rot 158:sc= -0.635 USER MOD Single : A 351 SER OG : rot -91:sc= 0.0538 USER MOD Single : A 357 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.0583) USER MOD Single : A 358 GLN : amide:sc= -0.0167 K(o=-0.017,f=-0.88) USER MOD Single : A 361 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 368 GLN : amide:sc=-0.000362 K(o=-0.00036,f=-1.5!) USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 371 HIS : no HD1:sc=-0.00128 X(o=-0.0013,f=-0.0013) USER MOD Single : A 373 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 383 MET CE :methyl -116:sc= -1.8 (180deg=-9.18!) USER MOD Single : A 384 SER OG : rot -147:sc= 1.06 USER MOD Single : A 390 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.14) USER MOD Single : A 395 LYS NZ :NH3+ -178:sc= -10.8! (180deg=-11!) USER MOD Single : A 397 SER OG : rot -110:sc= -4.56! USER MOD Single : A 411 HIS : no HD1:sc= -0.0143 X(o=-0.014,f=-0.032) USER MOD Single : A 414 THR OG1 : rot 180:sc= 0 USER MOD Single : A 418 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 419 LYS NZ :NH3+ -112:sc= 0 (180deg=-0.658) USER MOD Single : A 422 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 426 GLN : amide:sc= -0.559 X(o=-0.56,f=-0.46) 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 -26:sc= -5.55! USER MOD Single : A1001 ANP O3' : rot 180:sc= 0.226 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 316 116.988 -5.271 -5.272 1.00 4.45 N ATOM 2 CA ASN A 316 117.287 -6.130 -4.090 1.00 3.89 C ATOM 3 C ASN A 316 116.631 -5.549 -2.834 1.00 2.72 C ATOM 4 O ASN A 316 117.285 -5.292 -1.843 1.00 2.74 O ATOM 5 CB ASN A 316 118.809 -6.106 -3.959 1.00 4.56 C ATOM 6 CG ASN A 316 119.438 -6.758 -5.192 1.00 5.35 C ATOM 7 OD1 ASN A 316 120.686 -6.508 -5.483 1.00 5.50 O flip ATOM 8 ND2 ASN A 316 118.787 -7.502 -5.899 1.00 6.08 N flip ATOM 0 HA ASN A 316 116.904 -7.143 -4.208 1.00 3.89 H new ATOM 0 HB2 ASN A 316 119.160 -5.079 -3.859 1.00 4.56 H new ATOM 0 HB3 ASN A 316 119.115 -6.637 -3.058 1.00 4.56 H new ATOM 0 HD21 ASN A 316 117.812 -7.698 -5.672 1.00 6.08 H new ATOM 0 HD22 ASN A 316 119.216 -7.931 -6.719 1.00 6.08 H new ATOM 15 N ARG A 317 115.343 -5.343 -2.869 1.00 2.20 N ATOM 16 CA ARG A 317 114.645 -4.783 -1.676 1.00 1.30 C ATOM 17 C ARG A 317 113.372 -5.580 -1.385 1.00 1.48 C ATOM 18 O ARG A 317 112.613 -5.909 -2.275 1.00 1.26 O ATOM 19 CB ARG A 317 114.300 -3.343 -2.058 1.00 1.52 C ATOM 20 CG ARG A 317 115.590 -2.544 -2.254 1.00 2.49 C ATOM 21 CD ARG A 317 115.247 -1.078 -2.528 1.00 3.27 C ATOM 22 NE ARG A 317 116.542 -0.443 -2.898 1.00 4.34 N ATOM 23 CZ ARG A 317 117.065 -0.653 -4.077 1.00 5.21 C ATOM 24 NH1 ARG A 317 116.456 -1.422 -4.940 1.00 5.83 N ATOM 25 NH2 ARG A 317 118.200 -0.093 -4.395 1.00 5.72 N ATOM 0 H ARG A 317 114.744 -5.538 -3.671 1.00 2.20 H new ATOM 0 HA ARG A 317 115.261 -4.830 -0.778 1.00 1.30 H new ATOM 0 HB2 ARG A 317 113.709 -3.330 -2.974 1.00 1.52 H new ATOM 0 HB3 ARG A 317 113.691 -2.885 -1.279 1.00 1.52 H new ATOM 0 HG2 ARG A 317 116.217 -2.622 -1.366 1.00 2.49 H new ATOM 0 HG3 ARG A 317 116.162 -2.956 -3.085 1.00 2.49 H new ATOM 0 HD2 ARG A 317 114.518 -0.987 -3.333 1.00 3.27 H new ATOM 0 HD3 ARG A 317 114.811 -0.603 -1.649 1.00 3.27 H new ATOM 0 HE ARG A 317 117.023 0.158 -2.229 1.00 4.34 H new ATOM 0 HH11 ARG A 317 115.569 -1.861 -4.695 1.00 5.83 H new ATOM 0 HH12 ARG A 317 116.868 -1.583 -5.859 1.00 5.83 H new ATOM 0 HH21 ARG A 317 118.678 0.508 -3.724 1.00 5.72 H new ATOM 0 HH22 ARG A 317 118.609 -0.256 -5.315 1.00 5.72 H new ATOM 39 N GLN A 318 113.120 -5.866 -0.139 1.00 2.19 N ATOM 40 CA GLN A 318 111.879 -6.611 0.224 1.00 2.64 C ATOM 41 C GLN A 318 111.235 -5.988 1.462 1.00 2.16 C ATOM 42 O GLN A 318 111.905 -5.669 2.421 1.00 2.69 O ATOM 43 CB GLN A 318 112.352 -8.034 0.526 1.00 3.37 C ATOM 44 CG GLN A 318 111.181 -8.866 1.054 1.00 4.16 C ATOM 45 CD GLN A 318 111.657 -10.292 1.340 1.00 4.79 C ATOM 46 OE1 GLN A 318 112.774 -10.647 1.020 1.00 4.85 O ATOM 47 NE2 GLN A 318 110.850 -11.129 1.931 1.00 5.58 N ATOM 0 H GLN A 318 113.720 -5.616 0.647 1.00 2.19 H new ATOM 0 HA GLN A 318 111.132 -6.587 -0.569 1.00 2.64 H new ATOM 0 HB2 GLN A 318 112.758 -8.492 -0.376 1.00 3.37 H new ATOM 0 HB3 GLN A 318 113.156 -8.012 1.262 1.00 3.37 H new ATOM 0 HG2 GLN A 318 110.781 -8.415 1.962 1.00 4.16 H new ATOM 0 HG3 GLN A 318 110.373 -8.881 0.323 1.00 4.16 H new ATOM 0 HE21 GLN A 318 109.912 -10.830 2.199 1.00 5.58 H new ATOM 0 HE22 GLN A 318 111.157 -12.082 2.125 1.00 5.58 H new ATOM 56 N ALA A 319 109.934 -5.893 1.493 1.00 1.32 N ATOM 57 CA ALA A 319 109.269 -5.382 2.725 1.00 1.05 C ATOM 58 C ALA A 319 109.421 -6.393 3.855 1.00 0.89 C ATOM 59 O ALA A 319 109.108 -7.558 3.703 1.00 1.18 O ATOM 60 CB ALA A 319 107.798 -5.232 2.359 1.00 1.42 C ATOM 0 H ALA A 319 109.308 -6.144 0.728 1.00 1.32 H new ATOM 0 HA ALA A 319 109.704 -4.441 3.062 1.00 1.05 H new ATOM 0 HB1 ALA A 319 107.245 -4.859 3.221 1.00 1.42 H new ATOM 0 HB2 ALA A 319 107.699 -4.529 1.532 1.00 1.42 H new ATOM 0 HB3 ALA A 319 107.396 -6.201 2.062 1.00 1.42 H new ATOM 66 N SER A 320 109.795 -5.944 5.015 1.00 0.59 N ATOM 67 CA SER A 320 109.839 -6.873 6.175 1.00 0.64 C ATOM 68 C SER A 320 108.723 -6.541 7.171 1.00 0.49 C ATOM 69 O SER A 320 108.127 -7.420 7.761 1.00 0.50 O ATOM 70 CB SER A 320 111.213 -6.661 6.809 1.00 0.78 C ATOM 71 OG SER A 320 112.146 -7.554 6.217 1.00 1.60 O ATOM 0 H SER A 320 110.071 -4.982 5.212 1.00 0.59 H new ATOM 0 HA SER A 320 109.690 -7.910 5.874 1.00 0.64 H new ATOM 0 HB2 SER A 320 111.537 -5.630 6.666 1.00 0.78 H new ATOM 0 HB3 SER A 320 111.160 -6.832 7.884 1.00 0.78 H new ATOM 0 HG SER A 320 112.985 -7.534 6.724 1.00 1.60 H new ATOM 77 N GLU A 321 108.467 -5.282 7.401 1.00 0.45 N ATOM 78 CA GLU A 321 107.426 -4.909 8.404 1.00 0.44 C ATOM 79 C GLU A 321 106.664 -3.658 7.963 1.00 0.37 C ATOM 80 O GLU A 321 107.230 -2.741 7.410 1.00 0.35 O ATOM 81 CB GLU A 321 108.200 -4.631 9.689 1.00 0.59 C ATOM 82 CG GLU A 321 107.225 -4.198 10.783 1.00 0.73 C ATOM 83 CD GLU A 321 108.004 -3.832 12.048 1.00 1.02 C ATOM 84 OE1 GLU A 321 109.221 -3.894 12.008 1.00 1.82 O ATOM 85 OE2 GLU A 321 107.369 -3.495 13.034 1.00 1.30 O ATOM 0 H GLU A 321 108.930 -4.498 6.941 1.00 0.45 H new ATOM 0 HA GLU A 321 106.684 -5.697 8.528 1.00 0.44 H new ATOM 0 HB2 GLU A 321 108.741 -5.524 10.001 1.00 0.59 H new ATOM 0 HB3 GLU A 321 108.942 -3.851 9.518 1.00 0.59 H new ATOM 0 HG2 GLU A 321 106.639 -3.344 10.445 1.00 0.73 H new ATOM 0 HG3 GLU A 321 106.522 -5.003 10.997 1.00 0.73 H new ATOM 92 N PHE A 322 105.414 -3.561 8.319 1.00 0.40 N ATOM 93 CA PHE A 322 104.653 -2.305 8.046 1.00 0.37 C ATOM 94 C PHE A 322 104.206 -1.661 9.360 1.00 0.38 C ATOM 95 O PHE A 322 103.830 -2.337 10.297 1.00 0.42 O ATOM 96 CB PHE A 322 103.443 -2.736 7.211 1.00 0.41 C ATOM 97 CG PHE A 322 102.841 -3.994 7.787 1.00 0.52 C ATOM 98 CD1 PHE A 322 102.112 -3.942 8.984 1.00 0.67 C ATOM 99 CD2 PHE A 322 103.008 -5.214 7.120 1.00 0.94 C ATOM 100 CE1 PHE A 322 101.550 -5.113 9.512 1.00 0.87 C ATOM 101 CE2 PHE A 322 102.448 -6.384 7.647 1.00 1.14 C ATOM 102 CZ PHE A 322 101.718 -6.334 8.844 1.00 1.00 C ATOM 0 H PHE A 322 104.884 -4.296 8.787 1.00 0.40 H new ATOM 0 HA PHE A 322 105.257 -1.565 7.522 1.00 0.37 H new ATOM 0 HB2 PHE A 322 102.698 -1.940 7.197 1.00 0.41 H new ATOM 0 HB3 PHE A 322 103.746 -2.908 6.178 1.00 0.41 H new ATOM 0 HD1 PHE A 322 101.984 -3.001 9.498 1.00 0.67 H new ATOM 0 HD2 PHE A 322 103.569 -5.252 6.198 1.00 0.94 H new ATOM 0 HE1 PHE A 322 100.988 -5.074 10.433 1.00 0.87 H new ATOM 0 HE2 PHE A 322 102.578 -7.325 7.132 1.00 1.14 H new ATOM 0 HZ PHE A 322 101.285 -7.236 9.251 1.00 1.00 H new ATOM 112 N ILE A 323 104.194 -0.357 9.415 1.00 0.37 N ATOM 113 CA ILE A 323 103.711 0.332 10.651 1.00 0.41 C ATOM 114 C ILE A 323 102.648 1.377 10.299 1.00 0.43 C ATOM 115 O ILE A 323 102.783 2.099 9.334 1.00 0.53 O ATOM 116 CB ILE A 323 104.938 1.013 11.254 1.00 0.44 C ATOM 117 CG1 ILE A 323 106.153 0.085 11.157 1.00 0.46 C ATOM 118 CG2 ILE A 323 104.656 1.326 12.723 1.00 0.48 C ATOM 119 CD1 ILE A 323 105.882 -1.193 11.953 1.00 0.52 C ATOM 0 H ILE A 323 104.496 0.261 8.662 1.00 0.37 H new ATOM 0 HA ILE A 323 103.255 -0.371 11.348 1.00 0.41 H new ATOM 0 HB ILE A 323 105.149 1.932 10.708 1.00 0.44 H new ATOM 0 HG12 ILE A 323 106.355 -0.159 10.114 1.00 0.46 H new ATOM 0 HG13 ILE A 323 107.039 0.587 11.545 1.00 0.46 H new ATOM 0 HG21 ILE A 323 105.526 1.813 13.165 1.00 0.48 H new ATOM 0 HG22 ILE A 323 103.794 1.989 12.795 1.00 0.48 H new ATOM 0 HG23 ILE A 323 104.447 0.400 13.259 1.00 0.48 H new ATOM 0 HD11 ILE A 323 106.746 -1.854 11.885 1.00 0.52 H new ATOM 0 HD12 ILE A 323 105.701 -0.940 12.997 1.00 0.52 H new ATOM 0 HD13 ILE A 323 105.006 -1.697 11.545 1.00 0.52 H new ATOM 131 N PRO A 324 101.587 1.372 11.061 1.00 0.36 N ATOM 132 CA PRO A 324 100.443 2.272 10.781 1.00 0.40 C ATOM 133 C PRO A 324 100.853 3.740 10.886 1.00 0.64 C ATOM 134 O PRO A 324 101.718 4.101 11.659 1.00 1.44 O ATOM 135 CB PRO A 324 99.419 1.943 11.861 1.00 0.33 C ATOM 136 CG PRO A 324 99.891 0.690 12.525 1.00 0.30 C ATOM 137 CD PRO A 324 101.360 0.539 12.243 1.00 0.29 C ATOM 0 HA PRO A 324 100.058 2.128 9.771 1.00 0.40 H new ATOM 0 HB2 PRO A 324 99.339 2.757 12.581 1.00 0.33 H new ATOM 0 HB3 PRO A 324 98.429 1.803 11.427 1.00 0.33 H new ATOM 0 HG2 PRO A 324 99.712 0.738 13.599 1.00 0.30 H new ATOM 0 HG3 PRO A 324 99.340 -0.172 12.148 1.00 0.30 H new ATOM 0 HD2 PRO A 324 101.964 0.873 13.087 1.00 0.29 H new ATOM 0 HD3 PRO A 324 101.624 -0.501 12.054 1.00 0.29 H new ATOM 145 N ALA A 325 100.111 4.601 10.247 1.00 0.75 N ATOM 146 CA ALA A 325 100.314 6.059 10.458 1.00 0.98 C ATOM 147 C ALA A 325 99.669 6.478 11.778 1.00 0.81 C ATOM 148 O ALA A 325 99.359 5.656 12.617 1.00 1.11 O ATOM 149 CB ALA A 325 99.611 6.732 9.279 1.00 1.58 C ATOM 0 H ALA A 325 99.372 4.356 9.587 1.00 0.75 H new ATOM 0 HA ALA A 325 101.367 6.334 10.509 1.00 0.98 H new ATOM 0 HB1 ALA A 325 99.716 7.814 9.362 1.00 1.58 H new ATOM 0 HB2 ALA A 325 100.062 6.394 8.346 1.00 1.58 H new ATOM 0 HB3 ALA A 325 98.553 6.468 9.287 1.00 1.58 H new ATOM 155 N GLN A 326 99.506 7.750 11.988 1.00 0.91 N ATOM 156 CA GLN A 326 98.929 8.221 13.279 1.00 1.48 C ATOM 157 C GLN A 326 97.493 7.703 13.443 1.00 1.32 C ATOM 158 O GLN A 326 96.563 8.240 12.876 1.00 1.83 O ATOM 159 CB GLN A 326 98.940 9.747 13.176 1.00 2.25 C ATOM 160 CG GLN A 326 98.537 10.352 14.522 1.00 3.14 C ATOM 161 CD GLN A 326 98.419 11.871 14.384 1.00 3.55 C ATOM 162 OE1 GLN A 326 97.632 12.363 13.600 1.00 4.00 O ATOM 163 NE2 GLN A 326 99.176 12.641 15.118 1.00 3.92 N ATOM 0 H GLN A 326 99.746 8.486 11.324 1.00 0.91 H new ATOM 0 HA GLN A 326 99.493 7.862 14.140 1.00 1.48 H new ATOM 0 HB2 GLN A 326 99.933 10.096 12.891 1.00 2.25 H new ATOM 0 HB3 GLN A 326 98.251 10.075 12.397 1.00 2.25 H new ATOM 0 HG2 GLN A 326 97.587 9.931 14.852 1.00 3.14 H new ATOM 0 HG3 GLN A 326 99.278 10.102 15.282 1.00 3.14 H new ATOM 0 HE21 GLN A 326 99.837 12.228 15.776 1.00 3.92 H new ATOM 0 HE22 GLN A 326 99.106 13.655 15.033 1.00 3.92 H new ATOM 172 N GLY A 327 97.296 6.728 14.293 1.00 1.28 N ATOM 173 CA GLY A 327 95.909 6.256 14.582 1.00 1.48 C ATOM 174 C GLY A 327 95.511 5.138 13.612 1.00 1.24 C ATOM 175 O GLY A 327 94.343 4.886 13.392 1.00 1.52 O ATOM 0 H GLY A 327 98.035 6.239 14.799 1.00 1.28 H new ATOM 0 HA2 GLY A 327 95.848 5.894 15.608 1.00 1.48 H new ATOM 0 HA3 GLY A 327 95.210 7.088 14.495 1.00 1.48 H new ATOM 179 N VAL A 328 96.464 4.516 12.973 1.00 0.93 N ATOM 180 CA VAL A 328 96.123 3.477 11.954 1.00 1.03 C ATOM 181 C VAL A 328 96.408 2.070 12.495 1.00 1.06 C ATOM 182 O VAL A 328 97.298 1.872 13.297 1.00 1.71 O ATOM 183 CB VAL A 328 97.029 3.783 10.762 1.00 1.43 C ATOM 184 CG1 VAL A 328 96.714 2.813 9.622 1.00 1.73 C ATOM 185 CG2 VAL A 328 96.782 5.218 10.291 1.00 1.57 C ATOM 0 H VAL A 328 97.461 4.680 13.110 1.00 0.93 H new ATOM 0 HA VAL A 328 95.066 3.500 11.687 1.00 1.03 H new ATOM 0 HB VAL A 328 98.072 3.671 11.059 1.00 1.43 H new ATOM 0 HG11 VAL A 328 97.359 3.030 8.771 1.00 1.73 H new ATOM 0 HG12 VAL A 328 96.886 1.790 9.957 1.00 1.73 H new ATOM 0 HG13 VAL A 328 95.671 2.927 9.325 1.00 1.73 H new ATOM 0 HG21 VAL A 328 97.428 5.438 9.441 1.00 1.57 H new ATOM 0 HG22 VAL A 328 95.739 5.329 9.993 1.00 1.57 H new ATOM 0 HG23 VAL A 328 97.003 5.911 11.103 1.00 1.57 H new ATOM 195 N ASP A 329 95.697 1.083 12.015 1.00 1.16 N ATOM 196 CA ASP A 329 95.977 -0.321 12.445 1.00 1.20 C ATOM 197 C ASP A 329 97.050 -0.944 11.545 1.00 1.16 C ATOM 198 O ASP A 329 97.165 -0.614 10.381 1.00 1.39 O ATOM 199 CB ASP A 329 94.652 -1.063 12.284 1.00 1.44 C ATOM 200 CG ASP A 329 94.763 -2.449 12.923 1.00 1.37 C ATOM 201 OD1 ASP A 329 95.785 -2.719 13.531 1.00 2.02 O ATOM 202 OD2 ASP A 329 93.823 -3.216 12.793 1.00 1.69 O ATOM 0 H ASP A 329 94.935 1.187 11.345 1.00 1.16 H new ATOM 0 HA ASP A 329 96.348 -0.370 13.469 1.00 1.20 H new ATOM 0 HB2 ASP A 329 93.847 -0.498 12.753 1.00 1.44 H new ATOM 0 HB3 ASP A 329 94.401 -1.157 11.227 1.00 1.44 H new ATOM 207 N GLU A 330 97.899 -1.763 12.102 1.00 1.13 N ATOM 208 CA GLU A 330 99.041 -2.314 11.307 1.00 1.11 C ATOM 209 C GLU A 330 98.527 -3.232 10.196 1.00 0.97 C ATOM 210 O GLU A 330 98.995 -3.188 9.077 1.00 0.91 O ATOM 211 CB GLU A 330 99.874 -3.108 12.315 1.00 1.28 C ATOM 212 CG GLU A 330 99.147 -4.406 12.672 1.00 1.68 C ATOM 213 CD GLU A 330 99.919 -5.138 13.772 1.00 2.07 C ATOM 214 OE1 GLU A 330 100.993 -4.677 14.122 1.00 2.70 O ATOM 215 OE2 GLU A 330 99.423 -6.148 14.245 1.00 2.49 O ATOM 0 H GLU A 330 97.854 -2.076 13.072 1.00 1.13 H new ATOM 0 HA GLU A 330 99.621 -1.529 10.822 1.00 1.11 H new ATOM 0 HB2 GLU A 330 100.855 -3.332 11.895 1.00 1.28 H new ATOM 0 HB3 GLU A 330 100.040 -2.513 13.213 1.00 1.28 H new ATOM 0 HG2 GLU A 330 98.134 -4.187 13.008 1.00 1.68 H new ATOM 0 HG3 GLU A 330 99.060 -5.041 11.790 1.00 1.68 H new ATOM 222 N LYS A 331 97.514 -4.004 10.471 1.00 0.98 N ATOM 223 CA LYS A 331 96.919 -4.850 9.400 1.00 0.92 C ATOM 224 C LYS A 331 96.432 -3.964 8.254 1.00 0.81 C ATOM 225 O LYS A 331 96.579 -4.292 7.095 1.00 0.80 O ATOM 226 CB LYS A 331 95.744 -5.566 10.062 1.00 1.02 C ATOM 227 CG LYS A 331 95.142 -6.565 9.075 1.00 1.49 C ATOM 228 CD LYS A 331 93.946 -7.268 9.720 1.00 2.27 C ATOM 229 CE LYS A 331 93.442 -8.375 8.792 1.00 2.60 C ATOM 230 NZ LYS A 331 92.838 -9.391 9.699 1.00 3.03 N ATOM 0 H LYS A 331 97.074 -4.086 11.387 1.00 0.98 H new ATOM 0 HA LYS A 331 97.635 -5.556 8.981 1.00 0.92 H new ATOM 0 HB2 LYS A 331 96.078 -6.082 10.962 1.00 1.02 H new ATOM 0 HB3 LYS A 331 94.990 -4.843 10.371 1.00 1.02 H new ATOM 0 HG2 LYS A 331 94.828 -6.050 8.167 1.00 1.49 H new ATOM 0 HG3 LYS A 331 95.893 -7.299 8.781 1.00 1.49 H new ATOM 0 HD2 LYS A 331 94.235 -7.690 10.683 1.00 2.27 H new ATOM 0 HD3 LYS A 331 93.149 -6.550 9.913 1.00 2.27 H new ATOM 0 HE2 LYS A 331 92.708 -7.992 8.083 1.00 2.60 H new ATOM 0 HE3 LYS A 331 94.257 -8.802 8.208 1.00 2.60 H new ATOM 0 HZ1 LYS A 331 92.469 -10.184 9.136 1.00 3.03 H new ATOM 0 HZ2 LYS A 331 93.562 -9.742 10.358 1.00 3.03 H new ATOM 0 HZ3 LYS A 331 92.061 -8.958 10.237 1.00 3.03 H new ATOM 244 N THR A 332 95.868 -2.833 8.570 1.00 0.78 N ATOM 245 CA THR A 332 95.388 -1.917 7.498 1.00 0.74 C ATOM 246 C THR A 332 96.548 -1.501 6.591 1.00 0.65 C ATOM 247 O THR A 332 96.439 -1.523 5.381 1.00 0.66 O ATOM 248 CB THR A 332 94.827 -0.703 8.239 1.00 0.77 C ATOM 249 OG1 THR A 332 93.812 -1.127 9.139 1.00 0.90 O ATOM 250 CG2 THR A 332 94.240 0.285 7.231 1.00 0.82 C ATOM 0 H THR A 332 95.718 -2.503 9.523 1.00 0.78 H new ATOM 0 HA THR A 332 94.642 -2.389 6.858 1.00 0.74 H new ATOM 0 HB THR A 332 95.626 -0.216 8.797 1.00 0.77 H new ATOM 0 HG1 THR A 332 93.344 -0.344 9.497 1.00 0.90 H new ATOM 0 HG21 THR A 332 93.840 1.150 7.760 1.00 0.82 H new ATOM 0 HG22 THR A 332 95.020 0.609 6.543 1.00 0.82 H new ATOM 0 HG23 THR A 332 93.440 -0.199 6.671 1.00 0.82 H new ATOM 258 N LEU A 333 97.654 -1.101 7.159 1.00 0.59 N ATOM 259 CA LEU A 333 98.797 -0.661 6.310 1.00 0.57 C ATOM 260 C LEU A 333 99.297 -1.805 5.425 1.00 0.58 C ATOM 261 O LEU A 333 99.553 -1.629 4.250 1.00 0.54 O ATOM 262 CB LEU A 333 99.894 -0.240 7.281 1.00 0.68 C ATOM 263 CG LEU A 333 101.188 -0.038 6.494 1.00 0.64 C ATOM 264 CD1 LEU A 333 100.991 1.079 5.468 1.00 0.93 C ATOM 265 CD2 LEU A 333 102.318 0.346 7.447 1.00 0.87 C ATOM 0 H LEU A 333 97.814 -1.060 8.165 1.00 0.59 H new ATOM 0 HA LEU A 333 98.501 0.150 5.645 1.00 0.57 H new ATOM 0 HB2 LEU A 333 99.614 0.681 7.792 1.00 0.68 H new ATOM 0 HB3 LEU A 333 100.033 -1.001 8.049 1.00 0.68 H new ATOM 0 HG LEU A 333 101.445 -0.966 5.983 1.00 0.64 H new ATOM 0 HD11 LEU A 333 101.914 1.224 4.906 1.00 0.93 H new ATOM 0 HD12 LEU A 333 100.188 0.806 4.783 1.00 0.93 H new ATOM 0 HD13 LEU A 333 100.731 2.004 5.983 1.00 0.93 H new ATOM 0 HD21 LEU A 333 103.239 0.489 6.881 1.00 0.87 H new ATOM 0 HD22 LEU A 333 102.061 1.272 7.962 1.00 0.87 H new ATOM 0 HD23 LEU A 333 102.462 -0.448 8.179 1.00 0.87 H new ATOM 277 N ALA A 334 99.450 -2.970 5.980 1.00 0.66 N ATOM 278 CA ALA A 334 99.952 -4.116 5.173 1.00 0.73 C ATOM 279 C ALA A 334 98.980 -4.415 4.031 1.00 0.68 C ATOM 280 O ALA A 334 99.367 -4.773 2.939 1.00 0.66 O ATOM 281 CB ALA A 334 100.007 -5.286 6.155 1.00 0.87 C ATOM 0 H ALA A 334 99.250 -3.181 6.958 1.00 0.66 H new ATOM 0 HA ALA A 334 100.923 -3.918 4.719 1.00 0.73 H new ATOM 0 HB1 ALA A 334 100.369 -6.176 5.640 1.00 0.87 H new ATOM 0 HB2 ALA A 334 100.682 -5.041 6.975 1.00 0.87 H new ATOM 0 HB3 ALA A 334 99.009 -5.476 6.551 1.00 0.87 H new ATOM 287 N ASP A 335 97.717 -4.314 4.288 1.00 0.67 N ATOM 288 CA ASP A 335 96.718 -4.652 3.237 1.00 0.65 C ATOM 289 C ASP A 335 96.787 -3.664 2.068 1.00 0.62 C ATOM 290 O ASP A 335 96.787 -4.051 0.916 1.00 0.69 O ATOM 291 CB ASP A 335 95.374 -4.538 3.936 1.00 0.67 C ATOM 292 CG ASP A 335 94.266 -5.038 3.007 1.00 1.19 C ATOM 293 OD1 ASP A 335 94.056 -6.238 2.961 1.00 1.96 O ATOM 294 OD2 ASP A 335 93.648 -4.211 2.357 1.00 1.61 O ATOM 0 H ASP A 335 97.325 -4.012 5.180 1.00 0.67 H new ATOM 0 HA ASP A 335 96.894 -5.642 2.816 1.00 0.65 H new ATOM 0 HB2 ASP A 335 95.381 -5.122 4.856 1.00 0.67 H new ATOM 0 HB3 ASP A 335 95.186 -3.502 4.217 1.00 0.67 H new ATOM 299 N ALA A 336 96.841 -2.391 2.352 1.00 0.60 N ATOM 300 CA ALA A 336 96.898 -1.384 1.252 1.00 0.62 C ATOM 301 C ALA A 336 98.194 -1.538 0.460 1.00 0.51 C ATOM 302 O ALA A 336 98.211 -1.397 -0.744 1.00 0.55 O ATOM 303 CB ALA A 336 96.846 -0.023 1.946 1.00 0.76 C ATOM 0 H ALA A 336 96.848 -2.005 3.296 1.00 0.60 H new ATOM 0 HA ALA A 336 96.079 -1.505 0.543 1.00 0.62 H new ATOM 0 HB1 ALA A 336 96.884 0.769 1.198 1.00 0.76 H new ATOM 0 HB2 ALA A 336 95.920 0.060 2.515 1.00 0.76 H new ATOM 0 HB3 ALA A 336 97.697 0.074 2.620 1.00 0.76 H new ATOM 309 N ALA A 337 99.274 -1.848 1.114 1.00 0.46 N ATOM 310 CA ALA A 337 100.554 -2.027 0.368 1.00 0.50 C ATOM 311 C ALA A 337 100.448 -3.222 -0.584 1.00 0.62 C ATOM 312 O ALA A 337 101.032 -3.232 -1.650 1.00 0.72 O ATOM 313 CB ALA A 337 101.616 -2.283 1.437 1.00 0.50 C ATOM 0 H ALA A 337 99.331 -1.985 2.123 1.00 0.46 H new ATOM 0 HA ALA A 337 100.798 -1.156 -0.240 1.00 0.50 H new ATOM 0 HB1 ALA A 337 102.586 -2.424 0.960 1.00 0.50 H new ATOM 0 HB2 ALA A 337 101.665 -1.429 2.113 1.00 0.50 H new ATOM 0 HB3 ALA A 337 101.356 -3.178 2.002 1.00 0.50 H new ATOM 319 N GLN A 338 99.722 -4.237 -0.201 1.00 0.71 N ATOM 320 CA GLN A 338 99.598 -5.439 -1.076 1.00 0.91 C ATOM 321 C GLN A 338 98.791 -5.126 -2.340 1.00 0.94 C ATOM 322 O GLN A 338 99.206 -5.437 -3.438 1.00 1.06 O ATOM 323 CB GLN A 338 98.872 -6.473 -0.218 1.00 1.03 C ATOM 324 CG GLN A 338 99.772 -7.019 0.915 1.00 1.03 C ATOM 325 CD GLN A 338 101.138 -6.302 0.999 1.00 0.94 C ATOM 326 OE1 GLN A 338 101.936 -6.376 0.091 1.00 1.72 O ATOM 327 NE2 GLN A 338 101.443 -5.621 2.069 1.00 0.69 N ATOM 0 H GLN A 338 99.209 -4.286 0.679 1.00 0.71 H new ATOM 0 HA GLN A 338 100.571 -5.791 -1.418 1.00 0.91 H new ATOM 0 HB2 GLN A 338 97.978 -6.023 0.214 1.00 1.03 H new ATOM 0 HB3 GLN A 338 98.541 -7.299 -0.848 1.00 1.03 H new ATOM 0 HG2 GLN A 338 99.253 -6.912 1.867 1.00 1.03 H new ATOM 0 HG3 GLN A 338 99.936 -8.085 0.759 1.00 1.03 H new ATOM 0 HE21 GLN A 338 100.776 -5.554 2.838 1.00 0.69 H new ATOM 0 HE22 GLN A 338 102.348 -5.156 2.137 1.00 0.69 H new ATOM 336 N LEU A 339 97.619 -4.572 -2.204 1.00 0.86 N ATOM 337 CA LEU A 339 96.793 -4.322 -3.425 1.00 0.90 C ATOM 338 C LEU A 339 97.406 -3.195 -4.264 1.00 0.84 C ATOM 339 O LEU A 339 97.422 -3.255 -5.478 1.00 1.00 O ATOM 340 CB LEU A 339 95.389 -3.946 -2.935 1.00 0.80 C ATOM 341 CG LEU A 339 95.460 -2.948 -1.780 1.00 1.01 C ATOM 342 CD1 LEU A 339 94.753 -1.656 -2.188 1.00 1.34 C ATOM 343 CD2 LEU A 339 94.752 -3.551 -0.564 1.00 1.58 C ATOM 0 H LEU A 339 97.200 -4.285 -1.319 1.00 0.86 H new ATOM 0 HA LEU A 339 96.753 -5.204 -4.064 1.00 0.90 H new ATOM 0 HB2 LEU A 339 94.816 -3.516 -3.757 1.00 0.80 H new ATOM 0 HB3 LEU A 339 94.860 -4.843 -2.613 1.00 0.80 H new ATOM 0 HG LEU A 339 96.500 -2.732 -1.535 1.00 1.01 H new ATOM 0 HD11 LEU A 339 94.801 -0.940 -1.367 1.00 1.34 H new ATOM 0 HD12 LEU A 339 95.243 -1.235 -3.066 1.00 1.34 H new ATOM 0 HD13 LEU A 339 93.710 -1.870 -2.422 1.00 1.34 H new ATOM 0 HD21 LEU A 339 94.796 -2.848 0.268 1.00 1.58 H new ATOM 0 HD22 LEU A 339 93.711 -3.754 -0.813 1.00 1.58 H new ATOM 0 HD23 LEU A 339 95.245 -4.481 -0.280 1.00 1.58 H new ATOM 355 N ALA A 340 97.944 -2.189 -3.632 1.00 0.74 N ATOM 356 CA ALA A 340 98.594 -1.086 -4.398 1.00 0.93 C ATOM 357 C ALA A 340 99.869 -1.590 -5.077 1.00 1.36 C ATOM 358 O ALA A 340 100.415 -0.945 -5.951 1.00 2.24 O ATOM 359 CB ALA A 340 98.931 -0.027 -3.349 1.00 0.82 C ATOM 0 H ALA A 340 97.962 -2.082 -2.618 1.00 0.74 H new ATOM 0 HA ALA A 340 97.950 -0.695 -5.186 1.00 0.93 H new ATOM 0 HB1 ALA A 340 99.414 0.822 -3.832 1.00 0.82 H new ATOM 0 HB2 ALA A 340 98.015 0.306 -2.861 1.00 0.82 H new ATOM 0 HB3 ALA A 340 99.604 -0.453 -2.605 1.00 0.82 H new ATOM 365 N SER A 341 100.328 -2.753 -4.707 1.00 1.07 N ATOM 366 CA SER A 341 101.546 -3.314 -5.363 1.00 1.44 C ATOM 367 C SER A 341 101.148 -4.282 -6.480 1.00 1.51 C ATOM 368 O SER A 341 101.934 -4.597 -7.351 1.00 2.65 O ATOM 369 CB SER A 341 102.305 -4.041 -4.251 1.00 2.84 C ATOM 370 OG SER A 341 101.480 -5.060 -3.708 1.00 3.56 O ATOM 0 H SER A 341 99.915 -3.339 -3.981 1.00 1.07 H new ATOM 0 HA SER A 341 102.159 -2.540 -5.825 1.00 1.44 H new ATOM 0 HB2 SER A 341 103.225 -4.473 -4.645 1.00 2.84 H new ATOM 0 HB3 SER A 341 102.593 -3.336 -3.471 1.00 2.84 H new ATOM 0 HG SER A 341 100.592 -5.016 -4.119 1.00 3.56 H new ATOM 376 N LEU A 342 99.921 -4.726 -6.487 1.00 1.19 N ATOM 377 CA LEU A 342 99.468 -5.634 -7.579 1.00 2.40 C ATOM 378 C LEU A 342 99.626 -4.946 -8.937 1.00 2.59 C ATOM 379 O LEU A 342 99.743 -5.589 -9.961 1.00 3.62 O ATOM 380 CB LEU A 342 97.988 -5.896 -7.297 1.00 3.39 C ATOM 381 CG LEU A 342 97.832 -6.586 -5.943 1.00 3.93 C ATOM 382 CD1 LEU A 342 96.390 -7.070 -5.787 1.00 4.36 C ATOM 383 CD2 LEU A 342 98.783 -7.783 -5.870 1.00 3.74 C ATOM 0 H LEU A 342 99.215 -4.500 -5.787 1.00 1.19 H new ATOM 0 HA LEU A 342 100.050 -6.555 -7.610 1.00 2.40 H new ATOM 0 HB2 LEU A 342 97.436 -4.956 -7.302 1.00 3.39 H new ATOM 0 HB3 LEU A 342 97.563 -6.519 -8.084 1.00 3.39 H new ATOM 0 HG LEU A 342 98.070 -5.884 -5.144 1.00 3.93 H new ATOM 0 HD11 LEU A 342 96.274 -7.563 -4.822 1.00 4.36 H new ATOM 0 HD12 LEU A 342 95.712 -6.218 -5.843 1.00 4.36 H new ATOM 0 HD13 LEU A 342 96.154 -7.774 -6.585 1.00 4.36 H new ATOM 0 HD21 LEU A 342 98.673 -8.277 -4.904 1.00 3.74 H new ATOM 0 HD22 LEU A 342 98.544 -8.487 -6.667 1.00 3.74 H new ATOM 0 HD23 LEU A 342 99.811 -7.439 -5.987 1.00 3.74 H new ATOM 395 N ALA A 343 99.572 -3.642 -8.956 1.00 2.04 N ATOM 396 CA ALA A 343 99.654 -2.908 -10.252 1.00 2.90 C ATOM 397 C ALA A 343 101.113 -2.634 -10.633 1.00 2.34 C ATOM 398 O ALA A 343 101.425 -2.400 -11.784 1.00 2.96 O ATOM 399 CB ALA A 343 98.901 -1.600 -10.013 1.00 3.81 C ATOM 0 H ALA A 343 99.475 -3.052 -8.129 1.00 2.04 H new ATOM 0 HA ALA A 343 99.226 -3.482 -11.074 1.00 2.90 H new ATOM 0 HB1 ALA A 343 98.916 -1.000 -10.923 1.00 3.81 H new ATOM 0 HB2 ALA A 343 97.869 -1.819 -9.739 1.00 3.81 H new ATOM 0 HB3 ALA A 343 99.381 -1.046 -9.206 1.00 3.81 H new ATOM 405 N ASP A 344 102.013 -2.672 -9.688 1.00 1.46 N ATOM 406 CA ASP A 344 103.445 -2.425 -10.027 1.00 1.77 C ATOM 407 C ASP A 344 104.074 -3.693 -10.612 1.00 1.92 C ATOM 408 O ASP A 344 103.834 -4.789 -10.144 1.00 1.99 O ATOM 409 CB ASP A 344 104.114 -2.035 -8.704 1.00 1.69 C ATOM 410 CG ASP A 344 104.359 -3.282 -7.850 1.00 2.00 C ATOM 411 OD1 ASP A 344 105.095 -4.147 -8.295 1.00 2.84 O ATOM 412 OD2 ASP A 344 103.811 -3.347 -6.762 1.00 1.89 O ATOM 0 H ASP A 344 101.822 -2.862 -8.704 1.00 1.46 H new ATOM 0 HA ASP A 344 103.564 -1.643 -10.777 1.00 1.77 H new ATOM 0 HB2 ASP A 344 105.059 -1.528 -8.901 1.00 1.69 H new ATOM 0 HB3 ASP A 344 103.482 -1.332 -8.162 1.00 1.69 H new ATOM 417 N GLU A 345 104.864 -3.556 -11.641 1.00 2.10 N ATOM 418 CA GLU A 345 105.494 -4.757 -12.262 1.00 2.37 C ATOM 419 C GLU A 345 106.906 -4.962 -11.710 1.00 2.30 C ATOM 420 O GLU A 345 107.639 -5.823 -12.155 1.00 2.51 O ATOM 421 CB GLU A 345 105.538 -4.456 -13.761 1.00 2.66 C ATOM 422 CG GLU A 345 104.115 -4.252 -14.284 1.00 2.29 C ATOM 423 CD GLU A 345 104.154 -4.029 -15.797 1.00 2.60 C ATOM 424 OE1 GLU A 345 105.242 -3.873 -16.325 1.00 2.99 O ATOM 425 OE2 GLU A 345 103.094 -4.018 -16.401 1.00 2.87 O ATOM 0 H GLU A 345 105.101 -2.666 -12.079 1.00 2.10 H new ATOM 0 HA GLU A 345 104.937 -5.670 -12.049 1.00 2.37 H new ATOM 0 HB2 GLU A 345 106.136 -3.564 -13.946 1.00 2.66 H new ATOM 0 HB3 GLU A 345 106.018 -5.277 -14.293 1.00 2.66 H new ATOM 0 HG2 GLU A 345 103.502 -5.122 -14.050 1.00 2.29 H new ATOM 0 HG3 GLU A 345 103.654 -3.396 -13.791 1.00 2.29 H new ATOM 432 N THR A 346 107.284 -4.190 -10.732 1.00 2.06 N ATOM 433 CA THR A 346 108.641 -4.352 -10.135 1.00 2.06 C ATOM 434 C THR A 346 108.661 -5.559 -9.194 1.00 1.91 C ATOM 435 O THR A 346 107.686 -5.841 -8.525 1.00 1.73 O ATOM 436 CB THR A 346 108.890 -3.060 -9.356 1.00 2.02 C ATOM 437 OG1 THR A 346 107.825 -2.849 -8.440 1.00 1.96 O ATOM 438 CG2 THR A 346 108.972 -1.883 -10.329 1.00 2.07 C ATOM 0 H THR A 346 106.713 -3.453 -10.319 1.00 2.06 H new ATOM 0 HA THR A 346 109.407 -4.524 -10.891 1.00 2.06 H new ATOM 0 HB THR A 346 109.829 -3.140 -8.808 1.00 2.02 H new ATOM 0 HG1 THR A 346 108.126 -2.257 -7.719 1.00 1.96 H new ATOM 0 HG21 THR A 346 109.149 -0.963 -9.773 1.00 2.07 H new ATOM 0 HG22 THR A 346 109.790 -2.047 -11.030 1.00 2.07 H new ATOM 0 HG23 THR A 346 108.035 -1.799 -10.879 1.00 2.07 H new ATOM 446 N PRO A 347 109.781 -6.228 -9.168 1.00 2.03 N ATOM 447 CA PRO A 347 109.936 -7.414 -8.292 1.00 1.99 C ATOM 448 C PRO A 347 109.730 -7.020 -6.826 1.00 1.79 C ATOM 449 O PRO A 347 109.205 -7.780 -6.038 1.00 1.68 O ATOM 450 CB PRO A 347 111.375 -7.877 -8.534 1.00 2.25 C ATOM 451 CG PRO A 347 112.056 -6.745 -9.242 1.00 2.38 C ATOM 452 CD PRO A 347 110.990 -5.946 -9.940 1.00 2.29 C ATOM 0 HA PRO A 347 109.209 -8.197 -8.508 1.00 1.99 H new ATOM 0 HB2 PRO A 347 111.875 -8.107 -7.593 1.00 2.25 H new ATOM 0 HB3 PRO A 347 111.397 -8.785 -9.137 1.00 2.25 H new ATOM 0 HG2 PRO A 347 112.601 -6.121 -8.533 1.00 2.38 H new ATOM 0 HG3 PRO A 347 112.784 -7.123 -9.960 1.00 2.38 H new ATOM 0 HD2 PRO A 347 111.224 -4.882 -9.941 1.00 2.29 H new ATOM 0 HD3 PRO A 347 110.880 -6.250 -10.981 1.00 2.29 H new ATOM 460 N GLU A 348 110.127 -5.832 -6.460 1.00 1.76 N ATOM 461 CA GLU A 348 109.937 -5.385 -5.050 1.00 1.64 C ATOM 462 C GLU A 348 108.444 -5.295 -4.722 1.00 1.41 C ATOM 463 O GLU A 348 108.012 -5.654 -3.647 1.00 1.31 O ATOM 464 CB GLU A 348 110.588 -4.004 -4.983 1.00 1.72 C ATOM 465 CG GLU A 348 112.092 -4.137 -5.231 1.00 2.14 C ATOM 466 CD GLU A 348 112.755 -2.764 -5.106 1.00 2.49 C ATOM 467 OE1 GLU A 348 112.033 -1.785 -5.026 1.00 3.25 O ATOM 468 OE2 GLU A 348 113.974 -2.716 -5.094 1.00 2.49 O ATOM 0 H GLU A 348 110.574 -5.152 -7.075 1.00 1.76 H new ATOM 0 HA GLU A 348 110.377 -6.077 -4.332 1.00 1.64 H new ATOM 0 HB2 GLU A 348 110.143 -3.344 -5.727 1.00 1.72 H new ATOM 0 HB3 GLU A 348 110.408 -3.552 -4.008 1.00 1.72 H new ATOM 0 HG2 GLU A 348 112.530 -4.830 -4.513 1.00 2.14 H new ATOM 0 HG3 GLU A 348 112.272 -4.550 -6.223 1.00 2.14 H new ATOM 475 N GLY A 349 107.647 -4.862 -5.658 1.00 1.42 N ATOM 476 CA GLY A 349 106.178 -4.803 -5.414 1.00 1.30 C ATOM 477 C GLY A 349 105.660 -6.202 -5.080 1.00 1.23 C ATOM 478 O GLY A 349 104.766 -6.367 -4.274 1.00 1.23 O ATOM 0 H GLY A 349 107.948 -4.547 -6.580 1.00 1.42 H new ATOM 0 HA2 GLY A 349 105.962 -4.118 -4.594 1.00 1.30 H new ATOM 0 HA3 GLY A 349 105.667 -4.415 -6.296 1.00 1.30 H new ATOM 482 N ARG A 350 106.318 -7.217 -5.568 1.00 1.19 N ATOM 483 CA ARG A 350 105.967 -8.601 -5.139 1.00 1.15 C ATOM 484 C ARG A 350 106.505 -8.850 -3.736 1.00 1.06 C ATOM 485 O ARG A 350 105.873 -9.487 -2.919 1.00 0.94 O ATOM 486 CB ARG A 350 106.652 -9.519 -6.147 1.00 1.18 C ATOM 487 CG ARG A 350 106.376 -9.008 -7.557 1.00 1.81 C ATOM 488 CD ARG A 350 106.940 -9.995 -8.581 1.00 2.33 C ATOM 489 NE ARG A 350 106.791 -9.312 -9.896 1.00 2.77 N ATOM 490 CZ ARG A 350 106.861 -9.998 -11.006 1.00 3.16 C ATOM 491 NH1 ARG A 350 107.062 -11.288 -10.971 1.00 3.46 N ATOM 492 NH2 ARG A 350 106.730 -9.392 -12.154 1.00 3.62 N ATOM 0 H ARG A 350 107.080 -7.149 -6.242 1.00 1.19 H new ATOM 0 HA ARG A 350 104.891 -8.770 -5.111 1.00 1.15 H new ATOM 0 HB2 ARG A 350 107.726 -9.547 -5.961 1.00 1.18 H new ATOM 0 HB3 ARG A 350 106.283 -10.539 -6.038 1.00 1.18 H new ATOM 0 HG2 ARG A 350 105.303 -8.886 -7.707 1.00 1.81 H new ATOM 0 HG3 ARG A 350 106.830 -8.027 -7.694 1.00 1.81 H new ATOM 0 HD2 ARG A 350 107.985 -10.227 -8.372 1.00 2.33 H new ATOM 0 HD3 ARG A 350 106.394 -10.938 -8.562 1.00 2.33 H new ATOM 0 HE ARG A 350 106.634 -8.305 -9.930 1.00 2.77 H new ATOM 0 HH11 ARG A 350 107.165 -11.764 -10.075 1.00 3.46 H new ATOM 0 HH12 ARG A 350 107.116 -11.820 -11.840 1.00 3.46 H new ATOM 0 HH21 ARG A 350 106.573 -8.385 -12.184 1.00 3.62 H new ATOM 0 HH22 ARG A 350 106.784 -9.926 -13.022 1.00 3.62 H new ATOM 506 N SER A 351 107.652 -8.319 -3.435 1.00 1.15 N ATOM 507 CA SER A 351 108.205 -8.497 -2.064 1.00 1.10 C ATOM 508 C SER A 351 107.183 -8.018 -1.028 1.00 0.97 C ATOM 509 O SER A 351 106.913 -8.685 -0.051 1.00 0.87 O ATOM 510 CB SER A 351 109.458 -7.624 -2.030 1.00 1.25 C ATOM 511 OG SER A 351 109.096 -6.294 -1.684 1.00 2.40 O ATOM 0 H SER A 351 108.230 -7.772 -4.073 1.00 1.15 H new ATOM 0 HA SER A 351 108.431 -9.538 -1.833 1.00 1.10 H new ATOM 0 HB2 SER A 351 110.171 -8.019 -1.306 1.00 1.25 H new ATOM 0 HB3 SER A 351 109.951 -7.638 -3.002 1.00 1.25 H new ATOM 0 HG SER A 351 108.916 -5.781 -2.500 1.00 2.40 H new ATOM 517 N ILE A 352 106.579 -6.886 -1.259 1.00 1.00 N ATOM 518 CA ILE A 352 105.537 -6.383 -0.318 1.00 0.93 C ATOM 519 C ILE A 352 104.290 -7.284 -0.338 1.00 0.80 C ATOM 520 O ILE A 352 103.789 -7.679 0.699 1.00 0.70 O ATOM 521 CB ILE A 352 105.238 -4.970 -0.823 1.00 1.08 C ATOM 522 CG1 ILE A 352 106.300 -4.021 -0.267 1.00 1.16 C ATOM 523 CG2 ILE A 352 103.851 -4.514 -0.368 1.00 1.16 C ATOM 524 CD1 ILE A 352 106.218 -2.677 -0.984 1.00 1.39 C ATOM 0 H ILE A 352 106.762 -6.284 -2.062 1.00 1.00 H new ATOM 0 HA ILE A 352 105.865 -6.384 0.722 1.00 0.93 H new ATOM 0 HB ILE A 352 105.257 -4.965 -1.913 1.00 1.08 H new ATOM 0 HG12 ILE A 352 106.152 -3.882 0.804 1.00 1.16 H new ATOM 0 HG13 ILE A 352 107.292 -4.454 -0.398 1.00 1.16 H new ATOM 0 HG21 ILE A 352 103.659 -3.507 -0.738 1.00 1.16 H new ATOM 0 HG22 ILE A 352 103.097 -5.195 -0.762 1.00 1.16 H new ATOM 0 HG23 ILE A 352 103.807 -4.515 0.721 1.00 1.16 H new ATOM 0 HD11 ILE A 352 106.977 -2.004 -0.584 1.00 1.39 H new ATOM 0 HD12 ILE A 352 106.388 -2.823 -2.051 1.00 1.39 H new ATOM 0 HD13 ILE A 352 105.230 -2.242 -0.830 1.00 1.39 H new ATOM 536 N VAL A 353 103.794 -7.639 -1.497 1.00 0.86 N ATOM 537 CA VAL A 353 102.599 -8.542 -1.547 1.00 0.82 C ATOM 538 C VAL A 353 102.881 -9.833 -0.768 1.00 0.77 C ATOM 539 O VAL A 353 102.031 -10.346 -0.065 1.00 0.77 O ATOM 540 CB VAL A 353 102.385 -8.852 -3.030 1.00 0.97 C ATOM 541 CG1 VAL A 353 101.296 -9.918 -3.176 1.00 1.18 C ATOM 542 CG2 VAL A 353 101.944 -7.582 -3.761 1.00 1.10 C ATOM 0 H VAL A 353 104.159 -7.347 -2.404 1.00 0.86 H new ATOM 0 HA VAL A 353 101.719 -8.080 -1.099 1.00 0.82 H new ATOM 0 HB VAL A 353 103.318 -9.217 -3.460 1.00 0.97 H new ATOM 0 HG11 VAL A 353 101.143 -10.139 -4.232 1.00 1.18 H new ATOM 0 HG12 VAL A 353 101.603 -10.825 -2.656 1.00 1.18 H new ATOM 0 HG13 VAL A 353 100.366 -9.549 -2.744 1.00 1.18 H new ATOM 0 HG21 VAL A 353 101.792 -7.804 -4.817 1.00 1.10 H new ATOM 0 HG22 VAL A 353 101.012 -7.219 -3.329 1.00 1.10 H new ATOM 0 HG23 VAL A 353 102.714 -6.817 -3.658 1.00 1.10 H new ATOM 552 N ILE A 354 104.115 -10.245 -0.731 1.00 0.79 N ATOM 553 CA ILE A 354 104.503 -11.367 0.173 1.00 0.84 C ATOM 554 C ILE A 354 104.418 -10.930 1.635 1.00 0.72 C ATOM 555 O ILE A 354 103.968 -11.670 2.484 1.00 0.77 O ATOM 556 CB ILE A 354 105.944 -11.682 -0.200 1.00 0.97 C ATOM 557 CG1 ILE A 354 106.010 -12.087 -1.675 1.00 1.21 C ATOM 558 CG2 ILE A 354 106.461 -12.825 0.675 1.00 1.11 C ATOM 559 CD1 ILE A 354 107.449 -11.970 -2.177 1.00 1.36 C ATOM 0 H ILE A 354 104.875 -9.854 -1.288 1.00 0.79 H new ATOM 0 HA ILE A 354 103.847 -12.230 0.063 1.00 0.84 H new ATOM 0 HB ILE A 354 106.564 -10.800 -0.040 1.00 0.97 H new ATOM 0 HG12 ILE A 354 105.654 -13.110 -1.798 1.00 1.21 H new ATOM 0 HG13 ILE A 354 105.355 -11.448 -2.267 1.00 1.21 H new ATOM 0 HG21 ILE A 354 107.493 -13.050 0.407 1.00 1.11 H new ATOM 0 HG22 ILE A 354 106.414 -12.530 1.723 1.00 1.11 H new ATOM 0 HG23 ILE A 354 105.844 -13.710 0.519 1.00 1.11 H new ATOM 0 HD11 ILE A 354 107.493 -12.259 -3.227 1.00 1.36 H new ATOM 0 HD12 ILE A 354 107.789 -10.940 -2.070 1.00 1.36 H new ATOM 0 HD13 ILE A 354 108.093 -12.627 -1.593 1.00 1.36 H new ATOM 571 N LEU A 355 104.952 -9.790 1.952 1.00 0.63 N ATOM 572 CA LEU A 355 105.014 -9.379 3.384 1.00 0.62 C ATOM 573 C LEU A 355 103.655 -9.598 4.055 1.00 0.55 C ATOM 574 O LEU A 355 103.549 -10.273 5.058 1.00 0.61 O ATOM 575 CB LEU A 355 105.335 -7.887 3.351 1.00 0.64 C ATOM 576 CG LEU A 355 105.701 -7.404 4.758 1.00 0.73 C ATOM 577 CD1 LEU A 355 106.231 -5.971 4.689 1.00 1.14 C ATOM 578 CD2 LEU A 355 104.462 -7.440 5.655 1.00 1.15 C ATOM 0 H LEU A 355 105.348 -9.124 1.288 1.00 0.63 H new ATOM 0 HA LEU A 355 105.753 -9.953 3.943 1.00 0.62 H new ATOM 0 HB2 LEU A 355 106.161 -7.698 2.665 1.00 0.64 H new ATOM 0 HB3 LEU A 355 104.477 -7.329 2.977 1.00 0.64 H new ATOM 0 HG LEU A 355 106.469 -8.058 5.171 1.00 0.73 H new ATOM 0 HD11 LEU A 355 106.490 -5.630 5.691 1.00 1.14 H new ATOM 0 HD12 LEU A 355 107.117 -5.941 4.055 1.00 1.14 H new ATOM 0 HD13 LEU A 355 105.464 -5.319 4.271 1.00 1.14 H new ATOM 0 HD21 LEU A 355 104.727 -7.096 6.655 1.00 1.15 H new ATOM 0 HD22 LEU A 355 103.693 -6.790 5.239 1.00 1.15 H new ATOM 0 HD23 LEU A 355 104.083 -8.460 5.711 1.00 1.15 H new ATOM 590 N ALA A 356 102.608 -9.072 3.487 1.00 0.52 N ATOM 591 CA ALA A 356 101.259 -9.301 4.080 1.00 0.54 C ATOM 592 C ALA A 356 100.892 -10.783 3.973 1.00 0.53 C ATOM 593 O ALA A 356 100.245 -11.346 4.839 1.00 0.57 O ATOM 594 CB ALA A 356 100.303 -8.444 3.250 1.00 0.61 C ATOM 0 H ALA A 356 102.625 -8.497 2.644 1.00 0.52 H new ATOM 0 HA ALA A 356 101.218 -9.035 5.136 1.00 0.54 H new ATOM 0 HB1 ALA A 356 99.288 -8.561 3.629 1.00 0.61 H new ATOM 0 HB2 ALA A 356 100.598 -7.397 3.321 1.00 0.61 H new ATOM 0 HB3 ALA A 356 100.341 -8.762 2.208 1.00 0.61 H new ATOM 600 N LYS A 357 101.270 -11.420 2.901 1.00 0.57 N ATOM 601 CA LYS A 357 100.899 -12.852 2.739 1.00 0.68 C ATOM 602 C LYS A 357 101.329 -13.663 3.964 1.00 0.79 C ATOM 603 O LYS A 357 100.535 -14.337 4.577 1.00 0.93 O ATOM 604 CB LYS A 357 101.653 -13.332 1.505 1.00 0.88 C ATOM 605 CG LYS A 357 101.371 -14.820 1.314 1.00 0.97 C ATOM 606 CD LYS A 357 100.026 -15.000 0.608 1.00 1.16 C ATOM 607 CE LYS A 357 99.772 -16.489 0.364 1.00 0.90 C ATOM 608 NZ LYS A 357 100.520 -16.807 -0.884 1.00 1.15 N ATOM 0 H LYS A 357 101.814 -11.017 2.138 1.00 0.57 H new ATOM 0 HA LYS A 357 99.821 -12.976 2.635 1.00 0.68 H new ATOM 0 HB2 LYS A 357 101.337 -12.771 0.626 1.00 0.88 H new ATOM 0 HB3 LYS A 357 102.723 -13.161 1.625 1.00 0.88 H new ATOM 0 HG2 LYS A 357 102.166 -15.279 0.726 1.00 0.97 H new ATOM 0 HG3 LYS A 357 101.357 -15.325 2.280 1.00 0.97 H new ATOM 0 HD2 LYS A 357 99.225 -14.579 1.216 1.00 1.16 H new ATOM 0 HD3 LYS A 357 100.025 -14.460 -0.339 1.00 1.16 H new ATOM 0 HE2 LYS A 357 100.125 -17.092 1.201 1.00 0.90 H new ATOM 0 HE3 LYS A 357 98.708 -16.695 0.250 1.00 0.90 H new ATOM 0 HZ1 LYS A 357 99.853 -17.122 -1.618 1.00 1.15 H new ATOM 0 HZ2 LYS A 357 101.022 -15.958 -1.214 1.00 1.15 H new ATOM 0 HZ3 LYS A 357 101.208 -17.563 -0.693 1.00 1.15 H new ATOM 622 N GLN A 358 102.581 -13.625 4.317 1.00 0.80 N ATOM 623 CA GLN A 358 103.031 -14.421 5.493 1.00 1.01 C ATOM 624 C GLN A 358 102.405 -13.860 6.773 1.00 1.05 C ATOM 625 O GLN A 358 102.029 -14.593 7.666 1.00 1.25 O ATOM 626 CB GLN A 358 104.554 -14.275 5.521 1.00 1.03 C ATOM 627 CG GLN A 358 104.926 -12.816 5.778 1.00 0.99 C ATOM 628 CD GLN A 358 106.431 -12.630 5.577 1.00 1.21 C ATOM 629 OE1 GLN A 358 107.006 -13.180 4.659 1.00 1.62 O ATOM 630 NE2 GLN A 358 107.098 -11.871 6.404 1.00 1.90 N ATOM 0 H GLN A 358 103.307 -13.083 3.849 1.00 0.80 H new ATOM 0 HA GLN A 358 102.732 -15.467 5.425 1.00 1.01 H new ATOM 0 HB2 GLN A 358 104.976 -14.911 6.300 1.00 1.03 H new ATOM 0 HB3 GLN A 358 104.978 -14.607 4.574 1.00 1.03 H new ATOM 0 HG2 GLN A 358 104.375 -12.164 5.100 1.00 0.99 H new ATOM 0 HG3 GLN A 358 104.646 -12.531 6.792 1.00 0.99 H new ATOM 0 HE21 GLN A 358 106.615 -11.409 7.175 1.00 1.90 H new ATOM 0 HE22 GLN A 358 108.102 -11.740 6.279 1.00 1.90 H new ATOM 639 N ARG A 359 102.342 -12.561 6.890 1.00 0.93 N ATOM 640 CA ARG A 359 101.801 -11.945 8.135 1.00 1.10 C ATOM 641 C ARG A 359 100.293 -12.192 8.273 1.00 1.09 C ATOM 642 O ARG A 359 99.793 -12.396 9.362 1.00 1.55 O ATOM 643 CB ARG A 359 102.081 -10.448 7.985 1.00 1.08 C ATOM 644 CG ARG A 359 103.591 -10.212 7.935 1.00 1.26 C ATOM 645 CD ARG A 359 104.212 -10.578 9.285 1.00 1.27 C ATOM 646 NE ARG A 359 103.613 -9.619 10.255 1.00 1.47 N ATOM 647 CZ ARG A 359 103.979 -8.365 10.251 1.00 1.98 C ATOM 648 NH1 ARG A 359 104.873 -7.942 9.397 1.00 2.63 N ATOM 649 NH2 ARG A 359 103.449 -7.530 11.103 1.00 2.38 N ATOM 0 H ARG A 359 102.643 -11.899 6.175 1.00 0.93 H new ATOM 0 HA ARG A 359 102.262 -12.372 9.026 1.00 1.10 H new ATOM 0 HB2 ARG A 359 101.613 -10.069 7.076 1.00 1.08 H new ATOM 0 HB3 ARG A 359 101.644 -9.900 8.820 1.00 1.08 H new ATOM 0 HG2 ARG A 359 104.037 -10.813 7.143 1.00 1.26 H new ATOM 0 HG3 ARG A 359 103.799 -9.168 7.699 1.00 1.26 H new ATOM 0 HD2 ARG A 359 103.986 -11.609 9.558 1.00 1.27 H new ATOM 0 HD3 ARG A 359 105.298 -10.486 9.258 1.00 1.27 H new ATOM 0 HE ARG A 359 102.915 -9.943 10.924 1.00 1.47 H new ATOM 0 HH11 ARG A 359 105.288 -8.592 8.730 1.00 2.63 H new ATOM 0 HH12 ARG A 359 105.155 -6.962 9.398 1.00 2.63 H new ATOM 0 HH21 ARG A 359 102.750 -7.857 11.770 1.00 2.38 H new ATOM 0 HH22 ARG A 359 103.734 -6.550 11.101 1.00 2.38 H new ATOM 663 N PHE A 360 99.549 -12.103 7.200 1.00 0.70 N ATOM 664 CA PHE A 360 98.068 -12.256 7.322 1.00 0.74 C ATOM 665 C PHE A 360 97.600 -13.493 6.562 1.00 0.74 C ATOM 666 O PHE A 360 96.483 -13.947 6.715 1.00 1.09 O ATOM 667 CB PHE A 360 97.483 -10.987 6.707 1.00 0.85 C ATOM 668 CG PHE A 360 98.001 -9.786 7.459 1.00 1.28 C ATOM 669 CD1 PHE A 360 97.430 -9.428 8.688 1.00 2.03 C ATOM 670 CD2 PHE A 360 99.058 -9.031 6.930 1.00 1.78 C ATOM 671 CE1 PHE A 360 97.914 -8.314 9.388 1.00 3.03 C ATOM 672 CE2 PHE A 360 99.542 -7.918 7.631 1.00 2.74 C ATOM 673 CZ PHE A 360 98.971 -7.559 8.860 1.00 3.32 C ATOM 0 H PHE A 360 99.897 -11.933 6.256 1.00 0.70 H new ATOM 0 HA PHE A 360 97.751 -12.385 8.357 1.00 0.74 H new ATOM 0 HB2 PHE A 360 97.758 -10.918 5.655 1.00 0.85 H new ATOM 0 HB3 PHE A 360 96.394 -11.016 6.750 1.00 0.85 H new ATOM 0 HD1 PHE A 360 96.617 -10.010 9.096 1.00 2.03 H new ATOM 0 HD2 PHE A 360 99.499 -9.307 5.983 1.00 1.78 H new ATOM 0 HE1 PHE A 360 97.473 -8.037 10.334 1.00 3.03 H new ATOM 0 HE2 PHE A 360 100.356 -7.336 7.224 1.00 2.74 H new ATOM 0 HZ PHE A 360 99.345 -6.702 9.400 1.00 3.32 H new ATOM 683 N ASN A 361 98.439 -14.021 5.723 1.00 0.72 N ATOM 684 CA ASN A 361 98.041 -15.211 4.922 1.00 0.77 C ATOM 685 C ASN A 361 96.837 -14.879 4.048 1.00 0.91 C ATOM 686 O ASN A 361 95.840 -15.573 4.043 1.00 1.34 O ATOM 687 CB ASN A 361 97.687 -16.271 5.961 1.00 0.79 C ATOM 688 CG ASN A 361 97.715 -17.656 5.311 1.00 1.27 C ATOM 689 OD1 ASN A 361 98.745 -18.099 4.843 1.00 1.68 O ATOM 690 ND2 ASN A 361 96.620 -18.364 5.263 1.00 1.90 N ATOM 0 H ASN A 361 99.386 -13.681 5.555 1.00 0.72 H new ATOM 0 HA ASN A 361 98.829 -15.548 4.248 1.00 0.77 H new ATOM 0 HB2 ASN A 361 98.394 -16.233 6.790 1.00 0.79 H new ATOM 0 HB3 ASN A 361 96.699 -16.073 6.376 1.00 0.79 H new ATOM 0 HD21 ASN A 361 96.629 -19.289 4.833 1.00 1.90 H new ATOM 0 HD22 ASN A 361 95.755 -17.993 5.656 1.00 1.90 H new ATOM 697 N LEU A 362 96.923 -13.799 3.330 1.00 0.88 N ATOM 698 CA LEU A 362 95.786 -13.375 2.469 1.00 1.13 C ATOM 699 C LEU A 362 96.184 -13.480 0.992 1.00 1.12 C ATOM 700 O LEU A 362 97.302 -13.830 0.670 1.00 1.73 O ATOM 701 CB LEU A 362 95.533 -11.921 2.860 1.00 1.68 C ATOM 702 CG LEU A 362 95.510 -11.811 4.384 1.00 2.21 C ATOM 703 CD1 LEU A 362 95.391 -10.340 4.786 1.00 2.65 C ATOM 704 CD2 LEU A 362 94.309 -12.586 4.930 1.00 2.80 C ATOM 0 H LEU A 362 97.738 -13.186 3.301 1.00 0.88 H new ATOM 0 HA LEU A 362 94.899 -13.994 2.602 1.00 1.13 H new ATOM 0 HB2 LEU A 362 96.312 -11.280 2.448 1.00 1.68 H new ATOM 0 HB3 LEU A 362 94.586 -11.579 2.444 1.00 1.68 H new ATOM 0 HG LEU A 362 96.430 -12.227 4.794 1.00 2.21 H new ATOM 0 HD11 LEU A 362 95.374 -10.260 5.873 1.00 2.65 H new ATOM 0 HD12 LEU A 362 96.244 -9.786 4.394 1.00 2.65 H new ATOM 0 HD13 LEU A 362 94.470 -9.925 4.378 1.00 2.65 H new ATOM 0 HD21 LEU A 362 94.290 -12.509 6.017 1.00 2.80 H new ATOM 0 HD22 LEU A 362 93.389 -12.168 4.521 1.00 2.80 H new ATOM 0 HD23 LEU A 362 94.391 -13.634 4.642 1.00 2.80 H new ATOM 716 N ARG A 363 95.288 -13.178 0.090 1.00 1.10 N ATOM 717 CA ARG A 363 95.640 -13.262 -1.356 1.00 1.09 C ATOM 718 C ARG A 363 95.525 -11.896 -2.026 1.00 0.86 C ATOM 719 O ARG A 363 94.779 -11.038 -1.598 1.00 1.03 O ATOM 720 CB ARG A 363 94.636 -14.240 -1.961 1.00 1.21 C ATOM 721 CG ARG A 363 95.043 -15.664 -1.596 1.00 2.11 C ATOM 722 CD ARG A 363 94.086 -16.657 -2.260 1.00 2.74 C ATOM 723 NE ARG A 363 94.448 -17.982 -1.684 1.00 3.36 N ATOM 724 CZ ARG A 363 93.771 -19.050 -2.016 1.00 3.92 C ATOM 725 NH1 ARG A 363 92.773 -18.963 -2.855 1.00 4.21 N ATOM 726 NH2 ARG A 363 94.094 -20.208 -1.507 1.00 4.40 N ATOM 0 H ARG A 363 94.334 -12.879 0.291 1.00 1.10 H new ATOM 0 HA ARG A 363 96.669 -13.592 -1.499 1.00 1.09 H new ATOM 0 HB2 ARG A 363 93.634 -14.028 -1.588 1.00 1.21 H new ATOM 0 HB3 ARG A 363 94.604 -14.124 -3.044 1.00 1.21 H new ATOM 0 HG2 ARG A 363 96.065 -15.856 -1.921 1.00 2.11 H new ATOM 0 HG3 ARG A 363 95.024 -15.793 -0.514 1.00 2.11 H new ATOM 0 HD2 ARG A 363 93.047 -16.405 -2.049 1.00 2.74 H new ATOM 0 HD3 ARG A 363 94.202 -16.653 -3.344 1.00 2.74 H new ATOM 0 HE ARG A 363 95.226 -18.056 -1.029 1.00 3.36 H new ATOM 0 HH11 ARG A 363 92.519 -18.059 -3.254 1.00 4.21 H new ATOM 0 HH12 ARG A 363 92.248 -19.799 -3.111 1.00 4.21 H new ATOM 0 HH21 ARG A 363 94.873 -20.278 -0.852 1.00 4.40 H new ATOM 0 HH22 ARG A 363 93.568 -21.043 -1.764 1.00 4.40 H new ATOM 740 N GLU A 364 96.215 -11.719 -3.115 1.00 0.74 N ATOM 741 CA GLU A 364 96.104 -10.441 -3.873 1.00 0.86 C ATOM 742 C GLU A 364 94.638 -10.168 -4.214 1.00 1.02 C ATOM 743 O GLU A 364 93.859 -11.081 -4.404 1.00 0.95 O ATOM 744 CB GLU A 364 96.921 -10.664 -5.146 1.00 0.96 C ATOM 745 CG GLU A 364 98.382 -10.927 -4.776 1.00 1.26 C ATOM 746 CD GLU A 364 99.213 -11.078 -6.051 1.00 1.69 C ATOM 747 OE1 GLU A 364 98.621 -11.145 -7.116 1.00 2.24 O ATOM 748 OE2 GLU A 364 100.427 -11.125 -5.941 1.00 2.21 O ATOM 0 H GLU A 364 96.854 -12.406 -3.516 1.00 0.74 H new ATOM 0 HA GLU A 364 96.467 -9.584 -3.305 1.00 0.86 H new ATOM 0 HB2 GLU A 364 96.519 -11.509 -5.705 1.00 0.96 H new ATOM 0 HB3 GLU A 364 96.851 -9.790 -5.794 1.00 0.96 H new ATOM 0 HG2 GLU A 364 98.769 -10.106 -4.173 1.00 1.26 H new ATOM 0 HG3 GLU A 364 98.458 -11.830 -4.171 1.00 1.26 H new ATOM 755 N ARG A 365 94.256 -8.924 -4.322 1.00 1.36 N ATOM 756 CA ARG A 365 92.842 -8.621 -4.683 1.00 1.73 C ATOM 757 C ARG A 365 92.727 -8.392 -6.190 1.00 1.59 C ATOM 758 O ARG A 365 93.535 -7.707 -6.786 1.00 1.56 O ATOM 759 CB ARG A 365 92.496 -7.345 -3.915 1.00 1.83 C ATOM 760 CG ARG A 365 92.522 -7.628 -2.412 1.00 2.15 C ATOM 761 CD ARG A 365 92.058 -6.384 -1.651 1.00 2.41 C ATOM 762 NE ARG A 365 92.277 -6.708 -0.214 1.00 3.18 N ATOM 763 CZ ARG A 365 91.642 -6.042 0.714 1.00 3.60 C ATOM 764 NH1 ARG A 365 90.814 -5.085 0.389 1.00 4.16 N ATOM 765 NH2 ARG A 365 91.835 -6.334 1.971 1.00 3.72 N ATOM 0 H ARG A 365 94.856 -8.112 -4.177 1.00 1.36 H new ATOM 0 HA ARG A 365 92.165 -9.438 -4.431 1.00 1.73 H new ATOM 0 HB2 ARG A 365 93.208 -6.557 -4.159 1.00 1.83 H new ATOM 0 HB3 ARG A 365 91.510 -6.986 -4.211 1.00 1.83 H new ATOM 0 HG2 ARG A 365 91.874 -8.473 -2.179 1.00 2.15 H new ATOM 0 HG3 ARG A 365 93.529 -7.903 -2.100 1.00 2.15 H new ATOM 0 HD2 ARG A 365 92.628 -5.504 -1.949 1.00 2.41 H new ATOM 0 HD3 ARG A 365 91.009 -6.167 -1.851 1.00 2.41 H new ATOM 0 HE ARG A 365 92.924 -7.452 0.047 1.00 3.18 H new ATOM 0 HH11 ARG A 365 90.661 -4.855 -0.593 1.00 4.16 H new ATOM 0 HH12 ARG A 365 90.321 -4.568 1.117 1.00 4.16 H new ATOM 0 HH21 ARG A 365 92.481 -7.081 2.228 1.00 3.72 H new ATOM 0 HH22 ARG A 365 91.340 -5.815 2.697 1.00 3.72 H new ATOM 779 N ASP A 366 91.735 -8.966 -6.815 1.00 1.70 N ATOM 780 CA ASP A 366 91.585 -8.780 -8.284 1.00 1.93 C ATOM 781 C ASP A 366 90.954 -7.429 -8.576 1.00 2.04 C ATOM 782 O ASP A 366 89.874 -7.111 -8.119 1.00 2.65 O ATOM 783 CB ASP A 366 90.669 -9.898 -8.751 1.00 2.62 C ATOM 784 CG ASP A 366 90.631 -9.923 -10.280 1.00 2.50 C ATOM 785 OD1 ASP A 366 91.373 -9.166 -10.884 1.00 2.86 O ATOM 786 OD2 ASP A 366 89.860 -10.698 -10.821 1.00 2.50 O ATOM 0 H ASP A 366 91.026 -9.552 -6.374 1.00 1.70 H new ATOM 0 HA ASP A 366 92.547 -8.809 -8.795 1.00 1.93 H new ATOM 0 HB2 ASP A 366 91.023 -10.856 -8.370 1.00 2.62 H new ATOM 0 HB3 ASP A 366 89.665 -9.749 -8.354 1.00 2.62 H new ATOM 791 N VAL A 367 91.645 -6.628 -9.312 1.00 1.75 N ATOM 792 CA VAL A 367 91.138 -5.268 -9.635 1.00 2.31 C ATOM 793 C VAL A 367 89.978 -5.352 -10.632 1.00 2.53 C ATOM 794 O VAL A 367 88.996 -4.648 -10.514 1.00 3.04 O ATOM 795 CB VAL A 367 92.337 -4.551 -10.253 1.00 2.28 C ATOM 796 CG1 VAL A 367 91.872 -3.276 -10.953 1.00 2.89 C ATOM 797 CG2 VAL A 367 93.338 -4.187 -9.153 1.00 2.52 C ATOM 0 H VAL A 367 92.555 -6.854 -9.714 1.00 1.75 H new ATOM 0 HA VAL A 367 90.753 -4.746 -8.759 1.00 2.31 H new ATOM 0 HB VAL A 367 92.813 -5.210 -10.979 1.00 2.28 H new ATOM 0 HG11 VAL A 367 92.731 -2.768 -11.392 1.00 2.89 H new ATOM 0 HG12 VAL A 367 91.160 -3.531 -11.738 1.00 2.89 H new ATOM 0 HG13 VAL A 367 91.392 -2.618 -10.229 1.00 2.89 H new ATOM 0 HG21 VAL A 367 94.193 -3.675 -9.594 1.00 2.52 H new ATOM 0 HG22 VAL A 367 92.858 -3.531 -8.427 1.00 2.52 H new ATOM 0 HG23 VAL A 367 93.676 -5.095 -8.654 1.00 2.52 H new ATOM 807 N GLN A 368 90.116 -6.154 -11.652 1.00 2.20 N ATOM 808 CA GLN A 368 89.054 -6.214 -12.701 1.00 2.40 C ATOM 809 C GLN A 368 87.832 -6.994 -12.205 1.00 2.11 C ATOM 810 O GLN A 368 86.722 -6.746 -12.632 1.00 2.30 O ATOM 811 CB GLN A 368 89.695 -6.926 -13.890 1.00 2.46 C ATOM 812 CG GLN A 368 88.748 -6.843 -15.088 1.00 3.09 C ATOM 813 CD GLN A 368 89.421 -7.456 -16.317 1.00 3.29 C ATOM 814 OE1 GLN A 368 90.590 -7.786 -16.283 1.00 3.32 O ATOM 815 NE2 GLN A 368 88.728 -7.623 -17.411 1.00 3.69 N ATOM 0 H GLN A 368 90.915 -6.769 -11.806 1.00 2.20 H new ATOM 0 HA GLN A 368 88.699 -5.218 -12.964 1.00 2.40 H new ATOM 0 HB2 GLN A 368 90.652 -6.465 -14.134 1.00 2.46 H new ATOM 0 HB3 GLN A 368 89.897 -7.968 -13.641 1.00 2.46 H new ATOM 0 HG2 GLN A 368 87.820 -7.371 -14.868 1.00 3.09 H new ATOM 0 HG3 GLN A 368 88.485 -5.804 -15.285 1.00 3.09 H new ATOM 0 HE21 GLN A 368 87.747 -7.346 -17.440 1.00 3.69 H new ATOM 0 HE22 GLN A 368 89.168 -8.030 -18.236 1.00 3.69 H new ATOM 824 N SER A 369 87.992 -7.790 -11.185 1.00 1.80 N ATOM 825 CA SER A 369 86.793 -8.399 -10.540 1.00 1.87 C ATOM 826 C SER A 369 86.049 -7.327 -9.745 1.00 1.79 C ATOM 827 O SER A 369 84.835 -7.309 -9.690 1.00 2.27 O ATOM 828 CB SER A 369 87.329 -9.494 -9.623 1.00 2.47 C ATOM 829 OG SER A 369 86.243 -10.118 -8.951 1.00 3.05 O ATOM 0 H SER A 369 88.890 -8.044 -10.773 1.00 1.80 H new ATOM 0 HA SER A 369 86.090 -8.811 -11.264 1.00 1.87 H new ATOM 0 HB2 SER A 369 87.884 -10.231 -10.204 1.00 2.47 H new ATOM 0 HB3 SER A 369 88.024 -9.070 -8.899 1.00 2.47 H new ATOM 0 HG SER A 369 86.584 -10.823 -8.362 1.00 3.05 H new ATOM 835 N LEU A 370 86.764 -6.352 -9.262 1.00 1.38 N ATOM 836 CA LEU A 370 86.100 -5.183 -8.625 1.00 1.39 C ATOM 837 C LEU A 370 85.829 -4.105 -9.677 1.00 1.12 C ATOM 838 O LEU A 370 85.493 -2.984 -9.353 1.00 1.30 O ATOM 839 CB LEU A 370 87.112 -4.679 -7.597 1.00 1.54 C ATOM 840 CG LEU A 370 87.533 -5.835 -6.689 1.00 1.39 C ATOM 841 CD1 LEU A 370 88.722 -5.402 -5.831 1.00 1.80 C ATOM 842 CD2 LEU A 370 86.363 -6.220 -5.782 1.00 2.14 C ATOM 0 H LEU A 370 87.783 -6.314 -9.281 1.00 1.38 H new ATOM 0 HA LEU A 370 85.143 -5.438 -8.170 1.00 1.39 H new ATOM 0 HB2 LEU A 370 87.984 -4.263 -8.102 1.00 1.54 H new ATOM 0 HB3 LEU A 370 86.675 -3.876 -7.003 1.00 1.54 H new ATOM 0 HG LEU A 370 87.819 -6.692 -7.299 1.00 1.39 H new ATOM 0 HD11 LEU A 370 89.023 -6.226 -5.183 1.00 1.80 H new ATOM 0 HD12 LEU A 370 89.555 -5.126 -6.477 1.00 1.80 H new ATOM 0 HD13 LEU A 370 88.437 -4.546 -5.220 1.00 1.80 H new ATOM 0 HD21 LEU A 370 86.661 -7.044 -5.134 1.00 2.14 H new ATOM 0 HD22 LEU A 370 86.078 -5.363 -5.172 1.00 2.14 H new ATOM 0 HD23 LEU A 370 85.515 -6.528 -6.393 1.00 2.14 H new ATOM 854 N HIS A 371 86.124 -4.389 -10.920 1.00 1.29 N ATOM 855 CA HIS A 371 86.048 -3.321 -11.956 1.00 1.13 C ATOM 856 C HIS A 371 86.947 -2.163 -11.535 1.00 1.00 C ATOM 857 O HIS A 371 86.727 -1.020 -11.883 1.00 1.35 O ATOM 858 CB HIS A 371 84.589 -2.883 -11.969 1.00 1.54 C ATOM 859 CG HIS A 371 83.705 -4.081 -12.183 1.00 1.50 C ATOM 860 ND1 HIS A 371 83.626 -4.733 -13.403 1.00 1.97 N ATOM 861 CD2 HIS A 371 82.856 -4.757 -11.341 1.00 1.80 C ATOM 862 CE1 HIS A 371 82.757 -5.751 -13.264 1.00 2.10 C ATOM 863 NE2 HIS A 371 82.258 -5.811 -12.026 1.00 1.80 N ATOM 0 H HIS A 371 86.412 -5.307 -11.258 1.00 1.29 H new ATOM 0 HA HIS A 371 86.372 -3.658 -12.940 1.00 1.13 H new ATOM 0 HB2 HIS A 371 84.337 -2.396 -11.027 1.00 1.54 H new ATOM 0 HB3 HIS A 371 84.425 -2.152 -12.760 1.00 1.54 H new ATOM 0 HD2 HIS A 371 82.679 -4.509 -10.305 1.00 1.80 H new ATOM 0 HE1 HIS A 371 82.495 -6.436 -14.057 1.00 2.10 H new ATOM 0 HE2 HIS A 371 81.584 -6.484 -11.661 1.00 1.80 H new ATOM 871 N ALA A 372 87.964 -2.470 -10.790 1.00 0.75 N ATOM 872 CA ALA A 372 88.912 -1.421 -10.327 1.00 0.94 C ATOM 873 C ALA A 372 90.022 -1.213 -11.364 1.00 0.90 C ATOM 874 O ALA A 372 89.908 -1.613 -12.506 1.00 1.04 O ATOM 875 CB ALA A 372 89.492 -1.962 -9.021 1.00 1.12 C ATOM 0 H ALA A 372 88.184 -3.415 -10.476 1.00 0.75 H new ATOM 0 HA ALA A 372 88.425 -0.456 -10.188 1.00 0.94 H new ATOM 0 HB1 ALA A 372 90.204 -1.244 -8.614 1.00 1.12 H new ATOM 0 HB2 ALA A 372 88.687 -2.122 -8.304 1.00 1.12 H new ATOM 0 HB3 ALA A 372 90.000 -2.907 -9.212 1.00 1.12 H new ATOM 881 N THR A 373 91.071 -0.546 -10.977 1.00 0.85 N ATOM 882 CA THR A 373 92.182 -0.246 -11.927 1.00 0.95 C ATOM 883 C THR A 373 93.538 -0.432 -11.243 1.00 0.93 C ATOM 884 O THR A 373 93.736 -0.011 -10.126 1.00 0.95 O ATOM 885 CB THR A 373 91.990 1.221 -12.302 1.00 1.32 C ATOM 886 OG1 THR A 373 90.786 1.371 -13.040 1.00 2.11 O ATOM 887 CG2 THR A 373 93.178 1.700 -13.137 1.00 1.90 C ATOM 0 H THR A 373 91.210 -0.190 -10.031 1.00 0.85 H new ATOM 0 HA THR A 373 92.166 -0.907 -12.794 1.00 0.95 H new ATOM 0 HB THR A 373 91.929 1.821 -11.394 1.00 1.32 H new ATOM 0 HG1 THR A 373 90.664 2.314 -13.278 1.00 2.11 H new ATOM 0 HG21 THR A 373 93.037 2.748 -13.403 1.00 1.90 H new ATOM 0 HG22 THR A 373 94.096 1.592 -12.559 1.00 1.90 H new ATOM 0 HG23 THR A 373 93.249 1.102 -14.045 1.00 1.90 H new ATOM 895 N PHE A 374 94.510 -0.917 -11.956 1.00 1.01 N ATOM 896 CA PHE A 374 95.895 -0.959 -11.396 1.00 1.25 C ATOM 897 C PHE A 374 96.614 0.362 -11.706 1.00 1.63 C ATOM 898 O PHE A 374 96.497 0.895 -12.792 1.00 1.61 O ATOM 899 CB PHE A 374 96.596 -2.101 -12.140 1.00 1.33 C ATOM 900 CG PHE A 374 96.041 -3.439 -11.711 1.00 1.63 C ATOM 901 CD1 PHE A 374 96.313 -3.938 -10.429 1.00 1.41 C ATOM 902 CD2 PHE A 374 95.266 -4.191 -12.605 1.00 2.53 C ATOM 903 CE1 PHE A 374 95.808 -5.187 -10.041 1.00 1.89 C ATOM 904 CE2 PHE A 374 94.763 -5.440 -12.219 1.00 3.09 C ATOM 905 CZ PHE A 374 95.034 -5.938 -10.936 1.00 2.72 C ATOM 0 H PHE A 374 94.411 -1.287 -12.901 1.00 1.01 H new ATOM 0 HA PHE A 374 95.896 -1.105 -10.316 1.00 1.25 H new ATOM 0 HB2 PHE A 374 96.465 -1.975 -13.215 1.00 1.33 H new ATOM 0 HB3 PHE A 374 97.667 -2.066 -11.943 1.00 1.33 H new ATOM 0 HD1 PHE A 374 96.912 -3.360 -9.740 1.00 1.41 H new ATOM 0 HD2 PHE A 374 95.057 -3.807 -13.592 1.00 2.53 H new ATOM 0 HE1 PHE A 374 96.015 -5.570 -9.053 1.00 1.89 H new ATOM 0 HE2 PHE A 374 94.167 -6.019 -12.909 1.00 3.09 H new ATOM 0 HZ PHE A 374 94.646 -6.901 -10.638 1.00 2.72 H new ATOM 915 N VAL A 375 97.448 0.831 -10.818 1.00 2.14 N ATOM 916 CA VAL A 375 98.269 2.038 -11.137 1.00 2.61 C ATOM 917 C VAL A 375 99.743 1.642 -11.280 1.00 2.22 C ATOM 918 O VAL A 375 100.354 1.197 -10.328 1.00 1.65 O ATOM 919 CB VAL A 375 98.087 2.978 -9.949 1.00 3.32 C ATOM 920 CG1 VAL A 375 98.700 4.340 -10.280 1.00 4.00 C ATOM 921 CG2 VAL A 375 96.596 3.147 -9.652 1.00 3.65 C ATOM 0 H VAL A 375 97.597 0.435 -9.890 1.00 2.14 H new ATOM 0 HA VAL A 375 97.964 2.507 -12.073 1.00 2.61 H new ATOM 0 HB VAL A 375 98.584 2.558 -9.074 1.00 3.32 H new ATOM 0 HG11 VAL A 375 98.571 5.013 -9.432 1.00 4.00 H new ATOM 0 HG12 VAL A 375 99.763 4.219 -10.489 1.00 4.00 H new ATOM 0 HG13 VAL A 375 98.204 4.759 -11.155 1.00 4.00 H new ATOM 0 HG21 VAL A 375 96.468 3.819 -8.803 1.00 3.65 H new ATOM 0 HG22 VAL A 375 96.096 3.566 -10.525 1.00 3.65 H new ATOM 0 HG23 VAL A 375 96.160 2.176 -9.416 1.00 3.65 H new ATOM 931 N PRO A 376 100.238 1.747 -12.484 1.00 2.87 N ATOM 932 CA PRO A 376 101.624 1.308 -12.785 1.00 2.67 C ATOM 933 C PRO A 376 102.636 1.980 -11.849 1.00 2.48 C ATOM 934 O PRO A 376 102.445 3.093 -11.399 1.00 3.24 O ATOM 935 CB PRO A 376 101.855 1.744 -14.235 1.00 3.84 C ATOM 936 CG PRO A 376 100.697 2.627 -14.593 1.00 4.63 C ATOM 937 CD PRO A 376 99.565 2.281 -13.667 1.00 4.03 C ATOM 0 HA PRO A 376 101.753 0.235 -12.644 1.00 2.67 H new ATOM 0 HB2 PRO A 376 102.799 2.280 -14.335 1.00 3.84 H new ATOM 0 HB3 PRO A 376 101.906 0.880 -14.898 1.00 3.84 H new ATOM 0 HG2 PRO A 376 100.969 3.677 -14.491 1.00 4.63 H new ATOM 0 HG3 PRO A 376 100.404 2.473 -15.632 1.00 4.63 H new ATOM 0 HD2 PRO A 376 98.964 3.157 -13.425 1.00 4.03 H new ATOM 0 HD3 PRO A 376 98.894 1.547 -14.112 1.00 4.03 H new ATOM 945 N PHE A 377 103.729 1.315 -11.589 1.00 2.13 N ATOM 946 CA PHE A 377 104.793 1.901 -10.722 1.00 3.07 C ATOM 947 C PHE A 377 105.892 2.516 -11.592 1.00 3.61 C ATOM 948 O PHE A 377 106.533 1.839 -12.371 1.00 4.10 O ATOM 949 CB PHE A 377 105.334 0.701 -9.934 1.00 3.15 C ATOM 950 CG PHE A 377 106.469 1.123 -9.022 1.00 3.91 C ATOM 951 CD1 PHE A 377 106.753 2.482 -8.815 1.00 4.01 C ATOM 952 CD2 PHE A 377 107.250 0.144 -8.391 1.00 4.73 C ATOM 953 CE1 PHE A 377 107.813 2.858 -7.980 1.00 4.92 C ATOM 954 CE2 PHE A 377 108.311 0.521 -7.558 1.00 5.70 C ATOM 955 CZ PHE A 377 108.592 1.878 -7.353 1.00 5.79 C ATOM 0 H PHE A 377 103.933 0.381 -11.944 1.00 2.13 H new ATOM 0 HA PHE A 377 104.426 2.694 -10.070 1.00 3.07 H new ATOM 0 HB2 PHE A 377 104.533 0.257 -9.343 1.00 3.15 H new ATOM 0 HB3 PHE A 377 105.683 -0.066 -10.625 1.00 3.15 H new ATOM 0 HD1 PHE A 377 106.154 3.238 -9.300 1.00 4.01 H new ATOM 0 HD2 PHE A 377 107.033 -0.902 -8.548 1.00 4.73 H new ATOM 0 HE1 PHE A 377 108.029 3.904 -7.820 1.00 4.92 H new ATOM 0 HE2 PHE A 377 108.912 -0.234 -7.074 1.00 5.70 H new ATOM 0 HZ PHE A 377 109.410 2.169 -6.711 1.00 5.79 H new ATOM 965 N THR A 378 106.157 3.781 -11.419 1.00 3.85 N ATOM 966 CA THR A 378 107.264 4.420 -12.185 1.00 4.47 C ATOM 967 C THR A 378 108.411 4.775 -11.238 1.00 4.28 C ATOM 968 O THR A 378 108.193 5.187 -10.115 1.00 3.71 O ATOM 969 CB THR A 378 106.652 5.687 -12.786 1.00 4.59 C ATOM 970 OG1 THR A 378 106.435 6.641 -11.756 1.00 4.26 O ATOM 971 CG2 THR A 378 105.321 5.344 -13.457 1.00 5.29 C ATOM 0 H THR A 378 105.656 4.400 -10.781 1.00 3.85 H new ATOM 0 HA THR A 378 107.672 3.764 -12.954 1.00 4.47 H new ATOM 0 HB THR A 378 107.333 6.103 -13.528 1.00 4.59 H new ATOM 0 HG1 THR A 378 105.986 7.428 -12.129 1.00 4.26 H new ATOM 0 HG21 THR A 378 104.886 6.247 -13.885 1.00 5.29 H new ATOM 0 HG22 THR A 378 105.490 4.613 -14.248 1.00 5.29 H new ATOM 0 HG23 THR A 378 104.637 4.927 -12.717 1.00 5.29 H new ATOM 979 N ALA A 379 109.626 4.579 -11.671 1.00 5.01 N ATOM 980 CA ALA A 379 110.791 4.861 -10.784 1.00 5.10 C ATOM 981 C ALA A 379 111.030 6.370 -10.678 1.00 5.05 C ATOM 982 O ALA A 379 111.561 6.854 -9.697 1.00 5.37 O ATOM 983 CB ALA A 379 111.978 4.178 -11.463 1.00 6.13 C ATOM 0 H ALA A 379 109.863 4.235 -12.602 1.00 5.01 H new ATOM 0 HA ALA A 379 110.633 4.495 -9.769 1.00 5.10 H new ATOM 0 HB1 ALA A 379 112.878 4.339 -10.870 1.00 6.13 H new ATOM 0 HB2 ALA A 379 111.784 3.109 -11.545 1.00 6.13 H new ATOM 0 HB3 ALA A 379 112.119 4.599 -12.459 1.00 6.13 H new ATOM 989 N GLN A 380 110.706 7.109 -11.704 1.00 4.87 N ATOM 990 CA GLN A 380 110.991 8.574 -11.678 1.00 4.93 C ATOM 991 C GLN A 380 110.295 9.221 -10.479 1.00 4.05 C ATOM 992 O GLN A 380 110.907 9.930 -9.704 1.00 3.84 O ATOM 993 CB GLN A 380 110.416 9.113 -12.988 1.00 5.65 C ATOM 994 CG GLN A 380 111.163 8.492 -14.169 1.00 6.07 C ATOM 995 CD GLN A 380 110.662 9.112 -15.474 1.00 7.03 C ATOM 996 OE1 GLN A 380 111.048 10.209 -15.827 1.00 7.74 O ATOM 997 NE2 GLN A 380 109.811 8.453 -16.212 1.00 7.22 N ATOM 0 H GLN A 380 110.259 6.766 -12.554 1.00 4.87 H new ATOM 0 HA GLN A 380 112.056 8.789 -11.584 1.00 4.93 H new ATOM 0 HB2 GLN A 380 109.353 8.880 -13.054 1.00 5.65 H new ATOM 0 HB3 GLN A 380 110.507 10.199 -13.017 1.00 5.65 H new ATOM 0 HG2 GLN A 380 112.235 8.659 -14.063 1.00 6.07 H new ATOM 0 HG3 GLN A 380 111.008 7.413 -14.184 1.00 6.07 H new ATOM 0 HE21 GLN A 380 109.486 7.532 -15.917 1.00 7.22 H new ATOM 0 HE22 GLN A 380 109.471 8.859 -17.084 1.00 7.22 H new ATOM 1006 N SER A 381 109.055 8.889 -10.255 1.00 3.64 N ATOM 1007 CA SER A 381 108.363 9.381 -9.031 1.00 3.06 C ATOM 1008 C SER A 381 108.540 8.372 -7.897 1.00 2.42 C ATOM 1009 O SER A 381 108.310 8.674 -6.744 1.00 3.00 O ATOM 1010 CB SER A 381 106.891 9.492 -9.425 1.00 3.49 C ATOM 1011 OG SER A 381 106.343 8.188 -9.569 1.00 3.82 O ATOM 0 H SER A 381 108.491 8.299 -10.866 1.00 3.64 H new ATOM 0 HA SER A 381 108.761 10.334 -8.681 1.00 3.06 H new ATOM 0 HB2 SER A 381 106.341 10.048 -8.666 1.00 3.49 H new ATOM 0 HB3 SER A 381 106.793 10.045 -10.359 1.00 3.49 H new ATOM 0 HG SER A 381 106.616 7.812 -10.432 1.00 3.82 H new ATOM 1017 N ARG A 382 108.896 7.159 -8.227 1.00 1.65 N ATOM 1018 CA ARG A 382 109.024 6.104 -7.182 1.00 1.74 C ATOM 1019 C ARG A 382 107.656 5.834 -6.555 1.00 1.57 C ATOM 1020 O ARG A 382 107.481 5.955 -5.359 1.00 2.08 O ATOM 1021 CB ARG A 382 109.979 6.682 -6.134 1.00 2.53 C ATOM 1022 CG ARG A 382 111.160 7.358 -6.830 1.00 2.69 C ATOM 1023 CD ARG A 382 112.222 7.728 -5.793 1.00 2.89 C ATOM 1024 NE ARG A 382 113.228 8.531 -6.542 1.00 3.36 N ATOM 1025 CZ ARG A 382 114.129 9.225 -5.898 1.00 3.67 C ATOM 1026 NH1 ARG A 382 114.153 9.221 -4.592 1.00 3.72 N ATOM 1027 NH2 ARG A 382 115.007 9.925 -6.562 1.00 4.25 N ATOM 0 H ARG A 382 109.104 6.854 -9.178 1.00 1.65 H new ATOM 0 HA ARG A 382 109.394 5.163 -7.589 1.00 1.74 H new ATOM 0 HB2 ARG A 382 109.453 7.402 -5.507 1.00 2.53 H new ATOM 0 HB3 ARG A 382 110.337 5.889 -5.477 1.00 2.53 H new ATOM 0 HG2 ARG A 382 111.585 6.690 -7.579 1.00 2.69 H new ATOM 0 HG3 ARG A 382 110.823 8.252 -7.355 1.00 2.69 H new ATOM 0 HD2 ARG A 382 111.790 8.302 -4.973 1.00 2.89 H new ATOM 0 HD3 ARG A 382 112.674 6.838 -5.356 1.00 2.89 H new ATOM 0 HE ARG A 382 113.214 8.539 -7.562 1.00 3.36 H new ATOM 0 HH11 ARG A 382 113.467 8.675 -4.071 1.00 3.72 H new ATOM 0 HH12 ARG A 382 114.858 9.764 -4.093 1.00 3.72 H new ATOM 0 HH21 ARG A 382 114.989 9.930 -7.582 1.00 4.25 H new ATOM 0 HH22 ARG A 382 115.711 10.467 -6.061 1.00 4.25 H new ATOM 1041 N MET A 383 106.662 5.553 -7.357 1.00 1.27 N ATOM 1042 CA MET A 383 105.299 5.381 -6.787 1.00 1.19 C ATOM 1043 C MET A 383 104.476 4.391 -7.609 1.00 1.07 C ATOM 1044 O MET A 383 104.476 4.413 -8.824 1.00 1.14 O ATOM 1045 CB MET A 383 104.667 6.772 -6.841 1.00 1.32 C ATOM 1046 CG MET A 383 105.444 7.720 -5.927 1.00 1.51 C ATOM 1047 SD MET A 383 104.604 9.322 -5.865 1.00 2.09 S ATOM 1048 CE MET A 383 103.214 8.811 -4.826 1.00 1.57 C ATOM 0 H MET A 383 106.735 5.437 -8.368 1.00 1.27 H new ATOM 0 HA MET A 383 105.337 4.981 -5.774 1.00 1.19 H new ATOM 0 HB2 MET A 383 104.676 7.148 -7.864 1.00 1.32 H new ATOM 0 HB3 MET A 383 103.624 6.722 -6.529 1.00 1.32 H new ATOM 0 HG2 MET A 383 105.518 7.297 -4.925 1.00 1.51 H new ATOM 0 HG3 MET A 383 106.462 7.845 -6.296 1.00 1.51 H new ATOM 0 HE1 MET A 383 102.286 8.903 -5.390 1.00 1.57 H new ATOM 0 HE2 MET A 383 103.351 7.774 -4.519 1.00 1.57 H new ATOM 0 HE3 MET A 383 103.167 9.448 -3.943 1.00 1.57 H new ATOM 1058 N SER A 384 103.660 3.637 -6.935 1.00 0.97 N ATOM 1059 CA SER A 384 102.677 2.758 -7.617 1.00 1.02 C ATOM 1060 C SER A 384 101.418 2.712 -6.758 1.00 0.93 C ATOM 1061 O SER A 384 101.418 3.180 -5.642 1.00 0.83 O ATOM 1062 CB SER A 384 103.343 1.386 -7.672 1.00 1.23 C ATOM 1063 OG SER A 384 103.259 0.772 -6.393 1.00 1.18 O ATOM 0 H SER A 384 103.633 3.592 -5.916 1.00 0.97 H new ATOM 0 HA SER A 384 102.401 3.099 -8.615 1.00 1.02 H new ATOM 0 HB2 SER A 384 102.855 0.762 -8.421 1.00 1.23 H new ATOM 0 HB3 SER A 384 104.386 1.487 -7.972 1.00 1.23 H new ATOM 0 HG SER A 384 104.057 0.223 -6.241 1.00 1.18 H new ATOM 1069 N GLY A 385 100.335 2.204 -7.259 1.00 1.02 N ATOM 1070 CA GLY A 385 99.098 2.209 -6.433 1.00 1.00 C ATOM 1071 C GLY A 385 97.989 1.447 -7.135 1.00 0.95 C ATOM 1072 O GLY A 385 98.206 0.725 -8.087 1.00 1.13 O ATOM 0 H GLY A 385 100.248 1.791 -8.188 1.00 1.02 H new ATOM 0 HA2 GLY A 385 99.300 1.757 -5.462 1.00 1.00 H new ATOM 0 HA3 GLY A 385 98.781 3.235 -6.247 1.00 1.00 H new ATOM 1076 N ILE A 386 96.799 1.617 -6.665 1.00 0.80 N ATOM 1077 CA ILE A 386 95.639 0.932 -7.275 1.00 0.78 C ATOM 1078 C ILE A 386 94.393 1.783 -7.065 1.00 0.77 C ATOM 1079 O ILE A 386 94.253 2.455 -6.067 1.00 0.80 O ATOM 1080 CB ILE A 386 95.533 -0.387 -6.519 1.00 0.81 C ATOM 1081 CG1 ILE A 386 94.192 -1.047 -6.812 1.00 0.86 C ATOM 1082 CG2 ILE A 386 95.642 -0.136 -5.017 1.00 0.84 C ATOM 1083 CD1 ILE A 386 94.140 -2.366 -6.055 1.00 1.26 C ATOM 0 H ILE A 386 96.574 2.213 -5.868 1.00 0.80 H new ATOM 0 HA ILE A 386 95.745 0.772 -8.348 1.00 0.78 H new ATOM 0 HB ILE A 386 96.343 -1.041 -6.843 1.00 0.81 H new ATOM 0 HG12 ILE A 386 93.373 -0.398 -6.503 1.00 0.86 H new ATOM 0 HG13 ILE A 386 94.077 -1.217 -7.882 1.00 0.86 H new ATOM 0 HG21 ILE A 386 95.565 -1.083 -4.483 1.00 0.84 H new ATOM 0 HG22 ILE A 386 96.602 0.329 -4.795 1.00 0.84 H new ATOM 0 HG23 ILE A 386 94.836 0.526 -4.699 1.00 0.84 H new ATOM 0 HD11 ILE A 386 93.187 -2.859 -6.249 1.00 1.26 H new ATOM 0 HD12 ILE A 386 94.955 -3.009 -6.387 1.00 1.26 H new ATOM 0 HD13 ILE A 386 94.240 -2.176 -4.986 1.00 1.26 H new ATOM 1095 N ASN A 387 93.465 1.713 -7.961 1.00 0.78 N ATOM 1096 CA ASN A 387 92.199 2.465 -7.771 1.00 0.83 C ATOM 1097 C ASN A 387 91.041 1.478 -7.782 1.00 0.92 C ATOM 1098 O ASN A 387 91.035 0.540 -8.544 1.00 0.86 O ATOM 1099 CB ASN A 387 92.100 3.410 -8.972 1.00 0.91 C ATOM 1100 CG ASN A 387 93.461 4.051 -9.239 1.00 1.31 C ATOM 1101 OD1 ASN A 387 94.258 4.295 -8.238 1.00 2.04 O flip ATOM 1102 ND2 ASN A 387 93.804 4.330 -10.371 1.00 1.81 N flip ATOM 0 H ASN A 387 93.523 1.168 -8.821 1.00 0.78 H new ATOM 0 HA ASN A 387 92.171 3.015 -6.831 1.00 0.83 H new ATOM 0 HB2 ASN A 387 91.768 2.860 -9.853 1.00 0.91 H new ATOM 0 HB3 ASN A 387 91.356 4.182 -8.778 1.00 0.91 H new ATOM 0 HD21 ASN A 387 93.180 4.139 -11.155 1.00 1.81 H new ATOM 0 HD22 ASN A 387 94.716 4.755 -10.537 1.00 1.81 H new ATOM 1109 N ILE A 388 90.032 1.701 -7.003 1.00 1.18 N ATOM 1110 CA ILE A 388 88.865 0.785 -7.068 1.00 1.31 C ATOM 1111 C ILE A 388 87.573 1.557 -6.836 1.00 1.70 C ATOM 1112 O ILE A 388 87.590 2.724 -6.498 1.00 1.89 O ATOM 1113 CB ILE A 388 89.100 -0.239 -5.965 1.00 1.24 C ATOM 1114 CG1 ILE A 388 87.942 -1.235 -5.937 1.00 1.66 C ATOM 1115 CG2 ILE A 388 89.187 0.481 -4.625 1.00 1.50 C ATOM 1116 CD1 ILE A 388 88.447 -2.577 -5.412 1.00 2.11 C ATOM 0 H ILE A 388 89.960 2.465 -6.332 1.00 1.18 H new ATOM 0 HA ILE A 388 88.768 0.307 -8.043 1.00 1.31 H new ATOM 0 HB ILE A 388 90.030 -0.775 -6.154 1.00 1.24 H new ATOM 0 HG12 ILE A 388 87.140 -0.861 -5.301 1.00 1.66 H new ATOM 0 HG13 ILE A 388 87.526 -1.355 -6.937 1.00 1.66 H new ATOM 0 HG21 ILE A 388 89.355 -0.247 -3.831 1.00 1.50 H new ATOM 0 HG22 ILE A 388 90.013 1.192 -4.647 1.00 1.50 H new ATOM 0 HG23 ILE A 388 88.255 1.014 -4.437 1.00 1.50 H new ATOM 0 HD11 ILE A 388 87.624 -3.292 -5.390 1.00 2.11 H new ATOM 0 HD12 ILE A 388 89.235 -2.950 -6.066 1.00 2.11 H new ATOM 0 HD13 ILE A 388 88.843 -2.448 -4.405 1.00 2.11 H new ATOM 1128 N ASP A 389 86.461 0.960 -7.157 1.00 1.97 N ATOM 1129 CA ASP A 389 85.169 1.702 -7.136 1.00 2.37 C ATOM 1130 C ASP A 389 84.765 2.195 -5.729 1.00 2.14 C ATOM 1131 O ASP A 389 83.710 2.776 -5.567 1.00 2.92 O ATOM 1132 CB ASP A 389 84.158 0.673 -7.630 1.00 2.65 C ATOM 1133 CG ASP A 389 84.356 0.439 -9.129 1.00 3.31 C ATOM 1134 OD1 ASP A 389 85.118 1.180 -9.728 1.00 3.63 O ATOM 1135 OD2 ASP A 389 83.743 -0.477 -9.652 1.00 3.85 O ATOM 0 H ASP A 389 86.390 -0.019 -7.436 1.00 1.97 H new ATOM 0 HA ASP A 389 85.230 2.606 -7.742 1.00 2.37 H new ATOM 0 HB2 ASP A 389 84.281 -0.263 -7.086 1.00 2.65 H new ATOM 0 HB3 ASP A 389 83.144 1.023 -7.437 1.00 2.65 H new ATOM 1140 N ASN A 390 85.610 2.079 -4.737 1.00 1.20 N ATOM 1141 CA ASN A 390 85.263 2.669 -3.411 1.00 1.12 C ATOM 1142 C ASN A 390 86.512 3.201 -2.687 1.00 0.97 C ATOM 1143 O ASN A 390 86.449 3.558 -1.528 1.00 1.15 O ATOM 1144 CB ASN A 390 84.642 1.517 -2.621 1.00 1.13 C ATOM 1145 CG ASN A 390 83.901 2.072 -1.404 1.00 1.53 C ATOM 1146 OD1 ASN A 390 82.957 2.825 -1.544 1.00 2.33 O ATOM 1147 ND2 ASN A 390 84.291 1.731 -0.206 1.00 1.89 N ATOM 0 H ASN A 390 86.513 1.608 -4.786 1.00 1.20 H new ATOM 0 HA ASN A 390 84.588 3.519 -3.515 1.00 1.12 H new ATOM 0 HB2 ASN A 390 83.954 0.957 -3.255 1.00 1.13 H new ATOM 0 HB3 ASN A 390 85.418 0.822 -2.301 1.00 1.13 H new ATOM 0 HD21 ASN A 390 83.804 2.096 0.612 1.00 1.89 H new ATOM 0 HD22 ASN A 390 85.083 1.099 -0.088 1.00 1.89 H new ATOM 1154 N ARG A 391 87.667 3.147 -3.306 1.00 0.83 N ATOM 1155 CA ARG A 391 88.911 3.527 -2.574 1.00 0.73 C ATOM 1156 C ARG A 391 90.016 3.938 -3.550 1.00 0.74 C ATOM 1157 O ARG A 391 90.100 3.429 -4.647 1.00 1.10 O ATOM 1158 CB ARG A 391 89.329 2.266 -1.814 1.00 0.94 C ATOM 1159 CG ARG A 391 88.280 1.924 -0.753 1.00 1.05 C ATOM 1160 CD ARG A 391 88.808 0.801 0.143 1.00 1.30 C ATOM 1161 NE ARG A 391 87.648 0.408 0.991 1.00 1.92 N ATOM 1162 CZ ARG A 391 87.772 -0.547 1.874 1.00 2.13 C ATOM 1163 NH1 ARG A 391 88.915 -1.164 2.021 1.00 2.15 N ATOM 1164 NH2 ARG A 391 86.751 -0.886 2.612 1.00 2.69 N ATOM 0 H ARG A 391 87.799 2.859 -4.276 1.00 0.83 H new ATOM 0 HA ARG A 391 88.742 4.376 -1.912 1.00 0.73 H new ATOM 0 HB2 ARG A 391 89.441 1.433 -2.508 1.00 0.94 H new ATOM 0 HB3 ARG A 391 90.299 2.421 -1.342 1.00 0.94 H new ATOM 0 HG2 ARG A 391 88.053 2.806 -0.154 1.00 1.05 H new ATOM 0 HG3 ARG A 391 87.350 1.615 -1.231 1.00 1.05 H new ATOM 0 HD2 ARG A 391 89.167 -0.041 -0.449 1.00 1.30 H new ATOM 0 HD3 ARG A 391 89.645 1.142 0.752 1.00 1.30 H new ATOM 0 HE ARG A 391 86.754 0.886 0.882 1.00 1.92 H new ATOM 0 HH11 ARG A 391 89.715 -0.900 1.445 1.00 2.15 H new ATOM 0 HH12 ARG A 391 89.007 -1.909 2.712 1.00 2.15 H new ATOM 0 HH21 ARG A 391 85.858 -0.406 2.499 1.00 2.69 H new ATOM 0 HH22 ARG A 391 86.846 -1.631 3.302 1.00 2.69 H new ATOM 1178 N MET A 392 90.989 4.659 -3.069 1.00 0.48 N ATOM 1179 CA MET A 392 92.229 4.861 -3.873 1.00 0.51 C ATOM 1180 C MET A 392 93.451 4.542 -3.003 1.00 0.48 C ATOM 1181 O MET A 392 93.490 4.883 -1.837 1.00 0.52 O ATOM 1182 CB MET A 392 92.215 6.338 -4.270 1.00 0.59 C ATOM 1183 CG MET A 392 90.933 6.648 -5.044 1.00 1.14 C ATOM 1184 SD MET A 392 90.819 5.558 -6.484 1.00 1.31 S ATOM 1185 CE MET A 392 92.307 6.146 -7.330 1.00 2.02 C ATOM 0 H MET A 392 90.981 5.116 -2.157 1.00 0.48 H new ATOM 0 HA MET A 392 92.274 4.216 -4.751 1.00 0.51 H new ATOM 0 HB2 MET A 392 92.275 6.965 -3.380 1.00 0.59 H new ATOM 0 HB3 MET A 392 93.087 6.569 -4.882 1.00 0.59 H new ATOM 0 HG2 MET A 392 90.064 6.510 -4.400 1.00 1.14 H new ATOM 0 HG3 MET A 392 90.931 7.690 -5.363 1.00 1.14 H new ATOM 0 HE1 MET A 392 92.185 6.025 -8.406 1.00 2.02 H new ATOM 0 HE2 MET A 392 92.465 7.199 -7.098 1.00 2.02 H new ATOM 0 HE3 MET A 392 93.168 5.568 -6.995 1.00 2.02 H new ATOM 1195 N ILE A 393 94.456 3.909 -3.548 1.00 0.45 N ATOM 1196 CA ILE A 393 95.663 3.605 -2.726 1.00 0.45 C ATOM 1197 C ILE A 393 96.930 4.034 -3.468 1.00 0.50 C ATOM 1198 O ILE A 393 97.085 3.773 -4.643 1.00 0.60 O ATOM 1199 CB ILE A 393 95.638 2.089 -2.523 1.00 0.43 C ATOM 1200 CG1 ILE A 393 94.273 1.672 -1.969 1.00 1.21 C ATOM 1201 CG2 ILE A 393 96.735 1.693 -1.530 1.00 0.98 C ATOM 1202 CD1 ILE A 393 94.095 2.239 -0.559 1.00 1.68 C ATOM 0 H ILE A 393 94.494 3.592 -4.517 1.00 0.45 H new ATOM 0 HA ILE A 393 95.660 4.138 -1.775 1.00 0.45 H new ATOM 0 HB ILE A 393 95.811 1.589 -3.476 1.00 0.43 H new ATOM 0 HG12 ILE A 393 93.479 2.035 -2.621 1.00 1.21 H new ATOM 0 HG13 ILE A 393 94.195 0.585 -1.947 1.00 1.21 H new ATOM 0 HG21 ILE A 393 96.720 0.613 -1.383 1.00 0.98 H new ATOM 0 HG22 ILE A 393 97.707 1.992 -1.923 1.00 0.98 H new ATOM 0 HG23 ILE A 393 96.560 2.191 -0.577 1.00 0.98 H new ATOM 0 HD11 ILE A 393 93.123 1.941 -0.167 1.00 1.68 H new ATOM 0 HD12 ILE A 393 94.882 1.854 0.090 1.00 1.68 H new ATOM 0 HD13 ILE A 393 94.154 3.327 -0.594 1.00 1.68 H new ATOM 1214 N ARG A 394 97.874 4.604 -2.770 1.00 0.63 N ATOM 1215 CA ARG A 394 99.173 4.948 -3.417 1.00 0.72 C ATOM 1216 C ARG A 394 100.337 4.654 -2.466 1.00 0.60 C ATOM 1217 O ARG A 394 100.261 4.898 -1.282 1.00 0.54 O ATOM 1218 CB ARG A 394 99.086 6.445 -3.716 1.00 0.78 C ATOM 1219 CG ARG A 394 98.041 6.691 -4.805 1.00 1.27 C ATOM 1220 CD ARG A 394 98.580 6.198 -6.149 1.00 1.04 C ATOM 1221 NE ARG A 394 97.576 6.649 -7.153 1.00 1.47 N ATOM 1222 CZ ARG A 394 97.914 6.787 -8.408 1.00 1.92 C ATOM 1223 NH1 ARG A 394 99.132 6.519 -8.797 1.00 2.78 N ATOM 1224 NH2 ARG A 394 97.030 7.192 -9.277 1.00 2.09 N ATOM 0 H ARG A 394 97.803 4.846 -1.782 1.00 0.63 H new ATOM 0 HA ARG A 394 99.349 4.363 -4.320 1.00 0.72 H new ATOM 0 HB2 ARG A 394 98.819 6.992 -2.812 1.00 0.78 H new ATOM 0 HB3 ARG A 394 100.058 6.819 -4.039 1.00 0.78 H new ATOM 0 HG2 ARG A 394 97.115 6.171 -4.560 1.00 1.27 H new ATOM 0 HG3 ARG A 394 97.804 7.753 -4.864 1.00 1.27 H new ATOM 0 HD2 ARG A 394 99.564 6.618 -6.358 1.00 1.04 H new ATOM 0 HD3 ARG A 394 98.688 5.113 -6.158 1.00 1.04 H new ATOM 0 HE ARG A 394 96.620 6.851 -6.860 1.00 1.47 H new ATOM 0 HH11 ARG A 394 99.825 6.200 -8.120 1.00 2.78 H new ATOM 0 HH12 ARG A 394 99.390 6.629 -9.778 1.00 2.78 H new ATOM 0 HH21 ARG A 394 96.078 7.400 -8.977 1.00 2.09 H new ATOM 0 HH22 ARG A 394 97.291 7.301 -10.257 1.00 2.09 H new ATOM 1238 N LYS A 395 101.430 4.178 -2.993 1.00 0.63 N ATOM 1239 CA LYS A 395 102.631 3.916 -2.148 1.00 0.58 C ATOM 1240 C LYS A 395 103.892 4.278 -2.932 1.00 0.60 C ATOM 1241 O LYS A 395 103.958 4.091 -4.126 1.00 0.68 O ATOM 1242 CB LYS A 395 102.597 2.416 -1.866 1.00 0.72 C ATOM 1243 CG LYS A 395 103.616 2.072 -0.779 1.00 0.80 C ATOM 1244 CD LYS A 395 104.951 1.723 -1.433 1.00 1.11 C ATOM 1245 CE LYS A 395 104.787 0.457 -2.276 1.00 1.15 C ATOM 1246 NZ LYS A 395 106.135 -0.172 -2.279 1.00 1.57 N ATOM 0 H LYS A 395 101.545 3.957 -3.982 1.00 0.63 H new ATOM 0 HA LYS A 395 102.633 4.502 -1.229 1.00 0.58 H new ATOM 0 HB2 LYS A 395 101.598 2.119 -1.548 1.00 0.72 H new ATOM 0 HB3 LYS A 395 102.821 1.860 -2.776 1.00 0.72 H new ATOM 0 HG2 LYS A 395 103.740 2.916 -0.100 1.00 0.80 H new ATOM 0 HG3 LYS A 395 103.259 1.232 -0.182 1.00 0.80 H new ATOM 0 HD2 LYS A 395 105.289 2.549 -2.059 1.00 1.11 H new ATOM 0 HD3 LYS A 395 105.713 1.569 -0.670 1.00 1.11 H new ATOM 0 HE2 LYS A 395 104.040 -0.210 -1.847 1.00 1.15 H new ATOM 0 HE3 LYS A 395 104.459 0.695 -3.288 1.00 1.15 H new ATOM 0 HZ1 LYS A 395 106.116 -1.031 -2.866 1.00 1.57 H new ATOM 0 HZ2 LYS A 395 106.830 0.498 -2.667 1.00 1.57 H new ATOM 0 HZ3 LYS A 395 106.403 -0.423 -1.306 1.00 1.57 H new ATOM 1260 N GLY A 396 104.889 4.801 -2.280 1.00 0.56 N ATOM 1261 CA GLY A 396 106.132 5.175 -3.018 1.00 0.60 C ATOM 1262 C GLY A 396 107.144 5.806 -2.064 1.00 0.55 C ATOM 1263 O GLY A 396 107.157 5.523 -0.883 1.00 0.82 O ATOM 0 H GLY A 396 104.902 4.986 -1.277 1.00 0.56 H new ATOM 0 HA2 GLY A 396 106.565 4.291 -3.486 1.00 0.60 H new ATOM 0 HA3 GLY A 396 105.891 5.874 -3.819 1.00 0.60 H new ATOM 1267 N SER A 397 108.021 6.627 -2.578 1.00 0.50 N ATOM 1268 CA SER A 397 109.067 7.234 -1.709 1.00 0.60 C ATOM 1269 C SER A 397 108.448 8.263 -0.761 1.00 0.48 C ATOM 1270 O SER A 397 107.361 8.758 -0.987 1.00 0.61 O ATOM 1271 CB SER A 397 110.062 7.896 -2.664 1.00 0.91 C ATOM 1272 OG SER A 397 110.527 6.931 -3.599 1.00 1.17 O ATOM 0 H SER A 397 108.057 6.902 -3.560 1.00 0.50 H new ATOM 0 HA SER A 397 109.555 6.489 -1.081 1.00 0.60 H new ATOM 0 HB2 SER A 397 109.586 8.726 -3.186 1.00 0.91 H new ATOM 0 HB3 SER A 397 110.900 8.311 -2.104 1.00 0.91 H new ATOM 0 HG SER A 397 111.467 6.724 -3.416 1.00 1.17 H new ATOM 1278 N VAL A 398 109.109 8.551 0.327 1.00 0.53 N ATOM 1279 CA VAL A 398 108.531 9.506 1.312 1.00 0.47 C ATOM 1280 C VAL A 398 108.300 10.861 0.649 1.00 0.51 C ATOM 1281 O VAL A 398 107.206 11.383 0.655 1.00 0.51 O ATOM 1282 CB VAL A 398 109.579 9.623 2.414 1.00 0.46 C ATOM 1283 CG1 VAL A 398 109.149 10.702 3.409 1.00 0.50 C ATOM 1284 CG2 VAL A 398 109.703 8.282 3.135 1.00 0.51 C ATOM 0 H VAL A 398 110.021 8.167 0.575 1.00 0.53 H new ATOM 0 HA VAL A 398 107.570 9.170 1.701 1.00 0.47 H new ATOM 0 HB VAL A 398 110.542 9.893 1.980 1.00 0.46 H new ATOM 0 HG11 VAL A 398 109.896 10.788 4.198 1.00 0.50 H new ATOM 0 HG12 VAL A 398 109.056 11.657 2.892 1.00 0.50 H new ATOM 0 HG13 VAL A 398 108.188 10.431 3.847 1.00 0.50 H new ATOM 0 HG21 VAL A 398 110.451 8.361 3.924 1.00 0.51 H new ATOM 0 HG22 VAL A 398 108.741 8.014 3.572 1.00 0.51 H new ATOM 0 HG23 VAL A 398 110.005 7.513 2.424 1.00 0.51 H new ATOM 1294 N ASP A 399 109.280 11.364 -0.047 1.00 0.55 N ATOM 1295 CA ASP A 399 109.052 12.598 -0.845 1.00 0.62 C ATOM 1296 C ASP A 399 107.960 12.330 -1.878 1.00 0.64 C ATOM 1297 O ASP A 399 107.120 13.165 -2.150 1.00 0.64 O ATOM 1298 CB ASP A 399 110.388 12.881 -1.533 1.00 0.71 C ATOM 1299 CG ASP A 399 111.435 13.255 -0.482 1.00 1.10 C ATOM 1300 OD1 ASP A 399 111.048 13.505 0.648 1.00 1.46 O ATOM 1301 OD2 ASP A 399 112.605 13.286 -0.825 1.00 1.59 O ATOM 0 H ASP A 399 110.222 10.977 -0.098 1.00 0.55 H new ATOM 0 HA ASP A 399 108.731 13.444 -0.237 1.00 0.62 H new ATOM 0 HB2 ASP A 399 110.715 12.003 -2.091 1.00 0.71 H new ATOM 0 HB3 ASP A 399 110.274 13.692 -2.252 1.00 0.71 H new ATOM 1306 N ALA A 400 107.956 11.154 -2.439 1.00 0.70 N ATOM 1307 CA ALA A 400 106.914 10.806 -3.442 1.00 0.76 C ATOM 1308 C ALA A 400 105.515 10.892 -2.818 1.00 0.72 C ATOM 1309 O ALA A 400 104.614 11.488 -3.376 1.00 0.75 O ATOM 1310 CB ALA A 400 107.237 9.366 -3.852 1.00 0.85 C ATOM 0 H ALA A 400 108.633 10.416 -2.245 1.00 0.70 H new ATOM 0 HA ALA A 400 106.915 11.487 -4.293 1.00 0.76 H new ATOM 0 HB1 ALA A 400 106.513 9.028 -4.594 1.00 0.85 H new ATOM 0 HB2 ALA A 400 108.239 9.325 -4.278 1.00 0.85 H new ATOM 0 HB3 ALA A 400 107.189 8.719 -2.976 1.00 0.85 H new ATOM 1316 N ILE A 401 105.308 10.277 -1.685 1.00 0.67 N ATOM 1317 CA ILE A 401 103.947 10.303 -1.072 1.00 0.66 C ATOM 1318 C ILE A 401 103.576 11.716 -0.612 1.00 0.59 C ATOM 1319 O ILE A 401 102.451 12.144 -0.756 1.00 0.64 O ATOM 1320 CB ILE A 401 104.027 9.347 0.117 1.00 0.64 C ATOM 1321 CG1 ILE A 401 104.407 7.946 -0.376 1.00 0.81 C ATOM 1322 CG2 ILE A 401 102.669 9.290 0.818 1.00 0.68 C ATOM 1323 CD1 ILE A 401 103.556 7.578 -1.594 1.00 0.62 C ATOM 0 H ILE A 401 106.015 9.762 -1.160 1.00 0.67 H new ATOM 0 HA ILE A 401 103.177 10.005 -1.784 1.00 0.66 H new ATOM 0 HB ILE A 401 104.783 9.702 0.817 1.00 0.64 H new ATOM 0 HG12 ILE A 401 105.465 7.917 -0.637 1.00 0.81 H new ATOM 0 HG13 ILE A 401 104.255 7.217 0.420 1.00 0.81 H new ATOM 0 HG21 ILE A 401 102.726 8.608 1.666 1.00 0.68 H new ATOM 0 HG22 ILE A 401 102.399 10.286 1.170 1.00 0.68 H new ATOM 0 HG23 ILE A 401 101.913 8.936 0.118 1.00 0.68 H new ATOM 0 HD11 ILE A 401 103.829 6.582 -1.941 1.00 0.62 H new ATOM 0 HD12 ILE A 401 102.502 7.590 -1.318 1.00 0.62 H new ATOM 0 HD13 ILE A 401 103.730 8.300 -2.391 1.00 0.62 H new ATOM 1335 N ARG A 402 104.509 12.455 -0.084 1.00 0.50 N ATOM 1336 CA ARG A 402 104.191 13.846 0.349 1.00 0.47 C ATOM 1337 C ARG A 402 103.667 14.660 -0.838 1.00 0.54 C ATOM 1338 O ARG A 402 102.709 15.397 -0.722 1.00 0.62 O ATOM 1339 CB ARG A 402 105.514 14.420 0.854 1.00 0.44 C ATOM 1340 CG ARG A 402 105.278 15.817 1.430 1.00 1.17 C ATOM 1341 CD ARG A 402 106.597 16.378 1.968 1.00 1.24 C ATOM 1342 NE ARG A 402 107.429 16.629 0.758 1.00 1.71 N ATOM 1343 CZ ARG A 402 108.631 17.127 0.879 1.00 2.17 C ATOM 1344 NH1 ARG A 402 109.112 17.409 2.060 1.00 2.62 N ATOM 1345 NH2 ARG A 402 109.354 17.344 -0.186 1.00 2.61 N ATOM 0 H ARG A 402 105.474 12.160 0.067 1.00 0.50 H new ATOM 0 HA ARG A 402 103.419 13.873 1.118 1.00 0.47 H new ATOM 0 HB2 ARG A 402 105.938 13.767 1.617 1.00 0.44 H new ATOM 0 HB3 ARG A 402 106.236 14.468 0.039 1.00 0.44 H new ATOM 0 HG2 ARG A 402 104.877 16.476 0.660 1.00 1.17 H new ATOM 0 HG3 ARG A 402 104.537 15.772 2.228 1.00 1.17 H new ATOM 0 HD2 ARG A 402 106.435 17.296 2.533 1.00 1.24 H new ATOM 0 HD3 ARG A 402 107.082 15.671 2.641 1.00 1.24 H new ATOM 0 HE ARG A 402 107.059 16.412 -0.167 1.00 1.71 H new ATOM 0 HH11 ARG A 402 108.549 17.241 2.894 1.00 2.62 H new ATOM 0 HH12 ARG A 402 110.051 17.798 2.149 1.00 2.62 H new ATOM 0 HH21 ARG A 402 108.980 17.125 -1.109 1.00 2.61 H new ATOM 0 HH22 ARG A 402 110.293 17.733 -0.095 1.00 2.61 H new ATOM 1359 N ARG A 403 104.266 14.511 -1.988 1.00 0.54 N ATOM 1360 CA ARG A 403 103.777 15.256 -3.184 1.00 0.62 C ATOM 1361 C ARG A 403 102.391 14.760 -3.606 1.00 0.72 C ATOM 1362 O ARG A 403 101.529 15.535 -3.968 1.00 0.82 O ATOM 1363 CB ARG A 403 104.803 14.978 -4.273 1.00 0.63 C ATOM 1364 CG ARG A 403 106.136 15.598 -3.863 1.00 0.83 C ATOM 1365 CD ARG A 403 106.977 15.842 -5.109 1.00 0.96 C ATOM 1366 NE ARG A 403 107.147 14.500 -5.732 1.00 1.38 N ATOM 1367 CZ ARG A 403 107.859 14.364 -6.819 1.00 2.01 C ATOM 1368 NH1 ARG A 403 108.428 15.404 -7.368 1.00 2.48 N ATOM 1369 NH2 ARG A 403 108.003 13.185 -7.359 1.00 2.46 N ATOM 0 H ARG A 403 105.071 13.907 -2.151 1.00 0.54 H new ATOM 0 HA ARG A 403 103.674 16.322 -2.983 1.00 0.62 H new ATOM 0 HB2 ARG A 403 104.916 13.904 -4.420 1.00 0.63 H new ATOM 0 HB3 ARG A 403 104.468 15.396 -5.222 1.00 0.63 H new ATOM 0 HG2 ARG A 403 105.967 16.536 -3.334 1.00 0.83 H new ATOM 0 HG3 ARG A 403 106.664 14.935 -3.177 1.00 0.83 H new ATOM 0 HD2 ARG A 403 106.481 16.533 -5.790 1.00 0.96 H new ATOM 0 HD3 ARG A 403 107.941 16.283 -4.854 1.00 0.96 H new ATOM 0 HE ARG A 403 106.706 13.684 -5.308 1.00 1.38 H new ATOM 0 HH11 ARG A 403 108.317 16.327 -6.948 1.00 2.48 H new ATOM 0 HH12 ARG A 403 108.983 15.293 -8.217 1.00 2.48 H new ATOM 0 HH21 ARG A 403 107.560 12.371 -6.933 1.00 2.46 H new ATOM 0 HH22 ARG A 403 108.559 13.077 -8.208 1.00 2.46 H new ATOM 1383 N HIS A 404 102.146 13.482 -3.513 1.00 0.74 N ATOM 1384 CA HIS A 404 100.793 12.960 -3.859 1.00 0.86 C ATOM 1385 C HIS A 404 99.735 13.516 -2.899 1.00 0.84 C ATOM 1386 O HIS A 404 98.655 13.901 -3.305 1.00 0.94 O ATOM 1387 CB HIS A 404 100.905 11.444 -3.721 1.00 0.92 C ATOM 1388 CG HIS A 404 99.582 10.813 -4.057 1.00 1.32 C ATOM 1389 ND1 HIS A 404 99.079 10.794 -5.348 1.00 1.39 N ATOM 1390 CD2 HIS A 404 98.642 10.183 -3.279 1.00 2.29 C ATOM 1391 CE1 HIS A 404 97.886 10.171 -5.309 1.00 1.88 C ATOM 1392 NE2 HIS A 404 97.572 9.779 -4.071 1.00 2.43 N ATOM 0 H HIS A 404 102.821 12.778 -3.214 1.00 0.74 H new ATOM 0 HA HIS A 404 100.486 13.256 -4.862 1.00 0.86 H new ATOM 0 HB2 HIS A 404 101.681 11.064 -4.385 1.00 0.92 H new ATOM 0 HB3 HIS A 404 101.198 11.181 -2.705 1.00 0.92 H new ATOM 0 HD2 HIS A 404 98.721 10.025 -2.214 1.00 2.29 H new ATOM 0 HE1 HIS A 404 97.259 10.008 -6.173 1.00 1.88 H new ATOM 0 HE2 HIS A 404 96.729 9.289 -3.771 1.00 2.43 H new ATOM 1400 N VAL A 405 100.045 13.599 -1.637 1.00 0.76 N ATOM 1401 CA VAL A 405 99.064 14.166 -0.670 1.00 0.79 C ATOM 1402 C VAL A 405 98.807 15.645 -0.973 1.00 0.85 C ATOM 1403 O VAL A 405 97.685 16.102 -0.958 1.00 0.94 O ATOM 1404 CB VAL A 405 99.715 13.999 0.703 1.00 0.76 C ATOM 1405 CG1 VAL A 405 98.819 14.621 1.774 1.00 0.80 C ATOM 1406 CG2 VAL A 405 99.906 12.510 0.999 1.00 0.76 C ATOM 0 H VAL A 405 100.933 13.300 -1.233 1.00 0.76 H new ATOM 0 HA VAL A 405 98.098 13.664 -0.724 1.00 0.79 H new ATOM 0 HB VAL A 405 100.684 14.498 0.707 1.00 0.76 H new ATOM 0 HG11 VAL A 405 99.284 14.501 2.752 1.00 0.80 H new ATOM 0 HG12 VAL A 405 98.684 15.682 1.564 1.00 0.80 H new ATOM 0 HG13 VAL A 405 97.849 14.124 1.770 1.00 0.80 H new ATOM 0 HG21 VAL A 405 100.370 12.390 1.978 1.00 0.76 H new ATOM 0 HG22 VAL A 405 98.937 12.011 0.993 1.00 0.76 H new ATOM 0 HG23 VAL A 405 100.547 12.067 0.237 1.00 0.76 H new ATOM 1416 N GLU A 406 99.835 16.407 -1.215 1.00 0.84 N ATOM 1417 CA GLU A 406 99.632 17.862 -1.472 1.00 0.95 C ATOM 1418 C GLU A 406 98.790 18.080 -2.735 1.00 1.05 C ATOM 1419 O GLU A 406 98.001 19.000 -2.810 1.00 1.19 O ATOM 1420 CB GLU A 406 101.039 18.432 -1.661 1.00 0.91 C ATOM 1421 CG GLU A 406 101.823 18.298 -0.354 1.00 0.88 C ATOM 1422 CD GLU A 406 103.208 18.926 -0.523 1.00 1.43 C ATOM 1423 OE1 GLU A 406 103.549 19.267 -1.643 1.00 2.16 O ATOM 1424 OE2 GLU A 406 103.903 19.056 0.471 1.00 1.86 O ATOM 0 H GLU A 406 100.804 16.089 -1.246 1.00 0.84 H new ATOM 0 HA GLU A 406 99.098 18.348 -0.655 1.00 0.95 H new ATOM 0 HB2 GLU A 406 101.553 17.901 -2.462 1.00 0.91 H new ATOM 0 HB3 GLU A 406 100.982 19.479 -1.958 1.00 0.91 H new ATOM 0 HG2 GLU A 406 101.286 18.790 0.457 1.00 0.88 H new ATOM 0 HG3 GLU A 406 101.919 17.247 -0.081 1.00 0.88 H new ATOM 1431 N ALA A 407 98.950 17.247 -3.728 1.00 1.02 N ATOM 1432 CA ALA A 407 98.155 17.423 -4.978 1.00 1.17 C ATOM 1433 C ALA A 407 96.676 17.169 -4.689 1.00 1.32 C ATOM 1434 O ALA A 407 95.819 17.958 -5.034 1.00 1.53 O ATOM 1435 CB ALA A 407 98.701 16.374 -5.948 1.00 1.12 C ATOM 0 H ALA A 407 99.594 16.456 -3.728 1.00 1.02 H new ATOM 0 HA ALA A 407 98.236 18.431 -5.386 1.00 1.17 H new ATOM 0 HB1 ALA A 407 98.165 16.440 -6.895 1.00 1.12 H new ATOM 0 HB2 ALA A 407 99.762 16.554 -6.119 1.00 1.12 H new ATOM 0 HB3 ALA A 407 98.565 15.380 -5.523 1.00 1.12 H new ATOM 1441 N ASN A 408 96.395 16.155 -3.921 1.00 1.23 N ATOM 1442 CA ASN A 408 95.004 15.938 -3.446 1.00 1.37 C ATOM 1443 C ASN A 408 94.619 17.060 -2.487 1.00 1.44 C ATOM 1444 O ASN A 408 93.457 17.343 -2.269 1.00 1.60 O ATOM 1445 CB ASN A 408 95.057 14.597 -2.721 1.00 1.27 C ATOM 1446 CG ASN A 408 95.243 13.473 -3.742 1.00 1.88 C ATOM 1447 OD1 ASN A 408 95.024 13.666 -4.921 1.00 2.75 O ATOM 1448 ND2 ASN A 408 95.641 12.299 -3.336 1.00 2.02 N ATOM 0 H ASN A 408 97.074 15.464 -3.601 1.00 1.23 H new ATOM 0 HA ASN A 408 94.268 15.935 -4.250 1.00 1.37 H new ATOM 0 HB2 ASN A 408 95.878 14.591 -2.004 1.00 1.27 H new ATOM 0 HB3 ASN A 408 94.139 14.441 -2.155 1.00 1.27 H new ATOM 0 HD21 ASN A 408 95.768 11.543 -4.009 1.00 2.02 H new ATOM 0 HD22 ASN A 408 95.825 12.137 -2.346 1.00 2.02 H new ATOM 1455 N GLY A 409 95.595 17.642 -1.851 1.00 1.37 N ATOM 1456 CA GLY A 409 95.314 18.680 -0.830 1.00 1.51 C ATOM 1457 C GLY A 409 95.316 18.036 0.557 1.00 1.69 C ATOM 1458 O GLY A 409 94.719 18.538 1.489 1.00 2.28 O ATOM 0 H GLY A 409 96.584 17.439 -1.998 1.00 1.37 H new ATOM 0 HA2 GLY A 409 96.066 19.468 -0.879 1.00 1.51 H new ATOM 0 HA3 GLY A 409 94.349 19.147 -1.026 1.00 1.51 H new ATOM 1462 N GLY A 410 96.008 16.939 0.703 1.00 1.39 N ATOM 1463 CA GLY A 410 96.083 16.270 2.034 1.00 1.72 C ATOM 1464 C GLY A 410 97.317 16.770 2.787 1.00 1.26 C ATOM 1465 O GLY A 410 97.990 17.684 2.356 1.00 1.69 O ATOM 0 H GLY A 410 96.526 16.476 -0.044 1.00 1.39 H new ATOM 0 HA2 GLY A 410 95.182 16.481 2.610 1.00 1.72 H new ATOM 0 HA3 GLY A 410 96.135 15.189 1.907 1.00 1.72 H new ATOM 1469 N HIS A 411 97.645 16.148 3.887 1.00 0.88 N ATOM 1470 CA HIS A 411 98.867 16.559 4.637 1.00 1.32 C ATOM 1471 C HIS A 411 99.601 15.327 5.174 1.00 1.27 C ATOM 1472 O HIS A 411 98.997 14.323 5.496 1.00 1.52 O ATOM 1473 CB HIS A 411 98.357 17.423 5.789 1.00 1.83 C ATOM 1474 CG HIS A 411 99.526 17.978 6.556 1.00 2.66 C ATOM 1475 ND1 HIS A 411 100.408 18.891 6.001 1.00 3.39 N ATOM 1476 CD2 HIS A 411 99.971 17.757 7.836 1.00 3.34 C ATOM 1477 CE1 HIS A 411 101.330 19.184 6.936 1.00 4.16 C ATOM 1478 NE2 HIS A 411 101.110 18.520 8.074 1.00 4.13 N ATOM 0 H HIS A 411 97.121 15.375 4.298 1.00 0.88 H new ATOM 0 HA HIS A 411 99.573 17.098 4.006 1.00 1.32 H new ATOM 0 HB2 HIS A 411 97.743 18.236 5.403 1.00 1.83 H new ATOM 0 HB3 HIS A 411 97.724 16.831 6.449 1.00 1.83 H new ATOM 0 HD2 HIS A 411 99.507 17.092 8.550 1.00 3.34 H new ATOM 0 HE1 HIS A 411 102.148 19.872 6.785 1.00 4.16 H new ATOM 0 HE2 HIS A 411 101.659 18.563 8.933 1.00 4.13 H new ATOM 1486 N PHE A 412 100.898 15.404 5.288 1.00 1.04 N ATOM 1487 CA PHE A 412 101.673 14.246 5.822 1.00 1.06 C ATOM 1488 C PHE A 412 101.848 14.385 7.340 1.00 1.03 C ATOM 1489 O PHE A 412 102.534 15.273 7.806 1.00 1.05 O ATOM 1490 CB PHE A 412 103.026 14.325 5.113 1.00 1.03 C ATOM 1491 CG PHE A 412 103.597 12.937 4.953 1.00 1.36 C ATOM 1492 CD1 PHE A 412 103.997 12.209 6.081 1.00 1.73 C ATOM 1493 CD2 PHE A 412 103.731 12.379 3.674 1.00 1.90 C ATOM 1494 CE1 PHE A 412 104.530 10.921 5.931 1.00 2.70 C ATOM 1495 CE2 PHE A 412 104.264 11.091 3.523 1.00 2.91 C ATOM 1496 CZ PHE A 412 104.664 10.362 4.652 1.00 3.31 C ATOM 0 H PHE A 412 101.456 16.219 5.035 1.00 1.04 H new ATOM 0 HA PHE A 412 101.175 13.292 5.648 1.00 1.06 H new ATOM 0 HB2 PHE A 412 102.909 14.796 4.137 1.00 1.03 H new ATOM 0 HB3 PHE A 412 103.713 14.947 5.687 1.00 1.03 H new ATOM 0 HD1 PHE A 412 103.895 12.640 7.066 1.00 1.73 H new ATOM 0 HD2 PHE A 412 103.424 12.941 2.805 1.00 1.90 H new ATOM 0 HE1 PHE A 412 104.837 10.359 6.801 1.00 2.70 H new ATOM 0 HE2 PHE A 412 104.366 10.661 2.538 1.00 2.91 H new ATOM 0 HZ PHE A 412 105.075 9.370 4.537 1.00 3.31 H new ATOM 1506 N PRO A 413 101.166 13.535 8.062 1.00 1.03 N ATOM 1507 CA PRO A 413 101.184 13.602 9.547 1.00 1.06 C ATOM 1508 C PRO A 413 102.608 13.420 10.085 1.00 0.96 C ATOM 1509 O PRO A 413 103.378 12.627 9.580 1.00 0.88 O ATOM 1510 CB PRO A 413 100.292 12.439 9.985 1.00 1.16 C ATOM 1511 CG PRO A 413 99.511 12.045 8.770 1.00 1.23 C ATOM 1512 CD PRO A 413 100.322 12.445 7.568 1.00 1.05 C ATOM 0 HA PRO A 413 100.837 14.564 9.924 1.00 1.06 H new ATOM 0 HB2 PRO A 413 100.889 11.605 10.353 1.00 1.16 H new ATOM 0 HB3 PRO A 413 99.629 12.739 10.796 1.00 1.16 H new ATOM 0 HG2 PRO A 413 99.322 10.972 8.766 1.00 1.23 H new ATOM 0 HG3 PRO A 413 98.540 12.540 8.760 1.00 1.23 H new ATOM 0 HD2 PRO A 413 100.920 11.614 7.195 1.00 1.05 H new ATOM 0 HD3 PRO A 413 99.685 12.773 6.747 1.00 1.05 H new ATOM 1520 N THR A 414 102.957 14.143 11.116 1.00 1.01 N ATOM 1521 CA THR A 414 104.323 14.008 11.702 1.00 0.97 C ATOM 1522 C THR A 414 104.567 12.572 12.165 1.00 0.92 C ATOM 1523 O THR A 414 105.629 12.025 11.972 1.00 0.84 O ATOM 1524 CB THR A 414 104.338 14.969 12.895 1.00 1.09 C ATOM 1525 OG1 THR A 414 105.681 15.200 13.296 1.00 1.63 O ATOM 1526 CG2 THR A 414 103.553 14.362 14.061 1.00 1.75 C ATOM 0 H THR A 414 102.354 14.823 11.579 1.00 1.01 H new ATOM 0 HA THR A 414 105.105 14.241 10.979 1.00 0.97 H new ATOM 0 HB THR A 414 103.875 15.912 12.605 1.00 1.09 H new ATOM 0 HG1 THR A 414 105.693 15.816 14.058 1.00 1.63 H new ATOM 0 HG21 THR A 414 103.567 15.050 14.906 1.00 1.75 H new ATOM 0 HG22 THR A 414 102.522 14.186 13.753 1.00 1.75 H new ATOM 0 HG23 THR A 414 104.010 13.417 14.354 1.00 1.75 H new ATOM 1534 N ASP A 415 103.609 11.969 12.809 1.00 0.99 N ATOM 1535 CA ASP A 415 103.824 10.586 13.316 1.00 0.97 C ATOM 1536 C ASP A 415 104.273 9.673 12.174 1.00 0.83 C ATOM 1537 O ASP A 415 105.143 8.844 12.336 1.00 0.84 O ATOM 1538 CB ASP A 415 102.463 10.143 13.852 1.00 1.08 C ATOM 1539 CG ASP A 415 102.625 8.845 14.645 1.00 1.27 C ATOM 1540 OD1 ASP A 415 103.754 8.420 14.824 1.00 1.87 O ATOM 1541 OD2 ASP A 415 101.616 8.298 15.059 1.00 1.80 O ATOM 0 H ASP A 415 102.692 12.370 13.006 1.00 0.99 H new ATOM 0 HA ASP A 415 104.597 10.542 14.084 1.00 0.97 H new ATOM 0 HB2 ASP A 415 102.040 10.920 14.489 1.00 1.08 H new ATOM 0 HB3 ASP A 415 101.767 9.993 13.027 1.00 1.08 H new ATOM 1546 N VAL A 416 103.696 9.823 11.015 1.00 0.71 N ATOM 1547 CA VAL A 416 104.100 8.966 9.865 1.00 0.60 C ATOM 1548 C VAL A 416 105.506 9.336 9.385 1.00 0.51 C ATOM 1549 O VAL A 416 106.330 8.481 9.137 1.00 0.46 O ATOM 1550 CB VAL A 416 103.064 9.259 8.784 1.00 0.58 C ATOM 1551 CG1 VAL A 416 103.476 8.582 7.475 1.00 0.51 C ATOM 1552 CG2 VAL A 416 101.702 8.720 9.226 1.00 0.71 C ATOM 0 H VAL A 416 102.962 10.502 10.814 1.00 0.71 H new ATOM 0 HA VAL A 416 104.133 7.909 10.127 1.00 0.60 H new ATOM 0 HB VAL A 416 103.001 10.336 8.629 1.00 0.58 H new ATOM 0 HG11 VAL A 416 102.733 8.794 6.706 1.00 0.51 H new ATOM 0 HG12 VAL A 416 104.446 8.964 7.157 1.00 0.51 H new ATOM 0 HG13 VAL A 416 103.543 7.505 7.628 1.00 0.51 H new ATOM 0 HG21 VAL A 416 100.960 8.929 8.455 1.00 0.71 H new ATOM 0 HG22 VAL A 416 101.770 7.643 9.382 1.00 0.71 H new ATOM 0 HG23 VAL A 416 101.404 9.204 10.156 1.00 0.71 H new ATOM 1562 N ASP A 417 105.819 10.599 9.350 1.00 0.53 N ATOM 1563 CA ASP A 417 107.209 11.012 8.999 1.00 0.53 C ATOM 1564 C ASP A 417 108.203 10.442 10.014 1.00 0.58 C ATOM 1565 O ASP A 417 109.262 9.962 9.663 1.00 0.60 O ATOM 1566 CB ASP A 417 107.190 12.538 9.058 1.00 0.61 C ATOM 1567 CG ASP A 417 106.500 13.091 7.811 1.00 1.03 C ATOM 1568 OD1 ASP A 417 106.453 12.379 6.821 1.00 1.81 O ATOM 1569 OD2 ASP A 417 106.032 14.216 7.866 1.00 1.15 O ATOM 0 H ASP A 417 105.175 11.365 9.549 1.00 0.53 H new ATOM 0 HA ASP A 417 107.517 10.646 8.020 1.00 0.53 H new ATOM 0 HB2 ASP A 417 106.666 12.871 9.954 1.00 0.61 H new ATOM 0 HB3 ASP A 417 108.208 12.922 9.123 1.00 0.61 H new ATOM 1574 N GLN A 418 107.837 10.426 11.261 1.00 0.62 N ATOM 1575 CA GLN A 418 108.718 9.820 12.296 1.00 0.68 C ATOM 1576 C GLN A 418 108.869 8.312 12.067 1.00 0.69 C ATOM 1577 O GLN A 418 109.950 7.773 12.169 1.00 0.81 O ATOM 1578 CB GLN A 418 108.007 10.114 13.618 1.00 0.73 C ATOM 1579 CG GLN A 418 108.093 11.611 13.922 1.00 1.31 C ATOM 1580 CD GLN A 418 107.349 11.910 15.225 1.00 1.86 C ATOM 1581 OE1 GLN A 418 106.569 11.104 15.692 1.00 1.96 O ATOM 1582 NE2 GLN A 418 107.559 13.044 15.836 1.00 2.60 N ATOM 0 H GLN A 418 106.959 10.809 11.612 1.00 0.62 H new ATOM 0 HA GLN A 418 109.729 10.226 12.276 1.00 0.68 H new ATOM 0 HB2 GLN A 418 106.964 9.803 13.559 1.00 0.73 H new ATOM 0 HB3 GLN A 418 108.465 9.541 14.425 1.00 0.73 H new ATOM 0 HG2 GLN A 418 109.136 11.916 14.008 1.00 1.31 H new ATOM 0 HG3 GLN A 418 107.659 12.185 13.103 1.00 1.31 H new ATOM 0 HE21 GLN A 418 108.214 13.721 15.444 1.00 2.60 H new ATOM 0 HE22 GLN A 418 107.068 13.253 16.705 1.00 2.60 H new ATOM 1591 N LYS A 419 107.811 7.625 11.738 1.00 0.61 N ATOM 1592 CA LYS A 419 107.935 6.159 11.488 1.00 0.63 C ATOM 1593 C LYS A 419 108.842 5.888 10.281 1.00 0.62 C ATOM 1594 O LYS A 419 109.636 4.974 10.288 1.00 0.71 O ATOM 1595 CB LYS A 419 106.510 5.681 11.207 1.00 0.57 C ATOM 1596 CG LYS A 419 105.671 5.802 12.480 1.00 0.81 C ATOM 1597 CD LYS A 419 104.271 5.239 12.226 1.00 0.93 C ATOM 1598 CE LYS A 419 103.397 5.468 13.461 1.00 1.33 C ATOM 1599 NZ LYS A 419 103.781 4.385 14.409 1.00 2.49 N ATOM 0 H LYS A 419 106.872 8.010 11.632 1.00 0.61 H new ATOM 0 HA LYS A 419 108.382 5.639 12.335 1.00 0.63 H new ATOM 0 HB2 LYS A 419 106.066 6.276 10.408 1.00 0.57 H new ATOM 0 HB3 LYS A 419 106.523 4.646 10.864 1.00 0.57 H new ATOM 0 HG2 LYS A 419 106.149 5.260 13.296 1.00 0.81 H new ATOM 0 HG3 LYS A 419 105.604 6.846 12.786 1.00 0.81 H new ATOM 0 HD2 LYS A 419 103.825 5.723 11.357 1.00 0.93 H new ATOM 0 HD3 LYS A 419 104.331 4.174 12.002 1.00 0.93 H new ATOM 0 HE2 LYS A 419 103.574 6.453 13.893 1.00 1.33 H new ATOM 0 HE3 LYS A 419 102.338 5.416 13.210 1.00 1.33 H new ATOM 0 HZ1 LYS A 419 102.987 3.723 14.520 1.00 2.49 H new ATOM 0 HZ2 LYS A 419 104.607 3.875 14.037 1.00 2.49 H new ATOM 0 HZ3 LYS A 419 104.017 4.800 15.333 1.00 2.49 H new ATOM 1613 N VAL A 420 108.744 6.687 9.256 1.00 0.56 N ATOM 1614 CA VAL A 420 109.606 6.484 8.052 1.00 0.62 C ATOM 1615 C VAL A 420 111.073 6.734 8.398 1.00 0.71 C ATOM 1616 O VAL A 420 111.963 6.047 7.940 1.00 0.79 O ATOM 1617 CB VAL A 420 109.116 7.527 7.049 1.00 0.60 C ATOM 1618 CG1 VAL A 420 110.028 7.529 5.824 1.00 0.70 C ATOM 1619 CG2 VAL A 420 107.686 7.195 6.619 1.00 0.59 C ATOM 0 H VAL A 420 108.101 7.477 9.197 1.00 0.56 H new ATOM 0 HA VAL A 420 109.541 5.468 7.663 1.00 0.62 H new ATOM 0 HB VAL A 420 109.135 8.511 7.517 1.00 0.60 H new ATOM 0 HG11 VAL A 420 109.677 8.274 5.110 1.00 0.70 H new ATOM 0 HG12 VAL A 420 111.046 7.771 6.129 1.00 0.70 H new ATOM 0 HG13 VAL A 420 110.013 6.544 5.358 1.00 0.70 H new ATOM 0 HG21 VAL A 420 107.339 7.940 5.904 1.00 0.59 H new ATOM 0 HG22 VAL A 420 107.665 6.209 6.155 1.00 0.59 H new ATOM 0 HG23 VAL A 420 107.033 7.199 7.492 1.00 0.59 H new ATOM 1629 N ASP A 421 111.323 7.728 9.192 1.00 0.72 N ATOM 1630 CA ASP A 421 112.724 8.061 9.571 1.00 0.84 C ATOM 1631 C ASP A 421 113.317 6.965 10.457 1.00 0.91 C ATOM 1632 O ASP A 421 114.431 6.524 10.256 1.00 1.00 O ATOM 1633 CB ASP A 421 112.603 9.373 10.340 1.00 0.88 C ATOM 1634 CG ASP A 421 112.295 10.511 9.365 1.00 1.14 C ATOM 1635 OD1 ASP A 421 112.353 10.273 8.170 1.00 1.25 O ATOM 1636 OD2 ASP A 421 112.007 11.601 9.831 1.00 2.05 O ATOM 0 H ASP A 421 110.612 8.333 9.602 1.00 0.72 H new ATOM 0 HA ASP A 421 113.383 8.145 8.707 1.00 0.84 H new ATOM 0 HB2 ASP A 421 111.813 9.297 11.087 1.00 0.88 H new ATOM 0 HB3 ASP A 421 113.530 9.580 10.875 1.00 0.88 H new ATOM 1641 N GLN A 422 112.564 6.491 11.408 1.00 0.89 N ATOM 1642 CA GLN A 422 113.061 5.387 12.274 1.00 0.98 C ATOM 1643 C GLN A 422 113.226 4.114 11.445 1.00 0.98 C ATOM 1644 O GLN A 422 114.166 3.367 11.616 1.00 1.07 O ATOM 1645 CB GLN A 422 111.985 5.211 13.346 1.00 0.99 C ATOM 1646 CG GLN A 422 111.830 6.516 14.134 1.00 1.32 C ATOM 1647 CD GLN A 422 110.751 6.340 15.204 1.00 1.77 C ATOM 1648 OE1 GLN A 422 109.968 5.413 15.147 1.00 2.33 O ATOM 1649 NE2 GLN A 422 110.676 7.197 16.185 1.00 2.33 N ATOM 0 H GLN A 422 111.623 6.821 11.624 1.00 0.89 H new ATOM 0 HA GLN A 422 114.033 5.603 12.717 1.00 0.98 H new ATOM 0 HB2 GLN A 422 111.037 4.939 12.883 1.00 0.99 H new ATOM 0 HB3 GLN A 422 112.257 4.398 14.019 1.00 0.99 H new ATOM 0 HG2 GLN A 422 112.778 6.787 14.599 1.00 1.32 H new ATOM 0 HG3 GLN A 422 111.561 7.330 13.461 1.00 1.32 H new ATOM 0 HE21 GLN A 422 111.333 7.976 16.233 1.00 2.33 H new ATOM 0 HE22 GLN A 422 109.960 7.088 16.903 1.00 2.33 H new ATOM 1658 N VAL A 423 112.414 3.950 10.444 1.00 0.91 N ATOM 1659 CA VAL A 423 112.633 2.835 9.490 1.00 0.94 C ATOM 1660 C VAL A 423 113.996 3.000 8.814 1.00 0.96 C ATOM 1661 O VAL A 423 114.730 2.050 8.626 1.00 1.00 O ATOM 1662 CB VAL A 423 111.509 2.991 8.475 1.00 0.92 C ATOM 1663 CG1 VAL A 423 111.700 1.998 7.331 1.00 0.95 C ATOM 1664 CG2 VAL A 423 110.164 2.740 9.155 1.00 0.99 C ATOM 0 H VAL A 423 111.607 4.541 10.245 1.00 0.91 H new ATOM 0 HA VAL A 423 112.628 1.854 9.965 1.00 0.94 H new ATOM 0 HB VAL A 423 111.528 4.005 8.074 1.00 0.92 H new ATOM 0 HG11 VAL A 423 110.892 2.115 6.609 1.00 0.95 H new ATOM 0 HG12 VAL A 423 112.655 2.187 6.841 1.00 0.95 H new ATOM 0 HG13 VAL A 423 111.689 0.982 7.726 1.00 0.95 H new ATOM 0 HG21 VAL A 423 109.361 2.852 8.426 1.00 0.99 H new ATOM 0 HG22 VAL A 423 110.145 1.729 9.563 1.00 0.99 H new ATOM 0 HG23 VAL A 423 110.025 3.459 9.962 1.00 0.99 H new ATOM 1674 N ALA A 424 114.336 4.206 8.446 1.00 0.98 N ATOM 1675 CA ALA A 424 115.646 4.446 7.778 1.00 1.07 C ATOM 1676 C ALA A 424 116.793 4.330 8.784 1.00 1.17 C ATOM 1677 O ALA A 424 117.759 3.628 8.559 1.00 1.24 O ATOM 1678 CB ALA A 424 115.556 5.874 7.246 1.00 1.09 C ATOM 0 H ALA A 424 113.760 5.037 8.580 1.00 0.98 H new ATOM 0 HA ALA A 424 115.842 3.719 6.990 1.00 1.07 H new ATOM 0 HB1 ALA A 424 116.485 6.132 6.737 1.00 1.09 H new ATOM 0 HB2 ALA A 424 114.725 5.949 6.545 1.00 1.09 H new ATOM 0 HB3 ALA A 424 115.394 6.562 8.076 1.00 1.09 H new ATOM 1684 N ARG A 425 116.725 5.059 9.867 1.00 1.23 N ATOM 1685 CA ARG A 425 117.847 5.033 10.847 1.00 1.39 C ATOM 1686 C ARG A 425 118.120 3.593 11.283 1.00 1.38 C ATOM 1687 O ARG A 425 119.184 3.270 11.774 1.00 1.53 O ATOM 1688 CB ARG A 425 117.377 5.886 12.032 1.00 1.57 C ATOM 1689 CG ARG A 425 116.414 5.086 12.913 1.00 2.17 C ATOM 1690 CD ARG A 425 115.900 5.977 14.046 1.00 2.43 C ATOM 1691 NE ARG A 425 115.096 5.071 14.914 1.00 2.68 N ATOM 1692 CZ ARG A 425 114.520 5.533 15.992 1.00 3.44 C ATOM 1693 NH1 ARG A 425 114.646 6.792 16.318 1.00 4.11 N ATOM 1694 NH2 ARG A 425 113.818 4.734 16.747 1.00 3.73 N ATOM 0 H ARG A 425 115.945 5.668 10.113 1.00 1.23 H new ATOM 0 HA ARG A 425 118.775 5.421 10.426 1.00 1.39 H new ATOM 0 HB2 ARG A 425 118.236 6.209 12.620 1.00 1.57 H new ATOM 0 HB3 ARG A 425 116.884 6.787 11.667 1.00 1.57 H new ATOM 0 HG2 ARG A 425 115.578 4.719 12.317 1.00 2.17 H new ATOM 0 HG3 ARG A 425 116.920 4.213 13.324 1.00 2.17 H new ATOM 0 HD2 ARG A 425 116.724 6.426 14.600 1.00 2.43 H new ATOM 0 HD3 ARG A 425 115.293 6.796 13.660 1.00 2.43 H new ATOM 0 HE ARG A 425 114.995 4.087 14.666 1.00 2.68 H new ATOM 0 HH11 ARG A 425 115.196 7.419 15.730 1.00 4.11 H new ATOM 0 HH12 ARG A 425 114.195 7.148 17.160 1.00 4.11 H new ATOM 0 HH21 ARG A 425 113.719 3.750 16.496 1.00 3.73 H new ATOM 0 HH22 ARG A 425 113.368 5.093 17.589 1.00 3.73 H new ATOM 1708 N GLN A 426 117.164 2.726 11.101 1.00 1.26 N ATOM 1709 CA GLN A 426 117.366 1.300 11.499 1.00 1.33 C ATOM 1710 C GLN A 426 117.919 0.483 10.327 1.00 1.26 C ATOM 1711 O GLN A 426 118.143 -0.706 10.440 1.00 1.33 O ATOM 1712 CB GLN A 426 115.982 0.801 11.907 1.00 1.34 C ATOM 1713 CG GLN A 426 115.496 1.604 13.113 1.00 1.95 C ATOM 1714 CD GLN A 426 116.300 1.202 14.351 1.00 2.42 C ATOM 1715 OE1 GLN A 426 116.466 0.031 14.628 1.00 2.68 O ATOM 1716 NE2 GLN A 426 116.809 2.131 15.113 1.00 2.92 N ATOM 0 H GLN A 426 116.253 2.940 10.695 1.00 1.26 H new ATOM 0 HA GLN A 426 118.088 1.200 12.309 1.00 1.33 H new ATOM 0 HB2 GLN A 426 115.284 0.909 11.077 1.00 1.34 H new ATOM 0 HB3 GLN A 426 116.022 -0.260 12.153 1.00 1.34 H new ATOM 0 HG2 GLN A 426 115.610 2.671 12.923 1.00 1.95 H new ATOM 0 HG3 GLN A 426 114.434 1.422 13.281 1.00 1.95 H new ATOM 0 HE21 GLN A 426 116.670 3.114 14.881 1.00 2.92 H new ATOM 0 HE22 GLN A 426 117.346 1.874 15.941 1.00 2.92 H new ATOM 1725 N GLY A 427 118.229 1.126 9.237 1.00 1.16 N ATOM 1726 CA GLY A 427 118.871 0.399 8.102 1.00 1.14 C ATOM 1727 C GLY A 427 117.796 -0.146 7.159 1.00 1.07 C ATOM 1728 O GLY A 427 118.084 -0.874 6.230 1.00 1.11 O ATOM 0 H GLY A 427 118.067 2.121 9.081 1.00 1.16 H new ATOM 0 HA2 GLY A 427 119.537 1.070 7.559 1.00 1.14 H new ATOM 0 HA3 GLY A 427 119.483 -0.419 8.482 1.00 1.14 H new ATOM 1732 N ALA A 428 116.569 0.239 7.361 1.00 1.07 N ATOM 1733 CA ALA A 428 115.482 -0.210 6.444 1.00 1.00 C ATOM 1734 C ALA A 428 115.108 0.921 5.488 1.00 0.94 C ATOM 1735 O ALA A 428 115.197 2.083 5.829 1.00 0.97 O ATOM 1736 CB ALA A 428 114.305 -0.546 7.361 1.00 1.04 C ATOM 0 H ALA A 428 116.269 0.847 8.123 1.00 1.07 H new ATOM 0 HA ALA A 428 115.778 -1.063 5.833 1.00 1.00 H new ATOM 0 HB1 ALA A 428 113.461 -0.886 6.760 1.00 1.04 H new ATOM 0 HB2 ALA A 428 114.598 -1.334 8.054 1.00 1.04 H new ATOM 0 HB3 ALA A 428 114.016 0.342 7.923 1.00 1.04 H new ATOM 1742 N THR A 429 114.587 0.591 4.340 1.00 0.92 N ATOM 1743 CA THR A 429 114.086 1.653 3.424 1.00 0.88 C ATOM 1744 C THR A 429 112.598 1.867 3.675 1.00 0.65 C ATOM 1745 O THR A 429 111.793 1.005 3.385 1.00 0.62 O ATOM 1746 CB THR A 429 114.309 1.118 2.007 1.00 1.00 C ATOM 1747 OG1 THR A 429 115.685 1.231 1.671 1.00 1.21 O ATOM 1748 CG2 THR A 429 113.468 1.928 1.011 1.00 1.00 C ATOM 0 H THR A 429 114.486 -0.364 3.997 1.00 0.92 H new ATOM 0 HA THR A 429 114.596 2.605 3.574 1.00 0.88 H new ATOM 0 HB THR A 429 114.008 0.071 1.963 1.00 1.00 H new ATOM 0 HG1 THR A 429 115.830 0.887 0.765 1.00 1.21 H new ATOM 0 HG21 THR A 429 113.629 1.545 0.003 1.00 1.00 H new ATOM 0 HG22 THR A 429 112.413 1.839 1.269 1.00 1.00 H new ATOM 0 HG23 THR A 429 113.764 2.976 1.052 1.00 1.00 H new ATOM 1756 N PRO A 430 112.285 2.988 4.255 1.00 0.70 N ATOM 1757 CA PRO A 430 110.884 3.297 4.597 1.00 0.55 C ATOM 1758 C PRO A 430 110.122 3.744 3.351 1.00 0.54 C ATOM 1759 O PRO A 430 110.191 4.891 2.957 1.00 0.68 O ATOM 1760 CB PRO A 430 110.990 4.449 5.601 1.00 0.81 C ATOM 1761 CG PRO A 430 112.459 4.700 5.805 1.00 1.20 C ATOM 1762 CD PRO A 430 113.185 4.064 4.655 1.00 1.04 C ATOM 0 HA PRO A 430 110.349 2.438 5.001 1.00 0.55 H new ATOM 0 HB2 PRO A 430 110.492 5.342 5.222 1.00 0.81 H new ATOM 0 HB3 PRO A 430 110.506 4.190 6.542 1.00 0.81 H new ATOM 0 HG2 PRO A 430 112.664 5.770 5.844 1.00 1.20 H new ATOM 0 HG3 PRO A 430 112.793 4.276 6.752 1.00 1.20 H new ATOM 0 HD2 PRO A 430 113.354 4.772 3.843 1.00 1.04 H new ATOM 0 HD3 PRO A 430 114.161 3.683 4.955 1.00 1.04 H new ATOM 1770 N LEU A 431 109.197 2.943 2.909 1.00 0.47 N ATOM 1771 CA LEU A 431 108.217 3.445 1.914 1.00 0.56 C ATOM 1772 C LEU A 431 107.024 4.025 2.665 1.00 0.54 C ATOM 1773 O LEU A 431 106.778 3.680 3.798 1.00 0.59 O ATOM 1774 CB LEU A 431 107.782 2.228 1.098 1.00 0.59 C ATOM 1775 CG LEU A 431 108.972 1.657 0.333 1.00 0.59 C ATOM 1776 CD1 LEU A 431 108.494 0.496 -0.541 1.00 1.14 C ATOM 1777 CD2 LEU A 431 109.572 2.746 -0.559 1.00 1.40 C ATOM 0 H LEU A 431 109.078 1.970 3.191 1.00 0.47 H new ATOM 0 HA LEU A 431 108.634 4.218 1.269 1.00 0.56 H new ATOM 0 HB2 LEU A 431 107.366 1.467 1.759 1.00 0.59 H new ATOM 0 HB3 LEU A 431 106.993 2.511 0.401 1.00 0.59 H new ATOM 0 HG LEU A 431 109.727 1.305 1.036 1.00 0.59 H new ATOM 0 HD11 LEU A 431 109.339 0.083 -1.091 1.00 1.14 H new ATOM 0 HD12 LEU A 431 108.058 -0.279 0.090 1.00 1.14 H new ATOM 0 HD13 LEU A 431 107.744 0.856 -1.245 1.00 1.14 H new ATOM 0 HD21 LEU A 431 110.423 2.340 -1.107 1.00 1.40 H new ATOM 0 HD22 LEU A 431 108.818 3.094 -1.265 1.00 1.40 H new ATOM 0 HD23 LEU A 431 109.903 3.581 0.059 1.00 1.40 H new ATOM 1789 N VAL A 432 106.244 4.849 2.041 1.00 0.49 N ATOM 1790 CA VAL A 432 105.036 5.365 2.739 1.00 0.48 C ATOM 1791 C VAL A 432 103.781 5.060 1.921 1.00 0.48 C ATOM 1792 O VAL A 432 103.771 5.172 0.711 1.00 0.52 O ATOM 1793 CB VAL A 432 105.254 6.869 2.867 1.00 0.43 C ATOM 1794 CG1 VAL A 432 104.051 7.503 3.568 1.00 0.45 C ATOM 1795 CG2 VAL A 432 106.517 7.131 3.690 1.00 0.51 C ATOM 0 H VAL A 432 106.383 5.187 1.089 1.00 0.49 H new ATOM 0 HA VAL A 432 104.894 4.899 3.714 1.00 0.48 H new ATOM 0 HB VAL A 432 105.367 7.305 1.874 1.00 0.43 H new ATOM 0 HG11 VAL A 432 104.208 8.578 3.659 1.00 0.45 H new ATOM 0 HG12 VAL A 432 103.150 7.316 2.984 1.00 0.45 H new ATOM 0 HG13 VAL A 432 103.937 7.068 4.561 1.00 0.45 H new ATOM 0 HG21 VAL A 432 106.675 8.206 3.783 1.00 0.51 H new ATOM 0 HG22 VAL A 432 106.402 6.694 4.682 1.00 0.51 H new ATOM 0 HG23 VAL A 432 107.376 6.680 3.192 1.00 0.51 H new ATOM 1805 N VAL A 433 102.732 4.650 2.580 1.00 0.44 N ATOM 1806 CA VAL A 433 101.472 4.307 1.864 1.00 0.45 C ATOM 1807 C VAL A 433 100.348 5.226 2.337 1.00 0.37 C ATOM 1808 O VAL A 433 100.159 5.425 3.523 1.00 0.37 O ATOM 1809 CB VAL A 433 101.172 2.863 2.261 1.00 0.56 C ATOM 1810 CG1 VAL A 433 100.013 2.331 1.416 1.00 0.59 C ATOM 1811 CG2 VAL A 433 102.413 1.999 2.029 1.00 1.08 C ATOM 0 H VAL A 433 102.694 4.537 3.593 1.00 0.44 H new ATOM 0 HA VAL A 433 101.561 4.423 0.784 1.00 0.45 H new ATOM 0 HB VAL A 433 100.898 2.827 3.316 1.00 0.56 H new ATOM 0 HG11 VAL A 433 99.799 1.300 1.699 1.00 0.59 H new ATOM 0 HG12 VAL A 433 99.128 2.945 1.584 1.00 0.59 H new ATOM 0 HG13 VAL A 433 100.285 2.368 0.361 1.00 0.59 H new ATOM 0 HG21 VAL A 433 102.197 0.969 2.313 1.00 1.08 H new ATOM 0 HG22 VAL A 433 102.689 2.035 0.975 1.00 1.08 H new ATOM 0 HG23 VAL A 433 103.238 2.377 2.633 1.00 1.08 H new ATOM 1821 N VAL A 434 99.554 5.720 1.430 1.00 0.43 N ATOM 1822 CA VAL A 434 98.392 6.550 1.847 1.00 0.43 C ATOM 1823 C VAL A 434 97.118 6.082 1.153 1.00 0.48 C ATOM 1824 O VAL A 434 97.140 5.606 0.036 1.00 0.90 O ATOM 1825 CB VAL A 434 98.727 7.983 1.425 1.00 0.53 C ATOM 1826 CG1 VAL A 434 100.184 8.293 1.765 1.00 0.70 C ATOM 1827 CG2 VAL A 434 98.505 8.152 -0.081 1.00 0.49 C ATOM 0 H VAL A 434 99.658 5.586 0.424 1.00 0.43 H new ATOM 0 HA VAL A 434 98.218 6.475 2.920 1.00 0.43 H new ATOM 0 HB VAL A 434 98.075 8.672 1.962 1.00 0.53 H new ATOM 0 HG11 VAL A 434 100.419 9.314 1.463 1.00 0.70 H new ATOM 0 HG12 VAL A 434 100.337 8.188 2.839 1.00 0.70 H new ATOM 0 HG13 VAL A 434 100.837 7.599 1.236 1.00 0.70 H new ATOM 0 HG21 VAL A 434 98.746 9.175 -0.372 1.00 0.49 H new ATOM 0 HG22 VAL A 434 99.148 7.459 -0.624 1.00 0.49 H new ATOM 0 HG23 VAL A 434 97.463 7.943 -0.321 1.00 0.49 H new ATOM 1837 N GLU A 435 96.006 6.339 1.763 1.00 0.61 N ATOM 1838 CA GLU A 435 94.707 6.055 1.101 1.00 0.60 C ATOM 1839 C GLU A 435 94.152 7.349 0.522 1.00 0.62 C ATOM 1840 O GLU A 435 94.063 8.350 1.206 1.00 0.67 O ATOM 1841 CB GLU A 435 93.797 5.531 2.209 1.00 0.70 C ATOM 1842 CG GLU A 435 93.639 4.019 2.052 1.00 0.76 C ATOM 1843 CD GLU A 435 92.617 3.502 3.066 1.00 1.13 C ATOM 1844 OE1 GLU A 435 92.175 4.289 3.887 1.00 1.79 O ATOM 1845 OE2 GLU A 435 92.293 2.327 3.005 1.00 1.34 O ATOM 0 H GLU A 435 95.936 6.737 2.700 1.00 0.61 H new ATOM 0 HA GLU A 435 94.796 5.336 0.286 1.00 0.60 H new ATOM 0 HB2 GLU A 435 94.220 5.766 3.186 1.00 0.70 H new ATOM 0 HB3 GLU A 435 92.823 6.018 2.158 1.00 0.70 H new ATOM 0 HG2 GLU A 435 93.314 3.780 1.039 1.00 0.76 H new ATOM 0 HG3 GLU A 435 94.599 3.525 2.204 1.00 0.76 H new ATOM 1852 N GLY A 436 93.910 7.391 -0.751 1.00 0.61 N ATOM 1853 CA GLY A 436 93.523 8.688 -1.362 1.00 0.64 C ATOM 1854 C GLY A 436 94.628 9.710 -1.081 1.00 0.68 C ATOM 1855 O GLY A 436 95.700 9.651 -1.650 1.00 1.42 O ATOM 0 H GLY A 436 93.961 6.597 -1.390 1.00 0.61 H new ATOM 0 HA2 GLY A 436 93.379 8.572 -2.436 1.00 0.64 H new ATOM 0 HA3 GLY A 436 92.575 9.033 -0.949 1.00 0.64 H new ATOM 1859 N SER A 437 94.360 10.671 -0.239 1.00 0.84 N ATOM 1860 CA SER A 437 95.377 11.726 0.043 1.00 0.81 C ATOM 1861 C SER A 437 95.853 11.663 1.503 1.00 0.83 C ATOM 1862 O SER A 437 96.456 12.593 1.999 1.00 1.35 O ATOM 1863 CB SER A 437 94.652 13.043 -0.222 1.00 0.80 C ATOM 1864 OG SER A 437 93.873 13.388 0.917 1.00 1.42 O ATOM 0 H SER A 437 93.480 10.772 0.267 1.00 0.84 H new ATOM 0 HA SER A 437 96.267 11.605 -0.574 1.00 0.81 H new ATOM 0 HB2 SER A 437 95.373 13.832 -0.436 1.00 0.80 H new ATOM 0 HB3 SER A 437 94.012 12.949 -1.100 1.00 0.80 H new ATOM 0 HG SER A 437 93.407 14.234 0.751 1.00 1.42 H new ATOM 1870 N ARG A 438 95.559 10.602 2.211 1.00 0.53 N ATOM 1871 CA ARG A 438 95.972 10.538 3.644 1.00 0.62 C ATOM 1872 C ARG A 438 96.837 9.296 3.893 1.00 0.65 C ATOM 1873 O ARG A 438 96.611 8.247 3.323 1.00 0.69 O ATOM 1874 CB ARG A 438 94.662 10.455 4.427 1.00 0.78 C ATOM 1875 CG ARG A 438 94.108 9.034 4.346 1.00 1.34 C ATOM 1876 CD ARG A 438 92.645 9.034 4.780 1.00 1.53 C ATOM 1877 NE ARG A 438 92.262 7.596 4.849 1.00 2.25 N ATOM 1878 CZ ARG A 438 92.622 6.868 5.873 1.00 2.95 C ATOM 1879 NH1 ARG A 438 93.324 7.394 6.842 1.00 3.49 N ATOM 1880 NH2 ARG A 438 92.281 5.609 5.928 1.00 3.52 N ATOM 0 H ARG A 438 95.056 9.786 1.863 1.00 0.53 H new ATOM 0 HA ARG A 438 96.570 11.399 3.943 1.00 0.62 H new ATOM 0 HB2 ARG A 438 94.830 10.732 5.468 1.00 0.78 H new ATOM 0 HB3 ARG A 438 93.938 11.162 4.022 1.00 0.78 H new ATOM 0 HG2 ARG A 438 94.197 8.655 3.328 1.00 1.34 H new ATOM 0 HG3 ARG A 438 94.688 8.369 4.985 1.00 1.34 H new ATOM 0 HD2 ARG A 438 92.520 9.522 5.747 1.00 1.53 H new ATOM 0 HD3 ARG A 438 92.022 9.574 4.067 1.00 1.53 H new ATOM 0 HE ARG A 438 91.717 7.178 4.095 1.00 2.25 H new ATOM 0 HH11 ARG A 438 93.593 8.377 6.801 1.00 3.49 H new ATOM 0 HH12 ARG A 438 93.602 6.822 7.639 1.00 3.49 H new ATOM 0 HH21 ARG A 438 91.735 5.195 5.173 1.00 3.52 H new ATOM 0 HH22 ARG A 438 92.561 5.039 6.726 1.00 3.52 H new ATOM 1894 N VAL A 439 97.862 9.432 4.684 1.00 0.67 N ATOM 1895 CA VAL A 439 98.804 8.295 4.897 1.00 0.74 C ATOM 1896 C VAL A 439 98.228 7.283 5.889 1.00 0.93 C ATOM 1897 O VAL A 439 97.872 7.622 7.000 1.00 1.41 O ATOM 1898 CB VAL A 439 100.070 8.935 5.466 1.00 0.89 C ATOM 1899 CG1 VAL A 439 101.164 7.874 5.598 1.00 0.99 C ATOM 1900 CG2 VAL A 439 100.547 10.044 4.524 1.00 0.86 C ATOM 0 H VAL A 439 98.091 10.284 5.195 1.00 0.67 H new ATOM 0 HA VAL A 439 98.993 7.748 3.973 1.00 0.74 H new ATOM 0 HB VAL A 439 99.854 9.358 6.447 1.00 0.89 H new ATOM 0 HG11 VAL A 439 102.067 8.331 6.004 1.00 0.99 H new ATOM 0 HG12 VAL A 439 100.825 7.083 6.267 1.00 0.99 H new ATOM 0 HG13 VAL A 439 101.381 7.451 4.617 1.00 0.99 H new ATOM 0 HG21 VAL A 439 101.450 10.502 4.928 1.00 0.86 H new ATOM 0 HG22 VAL A 439 100.763 9.620 3.543 1.00 0.86 H new ATOM 0 HG23 VAL A 439 99.768 10.801 4.429 1.00 0.86 H new ATOM 1910 N LEU A 440 98.173 6.033 5.510 1.00 0.79 N ATOM 1911 CA LEU A 440 97.666 4.997 6.453 1.00 1.07 C ATOM 1912 C LEU A 440 98.819 4.409 7.273 1.00 0.74 C ATOM 1913 O LEU A 440 98.637 4.010 8.406 1.00 0.88 O ATOM 1914 CB LEU A 440 97.013 3.920 5.578 1.00 1.60 C ATOM 1915 CG LEU A 440 97.954 3.515 4.444 1.00 1.48 C ATOM 1916 CD1 LEU A 440 97.974 1.991 4.322 1.00 1.79 C ATOM 1917 CD2 LEU A 440 97.452 4.118 3.131 1.00 1.57 C ATOM 0 H LEU A 440 98.456 5.687 4.593 1.00 0.79 H new ATOM 0 HA LEU A 440 96.954 5.414 7.166 1.00 1.07 H new ATOM 0 HB2 LEU A 440 96.768 3.048 6.185 1.00 1.60 H new ATOM 0 HB3 LEU A 440 96.076 4.295 5.166 1.00 1.60 H new ATOM 0 HG LEU A 440 98.959 3.879 4.656 1.00 1.48 H new ATOM 0 HD11 LEU A 440 98.645 1.699 3.514 1.00 1.79 H new ATOM 0 HD12 LEU A 440 98.323 1.556 5.258 1.00 1.79 H new ATOM 0 HD13 LEU A 440 96.968 1.630 4.107 1.00 1.79 H new ATOM 0 HD21 LEU A 440 98.121 3.831 2.320 1.00 1.57 H new ATOM 0 HD22 LEU A 440 96.448 3.749 2.921 1.00 1.57 H new ATOM 0 HD23 LEU A 440 97.429 5.205 3.215 1.00 1.57 H new ATOM 1929 N GLY A 441 100.009 4.366 6.729 1.00 0.64 N ATOM 1930 CA GLY A 441 101.152 3.818 7.520 1.00 1.02 C ATOM 1931 C GLY A 441 102.444 3.842 6.699 1.00 0.82 C ATOM 1932 O GLY A 441 102.478 4.308 5.579 1.00 0.96 O ATOM 0 H GLY A 441 100.237 4.681 5.786 1.00 0.64 H new ATOM 0 HA2 GLY A 441 101.284 4.403 8.430 1.00 1.02 H new ATOM 0 HA3 GLY A 441 100.930 2.796 7.827 1.00 1.02 H new ATOM 1936 N VAL A 442 103.514 3.352 7.269 1.00 0.56 N ATOM 1937 CA VAL A 442 104.827 3.349 6.557 1.00 0.44 C ATOM 1938 C VAL A 442 105.371 1.916 6.475 1.00 0.41 C ATOM 1939 O VAL A 442 104.970 1.050 7.228 1.00 0.41 O ATOM 1940 CB VAL A 442 105.740 4.212 7.423 1.00 0.42 C ATOM 1941 CG1 VAL A 442 107.102 4.342 6.746 1.00 0.44 C ATOM 1942 CG2 VAL A 442 105.119 5.601 7.594 1.00 0.57 C ATOM 0 H VAL A 442 103.534 2.950 8.206 1.00 0.56 H new ATOM 0 HA VAL A 442 104.751 3.726 5.537 1.00 0.44 H new ATOM 0 HB VAL A 442 105.862 3.748 8.402 1.00 0.42 H new ATOM 0 HG11 VAL A 442 107.757 4.958 7.362 1.00 0.44 H new ATOM 0 HG12 VAL A 442 107.543 3.353 6.624 1.00 0.44 H new ATOM 0 HG13 VAL A 442 106.979 4.808 5.768 1.00 0.44 H new ATOM 0 HG21 VAL A 442 105.771 6.217 8.213 1.00 0.57 H new ATOM 0 HG22 VAL A 442 104.998 6.068 6.617 1.00 0.57 H new ATOM 0 HG23 VAL A 442 104.145 5.508 8.075 1.00 0.57 H new ATOM 1952 N ILE A 443 106.242 1.645 5.540 1.00 0.42 N ATOM 1953 CA ILE A 443 106.758 0.248 5.389 1.00 0.43 C ATOM 1954 C ILE A 443 108.282 0.213 5.505 1.00 0.44 C ATOM 1955 O ILE A 443 108.984 0.915 4.812 1.00 0.51 O ATOM 1956 CB ILE A 443 106.335 -0.195 3.989 1.00 0.47 C ATOM 1957 CG1 ILE A 443 104.861 0.150 3.756 1.00 0.51 C ATOM 1958 CG2 ILE A 443 106.529 -1.705 3.857 1.00 0.56 C ATOM 1959 CD1 ILE A 443 104.028 -0.305 4.955 1.00 1.05 C ATOM 0 H ILE A 443 106.618 2.323 4.877 1.00 0.42 H new ATOM 0 HA ILE A 443 106.363 -0.405 6.167 1.00 0.43 H new ATOM 0 HB ILE A 443 106.945 0.322 3.248 1.00 0.47 H new ATOM 0 HG12 ILE A 443 104.748 1.224 3.609 1.00 0.51 H new ATOM 0 HG13 ILE A 443 104.503 -0.335 2.848 1.00 0.51 H new ATOM 0 HG21 ILE A 443 106.228 -2.025 2.859 1.00 0.56 H new ATOM 0 HG22 ILE A 443 107.579 -1.952 4.016 1.00 0.56 H new ATOM 0 HG23 ILE A 443 105.919 -2.217 4.601 1.00 0.56 H new ATOM 0 HD11 ILE A 443 102.980 -0.058 4.785 1.00 1.05 H new ATOM 0 HD12 ILE A 443 104.130 -1.383 5.081 1.00 1.05 H new ATOM 0 HD13 ILE A 443 104.379 0.201 5.855 1.00 1.05 H new ATOM 1971 N ALA A 444 108.793 -0.637 6.345 1.00 0.40 N ATOM 1972 CA ALA A 444 110.272 -0.767 6.479 1.00 0.44 C ATOM 1973 C ALA A 444 110.768 -1.981 5.690 1.00 0.43 C ATOM 1974 O ALA A 444 110.331 -3.091 5.912 1.00 0.45 O ATOM 1975 CB ALA A 444 110.512 -0.977 7.973 1.00 0.46 C ATOM 0 H ALA A 444 108.249 -1.253 6.950 1.00 0.40 H new ATOM 0 HA ALA A 444 110.800 0.105 6.094 1.00 0.44 H new ATOM 0 HB1 ALA A 444 111.581 -1.082 8.159 1.00 0.46 H new ATOM 0 HB2 ALA A 444 110.130 -0.119 8.527 1.00 0.46 H new ATOM 0 HB3 ALA A 444 109.996 -1.879 8.301 1.00 0.46 H new ATOM 1981 N LEU A 445 111.626 -1.775 4.732 1.00 0.57 N ATOM 1982 CA LEU A 445 112.086 -2.917 3.891 1.00 0.63 C ATOM 1983 C LEU A 445 113.507 -3.329 4.276 1.00 0.75 C ATOM 1984 O LEU A 445 114.378 -2.496 4.427 1.00 0.92 O ATOM 1985 CB LEU A 445 112.067 -2.389 2.457 1.00 0.81 C ATOM 1986 CG LEU A 445 110.650 -2.465 1.880 1.00 1.23 C ATOM 1987 CD1 LEU A 445 109.632 -1.989 2.921 1.00 2.11 C ATOM 1988 CD2 LEU A 445 110.561 -1.570 0.642 1.00 1.91 C ATOM 0 H LEU A 445 112.029 -0.869 4.494 1.00 0.57 H new ATOM 0 HA LEU A 445 111.452 -3.794 4.019 1.00 0.63 H new ATOM 0 HB2 LEU A 445 112.420 -1.358 2.437 1.00 0.81 H new ATOM 0 HB3 LEU A 445 112.750 -2.972 1.839 1.00 0.81 H new ATOM 0 HG LEU A 445 110.429 -3.498 1.610 1.00 1.23 H new ATOM 0 HD11 LEU A 445 108.628 -2.047 2.501 1.00 2.11 H new ATOM 0 HD12 LEU A 445 109.692 -2.623 3.805 1.00 2.11 H new ATOM 0 HD13 LEU A 445 109.850 -0.958 3.198 1.00 2.11 H new ATOM 0 HD21 LEU A 445 109.554 -1.621 0.228 1.00 1.91 H new ATOM 0 HD22 LEU A 445 110.787 -0.541 0.920 1.00 1.91 H new ATOM 0 HD23 LEU A 445 111.278 -1.910 -0.105 1.00 1.91 H new ATOM 2000 N LYS A 446 113.788 -4.601 4.239 1.00 0.89 N ATOM 2001 CA LYS A 446 115.198 -5.056 4.386 1.00 1.15 C ATOM 2002 C LYS A 446 115.893 -5.009 3.028 1.00 1.27 C ATOM 2003 O LYS A 446 115.305 -5.314 2.011 1.00 1.87 O ATOM 2004 CB LYS A 446 115.105 -6.499 4.878 1.00 1.92 C ATOM 2005 CG LYS A 446 116.472 -7.178 4.746 1.00 2.25 C ATOM 2006 CD LYS A 446 116.337 -8.432 3.877 1.00 2.85 C ATOM 2007 CE LYS A 446 117.605 -9.280 4.006 1.00 3.64 C ATOM 2008 NZ LYS A 446 117.157 -10.546 4.650 1.00 4.48 N ATOM 0 H LYS A 446 113.102 -5.345 4.113 1.00 0.89 H new ATOM 0 HA LYS A 446 115.767 -4.429 5.073 1.00 1.15 H new ATOM 0 HB2 LYS A 446 114.777 -6.519 5.917 1.00 1.92 H new ATOM 0 HB3 LYS A 446 114.360 -7.044 4.298 1.00 1.92 H new ATOM 0 HG2 LYS A 446 117.190 -6.490 4.301 1.00 2.25 H new ATOM 0 HG3 LYS A 446 116.854 -7.445 5.731 1.00 2.25 H new ATOM 0 HD2 LYS A 446 115.467 -9.010 4.187 1.00 2.85 H new ATOM 0 HD3 LYS A 446 116.179 -8.151 2.836 1.00 2.85 H new ATOM 0 HE2 LYS A 446 118.054 -9.470 3.031 1.00 3.64 H new ATOM 0 HE3 LYS A 446 118.358 -8.775 4.610 1.00 3.64 H new ATOM 0 HZ1 LYS A 446 117.972 -11.181 4.772 1.00 4.48 H new ATOM 0 HZ2 LYS A 446 116.740 -10.334 5.579 1.00 4.48 H new ATOM 0 HZ3 LYS A 446 116.445 -11.008 4.049 1.00 4.48 H new ATOM 2022 N ASP A 447 117.155 -4.699 3.011 1.00 1.33 N ATOM 2023 CA ASP A 447 117.902 -4.718 1.722 1.00 2.04 C ATOM 2024 C ASP A 447 118.628 -6.054 1.555 1.00 1.83 C ATOM 2025 O ASP A 447 119.524 -6.385 2.305 1.00 2.21 O ATOM 2026 CB ASP A 447 118.898 -3.564 1.815 1.00 2.93 C ATOM 2027 CG ASP A 447 119.705 -3.679 3.110 1.00 3.02 C ATOM 2028 OD1 ASP A 447 119.486 -4.632 3.839 1.00 3.91 O ATOM 2029 OD2 ASP A 447 120.528 -2.812 3.350 1.00 2.75 O ATOM 0 H ASP A 447 117.703 -4.434 3.829 1.00 1.33 H new ATOM 0 HA ASP A 447 117.243 -4.607 0.861 1.00 2.04 H new ATOM 0 HB2 ASP A 447 119.568 -3.580 0.955 1.00 2.93 H new ATOM 0 HB3 ASP A 447 118.369 -2.612 1.789 1.00 2.93 H new ATOM 2034 N ILE A 448 118.266 -6.810 0.559 1.00 2.00 N ATOM 2035 CA ILE A 448 118.956 -8.109 0.322 1.00 2.26 C ATOM 2036 C ILE A 448 120.454 -7.869 0.146 1.00 2.39 C ATOM 2037 O ILE A 448 121.279 -8.548 0.725 1.00 2.75 O ATOM 2038 CB ILE A 448 118.348 -8.645 -0.970 1.00 2.53 C ATOM 2039 CG1 ILE A 448 116.839 -8.822 -0.791 1.00 3.34 C ATOM 2040 CG2 ILE A 448 118.981 -9.995 -1.310 1.00 2.71 C ATOM 2041 CD1 ILE A 448 116.185 -8.934 -2.164 1.00 3.61 C ATOM 0 H ILE A 448 117.522 -6.586 -0.102 1.00 2.00 H new ATOM 0 HA ILE A 448 118.833 -8.807 1.150 1.00 2.26 H new ATOM 0 HB ILE A 448 118.538 -7.939 -1.779 1.00 2.53 H new ATOM 0 HG12 ILE A 448 116.632 -9.715 -0.202 1.00 3.34 H new ATOM 0 HG13 ILE A 448 116.423 -7.976 -0.244 1.00 3.34 H new ATOM 0 HG21 ILE A 448 118.547 -10.378 -2.233 1.00 2.71 H new ATOM 0 HG22 ILE A 448 120.056 -9.871 -1.439 1.00 2.71 H new ATOM 0 HG23 ILE A 448 118.792 -10.700 -0.500 1.00 2.71 H new ATOM 0 HD11 ILE A 448 115.109 -9.060 -2.045 1.00 3.61 H new ATOM 0 HD12 ILE A 448 116.383 -8.028 -2.736 1.00 3.61 H new ATOM 0 HD13 ILE A 448 116.595 -9.794 -2.693 1.00 3.61 H new ATOM 2053 N VAL A 449 120.807 -6.881 -0.627 1.00 2.65 N ATOM 2054 CA VAL A 449 122.249 -6.558 -0.818 1.00 3.38 C ATOM 2055 C VAL A 449 122.656 -5.398 0.094 1.00 3.99 C ATOM 2056 O VAL A 449 121.973 -4.397 0.183 1.00 4.70 O ATOM 2057 CB VAL A 449 122.368 -6.148 -2.285 1.00 4.18 C ATOM 2058 CG1 VAL A 449 123.823 -5.797 -2.601 1.00 5.09 C ATOM 2059 CG2 VAL A 449 121.922 -7.310 -3.176 1.00 4.27 C ATOM 0 H VAL A 449 120.158 -6.281 -1.136 1.00 2.65 H new ATOM 0 HA VAL A 449 122.897 -7.399 -0.573 1.00 3.38 H new ATOM 0 HB VAL A 449 121.735 -5.280 -2.471 1.00 4.18 H new ATOM 0 HG11 VAL A 449 123.908 -5.505 -3.648 1.00 5.09 H new ATOM 0 HG12 VAL A 449 124.144 -4.971 -1.966 1.00 5.09 H new ATOM 0 HG13 VAL A 449 124.455 -6.665 -2.415 1.00 5.09 H new ATOM 0 HG21 VAL A 449 122.006 -7.019 -4.223 1.00 4.27 H new ATOM 0 HG22 VAL A 449 122.556 -8.177 -2.988 1.00 4.27 H new ATOM 0 HG23 VAL A 449 120.886 -7.563 -2.952 1.00 4.27 H new ATOM 2069 N LYS A 450 123.771 -5.518 0.761 1.00 4.08 N ATOM 2070 CA LYS A 450 124.228 -4.413 1.653 1.00 5.12 C ATOM 2071 C LYS A 450 125.142 -3.456 0.883 1.00 5.65 C ATOM 2072 O LYS A 450 126.046 -3.871 0.186 1.00 6.68 O ATOM 2073 CB LYS A 450 125.000 -5.105 2.778 1.00 5.87 C ATOM 2074 CG LYS A 450 125.340 -4.084 3.866 1.00 5.93 C ATOM 2075 CD LYS A 450 126.034 -4.793 5.031 1.00 6.39 C ATOM 2076 CE LYS A 450 127.414 -5.281 4.585 1.00 6.77 C ATOM 2077 NZ LYS A 450 128.003 -5.923 5.792 1.00 7.50 N ATOM 0 H LYS A 450 124.385 -6.332 0.728 1.00 4.08 H new ATOM 0 HA LYS A 450 123.397 -3.820 2.035 1.00 5.12 H new ATOM 0 HB2 LYS A 450 124.404 -5.915 3.198 1.00 5.87 H new ATOM 0 HB3 LYS A 450 125.913 -5.552 2.385 1.00 5.87 H new ATOM 0 HG2 LYS A 450 125.988 -3.307 3.461 1.00 5.93 H new ATOM 0 HG3 LYS A 450 124.432 -3.592 4.215 1.00 5.93 H new ATOM 0 HD2 LYS A 450 126.133 -4.113 5.877 1.00 6.39 H new ATOM 0 HD3 LYS A 450 125.431 -5.636 5.369 1.00 6.39 H new ATOM 0 HE2 LYS A 450 127.335 -5.989 3.760 1.00 6.77 H new ATOM 0 HE3 LYS A 450 128.032 -4.453 4.237 1.00 6.77 H new ATOM 0 HZ1 LYS A 450 128.952 -6.283 5.565 1.00 7.50 H new ATOM 0 HZ2 LYS A 450 128.072 -5.223 6.558 1.00 7.50 H new ATOM 0 HZ3 LYS A 450 127.397 -6.711 6.097 1.00 7.50 H new ATOM 2091 N GLY A 451 124.914 -2.177 1.005 1.00 5.14 N ATOM 2092 CA GLY A 451 125.770 -1.195 0.281 1.00 5.92 C ATOM 2093 C GLY A 451 127.214 -1.316 0.770 1.00 6.73 C ATOM 2094 O GLY A 451 127.490 -0.845 1.861 1.00 7.01 O ATOM 2095 OXT GLY A 451 128.019 -1.879 0.046 1.00 7.30 O ATOM 0 H GLY A 451 124.172 -1.770 1.574 1.00 5.14 H new ATOM 0 HA2 GLY A 451 125.722 -1.377 -0.793 1.00 5.92 H new ATOM 0 HA3 GLY A 451 125.402 -0.183 0.449 1.00 5.92 H new TER 2099 GLY A 451 HETATM 2100 PG ANP A1001 116.884 6.255 -3.892 1.00 0.00 P HETATM 2101 O1G ANP A1001 118.290 6.502 -4.380 1.00 0.00 O HETATM 2102 O2G ANP A1001 115.938 7.307 -4.412 1.00 0.00 O HETATM 2103 O3G ANP A1001 116.837 6.177 -2.389 1.00 0.00 O HETATM 2104 PB ANP A1001 116.287 4.738 -6.082 1.00 0.00 P HETATM 2105 O1B ANP A1001 117.015 5.912 -6.672 1.00 0.00 O HETATM 2106 O2B ANP A1001 116.877 3.428 -6.520 1.00 0.00 O HETATM 2107 N3B ANP A1001 116.405 4.831 -4.472 1.00 0.00 N HETATM 2108 PA ANP A1001 114.011 4.533 -7.766 1.00 0.00 P HETATM 2109 O1A ANP A1001 113.439 5.797 -8.289 1.00 0.00 O HETATM 2110 O2A ANP A1001 114.987 3.847 -8.646 1.00 0.00 O HETATM 2111 O3A ANP A1001 114.694 4.812 -6.326 1.00 0.00 O HETATM 2112 O5' ANP A1001 112.807 3.513 -7.407 1.00 0.00 O HETATM 2113 C5' ANP A1001 112.899 2.533 -6.347 1.00 0.00 C HETATM 2114 C4' ANP A1001 112.162 3.036 -5.113 1.00 0.00 C HETATM 2115 O4' ANP A1001 110.738 2.882 -5.350 1.00 0.00 O HETATM 2116 C3' ANP A1001 112.546 2.033 -4.042 1.00 0.00 C HETATM 2117 O3' ANP A1001 113.735 2.411 -3.361 1.00 0.00 O HETATM 2118 C2' ANP A1001 111.353 2.086 -3.126 1.00 0.00 C HETATM 2119 O2' ANP A1001 111.500 3.093 -2.133 1.00 0.00 O HETATM 2120 C1' ANP A1001 110.204 2.420 -4.075 1.00 0.00 C HETATM 2121 N9 ANP A1001 109.396 1.187 -4.359 1.00 0.00 N HETATM 2122 C8 ANP A1001 109.886 -0.057 -4.389 1.00 0.00 C HETATM 2123 N7 ANP A1001 108.916 -0.936 -4.655 1.00 0.00 N HETATM 2124 C5 ANP A1001 107.789 -0.255 -4.803 1.00 0.00 C HETATM 2125 C6 ANP A1001 106.429 -0.582 -5.073 1.00 0.00 C HETATM 2126 N6 ANP A1001 106.058 -1.847 -5.233 1.00 0.00 N HETATM 2127 N1 ANP A1001 105.488 0.420 -5.157 1.00 0.00 N HETATM 2128 C2 ANP A1001 105.793 1.743 -4.988 1.00 0.00 C HETATM 2129 N3 ANP A1001 107.093 2.073 -4.732 1.00 0.00 N HETATM 2130 C4 ANP A1001 108.092 1.116 -4.622 1.00 0.00 C HETATM 0 HO3' ANP A1001 113.948 1.741 -2.678 1.00 0.00 H new HETATM 0 HO2' ANP A1001 112.453 3.261 -1.976 1.00 0.00 H new HETATM 0 HNB1 ANP A1001 116.190 4.040 -3.864 1.00 0.00 H new HETATM 0 HN62 ANP A1001 105.082 -2.072 -5.426 1.00 0.00 H new HETATM 0 HN61 ANP A1001 106.749 -2.594 -5.163 1.00 0.00 H new HETATM 0 H5'2 ANP A1001 112.471 1.586 -6.677 1.00 0.00 H new HETATM 0 H5'1 ANP A1001 113.945 2.343 -6.105 1.00 0.00 H new HETATM 0 H8 ANP A1001 110.931 -0.317 -4.220 1.00 0.00 H new HETATM 0 H4' ANP A1001 112.392 4.071 -4.861 1.00 0.00 H new HETATM 0 H3' ANP A1001 112.762 1.040 -4.436 1.00 0.00 H new HETATM 0 H2' ANP A1001 111.204 1.159 -2.573 1.00 0.00 H new HETATM 0 H2 ANP A1001 105.022 2.510 -5.056 1.00 0.00 H new HETATM 0 H1' ANP A1001 109.588 3.187 -3.605 1.00 0.00 H new