USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=21 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= -1.96 X(o=-2.6,f=-2.2) USER MOD Set 1.2: A 408 ASN : amide:sc= -0.676 X(o=-2.6,f=-2.2!) USER MOD Set 2.1: A 318 GLN : amide:sc= -4.16 K(o=-8.6,f=-12!) USER MOD Set 2.2: A 351 SER OG : rot 107:sc= -4.39! USER MOD Single : A 316 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 320 SER OG : rot -50:sc= -0.994 USER MOD Single : A 326 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 331 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 332 THR OG1 : rot -168:sc= -1.92! USER MOD Single : A 338 GLN : amide:sc= -17.1! C(o=-17!,f=-34!) USER MOD Single : A 341 SER OG : rot -2:sc= -3.99! USER MOD Single : A 346 THR OG1 : rot 37:sc= -0.118 USER MOD Single : A 357 LYS NZ :NH3+ -175:sc= -4.51! (180deg=-4.82!) USER MOD Single : A 358 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 361 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.26) USER MOD Single : A 368 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 369 SER OG : rot -46:sc= -1.36! USER MOD Single : A 371 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 373 THR OG1 : rot 180:sc= 0 USER MOD Single : A 378 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 381 SER OG : rot 180:sc= 0 USER MOD Single : A 383 MET CE :methyl -133:sc= -3.65! (180deg=-8.26!) USER MOD Single : A 384 SER OG : rot -134:sc= 1.24 USER MOD Single : A 387 ASN :FLIP amide:sc= -1.78 F(o=-4.3!,f=-1.8) USER MOD Single : A 390 ASN : amide:sc= -0.129 K(o=-0.13,f=-2.7!) USER MOD Single : A 392 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 395 LYS NZ :NH3+ -175:sc= -10.6! (180deg=-11.1!) USER MOD Single : A 397 SER OG : rot -150:sc=-0.00535 USER MOD Single : A 411 HIS : no HD1:sc= -0.0272 X(o=-0.027,f=-0.046) USER MOD Single : A 414 THR OG1 : rot 180:sc= 0 USER MOD Single : A 418 GLN : amide:sc= -2.49! C(o=-2.5!,f=-3.1!) USER MOD Single : A 419 LYS NZ :NH3+ 142:sc= -0.681 (180deg=-3.25!) USER MOD Single : A 422 GLN : amide:sc= -0.432 X(o=-0.43,f=-0.32) USER MOD Single : A 426 GLN : amide:sc= -0.257 K(o=-0.26,f=-1.8!) USER MOD Single : A 429 THR OG1 : rot -120:sc= -0.287 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 -13:sc= -5.88! USER MOD Single : A1001 ANP O3' : rot -80:sc= -0.161 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 316 118.520 -5.879 -3.663 1.00 4.45 N ATOM 2 CA ASN A 316 117.109 -5.439 -3.884 1.00 3.89 C ATOM 3 C ASN A 316 116.485 -4.981 -2.566 1.00 2.72 C ATOM 4 O ASN A 316 117.102 -5.045 -1.521 1.00 2.74 O ATOM 5 CB ASN A 316 116.377 -6.668 -4.430 1.00 4.56 C ATOM 6 CG ASN A 316 116.975 -7.062 -5.782 1.00 5.35 C ATOM 7 OD1 ASN A 316 117.644 -6.270 -6.417 1.00 5.50 O ATOM 8 ND2 ASN A 316 116.763 -8.260 -6.251 1.00 6.08 N ATOM 0 HA ASN A 316 117.048 -4.597 -4.574 1.00 3.89 H new ATOM 0 HB2 ASN A 316 116.463 -7.497 -3.727 1.00 4.56 H new ATOM 0 HB3 ASN A 316 115.314 -6.452 -4.540 1.00 4.56 H new ATOM 0 HD21 ASN A 316 117.158 -8.533 -7.151 1.00 6.08 H new ATOM 0 HD22 ASN A 316 116.202 -8.924 -5.718 1.00 6.08 H new ATOM 15 N ARG A 317 115.262 -4.530 -2.601 1.00 2.20 N ATOM 16 CA ARG A 317 114.602 -4.083 -1.343 1.00 1.30 C ATOM 17 C ARG A 317 113.319 -4.885 -1.108 1.00 1.48 C ATOM 18 O ARG A 317 112.503 -5.044 -1.993 1.00 1.26 O ATOM 19 CB ARG A 317 114.277 -2.607 -1.572 1.00 1.52 C ATOM 20 CG ARG A 317 115.572 -1.824 -1.799 1.00 2.49 C ATOM 21 CD ARG A 317 115.248 -0.338 -1.962 1.00 3.27 C ATOM 22 NE ARG A 317 116.514 0.281 -2.448 1.00 4.34 N ATOM 23 CZ ARG A 317 117.489 0.526 -1.614 1.00 5.21 C ATOM 24 NH1 ARG A 317 117.364 0.229 -0.348 1.00 5.83 N ATOM 25 NH2 ARG A 317 118.593 1.071 -2.047 1.00 5.72 N ATOM 0 H ARG A 317 114.693 -4.452 -3.444 1.00 2.20 H new ATOM 0 HA ARG A 317 115.234 -4.230 -0.467 1.00 1.30 H new ATOM 0 HB2 ARG A 317 113.619 -2.499 -2.434 1.00 1.52 H new ATOM 0 HB3 ARG A 317 113.743 -2.204 -0.711 1.00 1.52 H new ATOM 0 HG2 ARG A 317 116.249 -1.969 -0.958 1.00 2.49 H new ATOM 0 HG3 ARG A 317 116.083 -2.195 -2.687 1.00 2.49 H new ATOM 0 HD2 ARG A 317 114.436 -0.187 -2.673 1.00 3.27 H new ATOM 0 HD3 ARG A 317 114.930 0.103 -1.017 1.00 3.27 H new ATOM 0 HE ARG A 317 116.619 0.514 -3.435 1.00 4.34 H new ATOM 0 HH11 ARG A 317 116.502 -0.196 -0.007 1.00 5.83 H new ATOM 0 HH12 ARG A 317 118.128 0.422 0.299 1.00 5.83 H new ATOM 0 HH21 ARG A 317 118.693 1.305 -3.035 1.00 5.72 H new ATOM 0 HH22 ARG A 317 119.356 1.263 -1.398 1.00 5.72 H new ATOM 39 N GLN A 318 113.153 -5.414 0.072 1.00 2.19 N ATOM 40 CA GLN A 318 111.940 -6.238 0.359 1.00 2.64 C ATOM 41 C GLN A 318 111.192 -5.661 1.561 1.00 2.16 C ATOM 42 O GLN A 318 111.793 -5.302 2.549 1.00 2.69 O ATOM 43 CB GLN A 318 112.474 -7.632 0.702 1.00 3.37 C ATOM 44 CG GLN A 318 113.604 -8.008 -0.257 1.00 4.16 C ATOM 45 CD GLN A 318 113.096 -7.943 -1.698 1.00 4.79 C ATOM 46 OE1 GLN A 318 112.050 -8.476 -2.010 1.00 4.85 O ATOM 47 NE2 GLN A 318 113.798 -7.310 -2.597 1.00 5.58 N ATOM 0 H GLN A 318 113.803 -5.313 0.851 1.00 2.19 H new ATOM 0 HA GLN A 318 111.249 -6.257 -0.484 1.00 2.64 H new ATOM 0 HB2 GLN A 318 112.837 -7.649 1.730 1.00 3.37 H new ATOM 0 HB3 GLN A 318 111.670 -8.365 0.636 1.00 3.37 H new ATOM 0 HG2 GLN A 318 114.446 -7.329 -0.127 1.00 4.16 H new ATOM 0 HG3 GLN A 318 113.966 -9.011 -0.033 1.00 4.16 H new ATOM 0 HE21 GLN A 318 114.676 -6.862 -2.336 1.00 5.58 H new ATOM 0 HE22 GLN A 318 113.468 -7.263 -3.561 1.00 5.58 H new ATOM 56 N ALA A 319 109.888 -5.684 1.546 1.00 1.32 N ATOM 57 CA ALA A 319 109.142 -5.259 2.766 1.00 1.05 C ATOM 58 C ALA A 319 109.308 -6.303 3.863 1.00 0.89 C ATOM 59 O ALA A 319 108.936 -7.449 3.701 1.00 1.18 O ATOM 60 CB ALA A 319 107.680 -5.178 2.344 1.00 1.42 C ATOM 0 H ALA A 319 109.313 -5.974 0.755 1.00 1.32 H new ATOM 0 HA ALA A 319 109.505 -4.308 3.155 1.00 1.05 H new ATOM 0 HB1 ALA A 319 107.072 -4.870 3.195 1.00 1.42 H new ATOM 0 HB2 ALA A 319 107.573 -4.450 1.539 1.00 1.42 H new ATOM 0 HB3 ALA A 319 107.347 -6.156 1.995 1.00 1.42 H new ATOM 66 N SER A 320 109.781 -5.905 5.006 1.00 0.59 N ATOM 67 CA SER A 320 109.866 -6.867 6.135 1.00 0.64 C ATOM 68 C SER A 320 108.815 -6.540 7.200 1.00 0.49 C ATOM 69 O SER A 320 108.258 -7.419 7.825 1.00 0.50 O ATOM 70 CB SER A 320 111.278 -6.706 6.697 1.00 0.78 C ATOM 71 OG SER A 320 112.200 -7.383 5.853 1.00 1.60 O ATOM 0 H SER A 320 110.111 -4.961 5.208 1.00 0.59 H new ATOM 0 HA SER A 320 109.675 -7.891 5.814 1.00 0.64 H new ATOM 0 HB2 SER A 320 111.537 -5.649 6.764 1.00 0.78 H new ATOM 0 HB3 SER A 320 111.328 -7.111 7.708 1.00 0.78 H new ATOM 0 HG SER A 320 111.882 -8.295 5.686 1.00 1.60 H new ATOM 77 N GLU A 321 108.548 -5.281 7.423 1.00 0.45 N ATOM 78 CA GLU A 321 107.542 -4.910 8.462 1.00 0.44 C ATOM 79 C GLU A 321 106.768 -3.659 8.041 1.00 0.37 C ATOM 80 O GLU A 321 107.315 -2.746 7.466 1.00 0.35 O ATOM 81 CB GLU A 321 108.355 -4.630 9.721 1.00 0.59 C ATOM 82 CG GLU A 321 107.418 -4.167 10.837 1.00 0.73 C ATOM 83 CD GLU A 321 106.541 -5.337 11.288 1.00 1.02 C ATOM 84 OE1 GLU A 321 106.959 -6.469 11.108 1.00 1.30 O ATOM 85 OE2 GLU A 321 105.467 -5.081 11.806 1.00 1.82 O ATOM 0 H GLU A 321 108.980 -4.497 6.934 1.00 0.45 H new ATOM 0 HA GLU A 321 106.806 -5.700 8.614 1.00 0.44 H new ATOM 0 HB2 GLU A 321 108.890 -5.528 10.029 1.00 0.59 H new ATOM 0 HB3 GLU A 321 109.105 -3.865 9.520 1.00 0.59 H new ATOM 0 HG2 GLU A 321 107.998 -3.788 11.679 1.00 0.73 H new ATOM 0 HG3 GLU A 321 106.794 -3.346 10.485 1.00 0.73 H new ATOM 92 N PHE A 322 105.519 -3.576 8.404 1.00 0.40 N ATOM 93 CA PHE A 322 104.738 -2.337 8.112 1.00 0.37 C ATOM 94 C PHE A 322 104.283 -1.669 9.411 1.00 0.38 C ATOM 95 O PHE A 322 103.954 -2.326 10.379 1.00 0.42 O ATOM 96 CB PHE A 322 103.535 -2.802 7.284 1.00 0.41 C ATOM 97 CG PHE A 322 102.926 -4.037 7.902 1.00 0.52 C ATOM 98 CD1 PHE A 322 102.222 -3.946 9.112 1.00 0.67 C ATOM 99 CD2 PHE A 322 103.056 -5.274 7.258 1.00 0.94 C ATOM 100 CE1 PHE A 322 101.650 -5.095 9.676 1.00 0.87 C ATOM 101 CE2 PHE A 322 102.484 -6.421 7.822 1.00 1.14 C ATOM 102 CZ PHE A 322 101.781 -6.333 9.031 1.00 1.00 C ATOM 0 H PHE A 322 105.004 -4.310 8.890 1.00 0.40 H new ATOM 0 HA PHE A 322 105.332 -1.597 7.576 1.00 0.37 H new ATOM 0 HB2 PHE A 322 102.791 -2.007 7.232 1.00 0.41 H new ATOM 0 HB3 PHE A 322 103.848 -3.014 6.261 1.00 0.41 H new ATOM 0 HD1 PHE A 322 102.121 -2.992 9.608 1.00 0.67 H new ATOM 0 HD2 PHE A 322 103.598 -5.343 6.326 1.00 0.94 H new ATOM 0 HE1 PHE A 322 101.108 -5.026 10.608 1.00 0.87 H new ATOM 0 HE2 PHE A 322 102.585 -7.374 7.325 1.00 1.14 H new ATOM 0 HZ PHE A 322 101.340 -7.218 9.466 1.00 1.00 H new ATOM 112 N ILE A 323 104.205 -0.364 9.418 1.00 0.37 N ATOM 113 CA ILE A 323 103.703 0.348 10.632 1.00 0.41 C ATOM 114 C ILE A 323 102.636 1.379 10.244 1.00 0.43 C ATOM 115 O ILE A 323 102.774 2.074 9.260 1.00 0.53 O ATOM 116 CB ILE A 323 104.916 1.052 11.234 1.00 0.44 C ATOM 117 CG1 ILE A 323 106.130 0.121 11.194 1.00 0.46 C ATOM 118 CG2 ILE A 323 104.603 1.417 12.684 1.00 0.48 C ATOM 119 CD1 ILE A 323 105.811 -1.162 11.962 1.00 0.52 C ATOM 0 H ILE A 323 104.466 0.239 8.638 1.00 0.37 H new ATOM 0 HA ILE A 323 103.245 -0.344 11.339 1.00 0.41 H new ATOM 0 HB ILE A 323 105.140 1.952 10.661 1.00 0.44 H new ATOM 0 HG12 ILE A 323 106.388 -0.115 10.161 1.00 0.46 H new ATOM 0 HG13 ILE A 323 106.996 0.615 11.634 1.00 0.46 H new ATOM 0 HG21 ILE A 323 105.462 1.921 13.126 1.00 0.48 H new ATOM 0 HG22 ILE A 323 103.739 2.080 12.714 1.00 0.48 H new ATOM 0 HG23 ILE A 323 104.384 0.510 13.248 1.00 0.48 H new ATOM 0 HD11 ILE A 323 106.675 -1.827 11.935 1.00 0.52 H new ATOM 0 HD12 ILE A 323 105.574 -0.917 12.997 1.00 0.52 H new ATOM 0 HD13 ILE A 323 104.956 -1.658 11.502 1.00 0.52 H new ATOM 131 N PRO A 324 101.571 1.389 11.002 1.00 0.36 N ATOM 132 CA PRO A 324 100.423 2.277 10.692 1.00 0.40 C ATOM 133 C PRO A 324 100.827 3.748 10.758 1.00 0.64 C ATOM 134 O PRO A 324 101.666 4.137 11.544 1.00 1.44 O ATOM 135 CB PRO A 324 99.398 1.974 11.778 1.00 0.33 C ATOM 136 CG PRO A 324 99.873 0.743 12.481 1.00 0.30 C ATOM 137 CD PRO A 324 101.342 0.585 12.203 1.00 0.29 C ATOM 0 HA PRO A 324 100.042 2.104 9.686 1.00 0.40 H new ATOM 0 HB2 PRO A 324 99.312 2.809 12.474 1.00 0.33 H new ATOM 0 HB3 PRO A 324 98.410 1.816 11.345 1.00 0.33 H new ATOM 0 HG2 PRO A 324 99.695 0.824 13.553 1.00 0.30 H new ATOM 0 HG3 PRO A 324 99.323 -0.131 12.132 1.00 0.30 H new ATOM 0 HD2 PRO A 324 101.945 0.938 13.039 1.00 0.29 H new ATOM 0 HD3 PRO A 324 101.606 -0.460 12.039 1.00 0.29 H new ATOM 145 N ALA A 325 100.091 4.587 10.082 1.00 0.75 N ATOM 146 CA ALA A 325 100.274 6.052 10.271 1.00 0.98 C ATOM 147 C ALA A 325 99.599 6.482 11.573 1.00 0.81 C ATOM 148 O ALA A 325 99.264 5.666 12.408 1.00 1.11 O ATOM 149 CB ALA A 325 99.587 6.698 9.069 1.00 1.58 C ATOM 0 H ALA A 325 99.373 4.321 9.409 1.00 0.75 H new ATOM 0 HA ALA A 325 101.323 6.342 10.335 1.00 0.98 H new ATOM 0 HB1 ALA A 325 99.679 7.782 9.136 1.00 1.58 H new ATOM 0 HB2 ALA A 325 100.059 6.350 8.150 1.00 1.58 H new ATOM 0 HB3 ALA A 325 98.532 6.423 9.062 1.00 1.58 H new ATOM 155 N GLN A 326 99.446 7.757 11.779 1.00 0.91 N ATOM 156 CA GLN A 326 98.852 8.233 13.060 1.00 1.48 C ATOM 157 C GLN A 326 97.401 7.750 13.188 1.00 1.32 C ATOM 158 O GLN A 326 96.502 8.287 12.572 1.00 1.83 O ATOM 159 CB GLN A 326 98.903 9.758 12.967 1.00 2.25 C ATOM 160 CG GLN A 326 98.534 10.369 14.320 1.00 3.14 C ATOM 161 CD GLN A 326 98.689 11.890 14.251 1.00 3.55 C ATOM 162 OE1 GLN A 326 99.140 12.421 13.257 1.00 4.00 O ATOM 163 NE2 GLN A 326 98.334 12.616 15.276 1.00 3.92 N ATOM 0 H GLN A 326 99.705 8.490 11.119 1.00 0.91 H new ATOM 0 HA GLN A 326 99.387 7.855 13.931 1.00 1.48 H new ATOM 0 HB2 GLN A 326 99.901 10.081 12.671 1.00 2.25 H new ATOM 0 HB3 GLN A 326 98.214 10.108 12.199 1.00 2.25 H new ATOM 0 HG2 GLN A 326 97.508 10.109 14.581 1.00 3.14 H new ATOM 0 HG3 GLN A 326 99.175 9.962 15.102 1.00 3.14 H new ATOM 0 HE21 GLN A 326 97.955 12.169 16.111 1.00 3.92 H new ATOM 0 HE22 GLN A 326 98.435 13.630 15.242 1.00 3.92 H new ATOM 172 N GLY A 327 97.156 6.792 14.046 1.00 1.28 N ATOM 173 CA GLY A 327 95.753 6.343 14.285 1.00 1.48 C ATOM 174 C GLY A 327 95.394 5.192 13.338 1.00 1.24 C ATOM 175 O GLY A 327 94.235 4.915 13.098 1.00 1.52 O ATOM 0 H GLY A 327 97.867 6.303 14.590 1.00 1.28 H new ATOM 0 HA2 GLY A 327 95.638 6.021 15.320 1.00 1.48 H new ATOM 0 HA3 GLY A 327 95.066 7.176 14.133 1.00 1.48 H new ATOM 179 N VAL A 328 96.371 4.564 12.741 1.00 0.93 N ATOM 180 CA VAL A 328 96.071 3.490 11.748 1.00 1.03 C ATOM 181 C VAL A 328 96.349 2.105 12.343 1.00 1.06 C ATOM 182 O VAL A 328 97.239 1.933 13.151 1.00 1.71 O ATOM 183 CB VAL A 328 97.011 3.765 10.574 1.00 1.43 C ATOM 184 CG1 VAL A 328 96.734 2.760 9.454 1.00 1.73 C ATOM 185 CG2 VAL A 328 96.774 5.184 10.054 1.00 1.57 C ATOM 0 H VAL A 328 97.362 4.747 12.897 1.00 0.93 H new ATOM 0 HA VAL A 328 95.023 3.495 11.448 1.00 1.03 H new ATOM 0 HB VAL A 328 98.045 3.666 10.905 1.00 1.43 H new ATOM 0 HG11 VAL A 328 97.404 2.955 8.616 1.00 1.73 H new ATOM 0 HG12 VAL A 328 96.900 1.748 9.824 1.00 1.73 H new ATOM 0 HG13 VAL A 328 95.700 2.860 9.123 1.00 1.73 H new ATOM 0 HG21 VAL A 328 97.444 5.381 9.217 1.00 1.57 H new ATOM 0 HG22 VAL A 328 95.740 5.282 9.723 1.00 1.57 H new ATOM 0 HG23 VAL A 328 96.969 5.901 10.851 1.00 1.57 H new ATOM 195 N ASP A 329 95.633 1.104 11.903 1.00 1.16 N ATOM 196 CA ASP A 329 95.907 -0.283 12.387 1.00 1.20 C ATOM 197 C ASP A 329 97.007 -0.929 11.535 1.00 1.16 C ATOM 198 O ASP A 329 97.119 -0.669 10.353 1.00 1.39 O ATOM 199 CB ASP A 329 94.584 -1.032 12.215 1.00 1.44 C ATOM 200 CG ASP A 329 93.537 -0.442 13.161 1.00 1.37 C ATOM 201 OD1 ASP A 329 93.920 0.308 14.043 1.00 1.69 O ATOM 202 OD2 ASP A 329 92.370 -0.751 12.987 1.00 2.02 O ATOM 0 H ASP A 329 94.871 1.186 11.230 1.00 1.16 H new ATOM 0 HA ASP A 329 96.252 -0.301 13.421 1.00 1.20 H new ATOM 0 HB2 ASP A 329 94.242 -0.955 11.183 1.00 1.44 H new ATOM 0 HB3 ASP A 329 94.724 -2.092 12.426 1.00 1.44 H new ATOM 207 N GLU A 330 97.864 -1.711 12.138 1.00 1.13 N ATOM 208 CA GLU A 330 99.004 -2.301 11.371 1.00 1.11 C ATOM 209 C GLU A 330 98.482 -3.249 10.289 1.00 0.97 C ATOM 210 O GLU A 330 98.962 -3.256 9.172 1.00 0.91 O ATOM 211 CB GLU A 330 99.821 -3.073 12.410 1.00 1.28 C ATOM 212 CG GLU A 330 99.076 -4.351 12.803 1.00 1.68 C ATOM 213 CD GLU A 330 99.832 -5.057 13.929 1.00 2.07 C ATOM 214 OE1 GLU A 330 100.910 -4.599 14.270 1.00 2.70 O ATOM 215 OE2 GLU A 330 99.320 -6.045 14.431 1.00 2.49 O ATOM 0 H GLU A 330 97.825 -1.967 13.125 1.00 1.13 H new ATOM 0 HA GLU A 330 99.598 -1.540 10.865 1.00 1.11 H new ATOM 0 HB2 GLU A 330 100.802 -3.322 12.004 1.00 1.28 H new ATOM 0 HB3 GLU A 330 99.988 -2.452 13.290 1.00 1.28 H new ATOM 0 HG2 GLU A 330 98.063 -4.109 13.126 1.00 1.68 H new ATOM 0 HG3 GLU A 330 98.986 -5.012 11.941 1.00 1.68 H new ATOM 222 N LYS A 331 97.455 -3.994 10.584 1.00 0.98 N ATOM 223 CA LYS A 331 96.855 -4.872 9.541 1.00 0.92 C ATOM 224 C LYS A 331 96.379 -4.023 8.364 1.00 0.81 C ATOM 225 O LYS A 331 96.528 -4.390 7.216 1.00 0.80 O ATOM 226 CB LYS A 331 95.669 -5.549 10.227 1.00 1.02 C ATOM 227 CG LYS A 331 96.178 -6.425 11.373 1.00 1.49 C ATOM 228 CD LYS A 331 95.010 -7.213 11.972 1.00 2.27 C ATOM 229 CE LYS A 331 95.497 -7.999 13.191 1.00 2.60 C ATOM 230 NZ LYS A 331 94.670 -9.238 13.204 1.00 3.03 N ATOM 0 H LYS A 331 97.006 -4.034 11.499 1.00 0.98 H new ATOM 0 HA LYS A 331 97.565 -5.600 9.149 1.00 0.92 H new ATOM 0 HB2 LYS A 331 94.978 -4.797 10.608 1.00 1.02 H new ATOM 0 HB3 LYS A 331 95.117 -6.155 9.509 1.00 1.02 H new ATOM 0 HG2 LYS A 331 96.944 -7.110 11.009 1.00 1.49 H new ATOM 0 HG3 LYS A 331 96.643 -5.805 12.139 1.00 1.49 H new ATOM 0 HD2 LYS A 331 94.209 -6.533 12.261 1.00 2.27 H new ATOM 0 HD3 LYS A 331 94.597 -7.894 11.228 1.00 2.27 H new ATOM 0 HE2 LYS A 331 96.559 -8.233 13.112 1.00 2.60 H new ATOM 0 HE3 LYS A 331 95.365 -7.426 14.109 1.00 2.60 H new ATOM 0 HZ1 LYS A 331 94.945 -9.831 14.013 1.00 3.03 H new ATOM 0 HZ2 LYS A 331 93.665 -8.984 13.287 1.00 3.03 H new ATOM 0 HZ3 LYS A 331 94.822 -9.766 12.321 1.00 3.03 H new ATOM 244 N THR A 332 95.829 -2.875 8.641 1.00 0.78 N ATOM 245 CA THR A 332 95.363 -1.988 7.541 1.00 0.74 C ATOM 246 C THR A 332 96.530 -1.614 6.625 1.00 0.65 C ATOM 247 O THR A 332 96.414 -1.641 5.417 1.00 0.66 O ATOM 248 CB THR A 332 94.817 -0.745 8.243 1.00 0.77 C ATOM 249 OG1 THR A 332 93.790 -1.126 9.147 1.00 0.90 O ATOM 250 CG2 THR A 332 94.254 0.225 7.204 1.00 0.82 C ATOM 0 H THR A 332 95.682 -2.512 9.583 1.00 0.78 H new ATOM 0 HA THR A 332 94.612 -2.470 6.915 1.00 0.74 H new ATOM 0 HB THR A 332 95.621 -0.256 8.793 1.00 0.77 H new ATOM 0 HG1 THR A 332 93.312 -0.328 9.455 1.00 0.90 H new ATOM 0 HG21 THR A 332 93.865 1.111 7.706 1.00 0.82 H new ATOM 0 HG22 THR A 332 95.045 0.517 6.513 1.00 0.82 H new ATOM 0 HG23 THR A 332 93.450 -0.261 6.651 1.00 0.82 H new ATOM 258 N LEU A 333 97.643 -1.225 7.185 1.00 0.59 N ATOM 259 CA LEU A 333 98.788 -0.807 6.328 1.00 0.57 C ATOM 260 C LEU A 333 99.270 -1.964 5.450 1.00 0.58 C ATOM 261 O LEU A 333 99.511 -1.800 4.271 1.00 0.54 O ATOM 262 CB LEU A 333 99.892 -0.390 7.295 1.00 0.68 C ATOM 263 CG LEU A 333 101.200 -0.250 6.516 1.00 0.64 C ATOM 264 CD1 LEU A 333 101.011 0.748 5.373 1.00 0.93 C ATOM 265 CD2 LEU A 333 102.302 0.250 7.446 1.00 0.87 C ATOM 0 H LEU A 333 97.808 -1.179 8.190 1.00 0.59 H new ATOM 0 HA LEU A 333 98.502 0.001 5.655 1.00 0.57 H new ATOM 0 HB2 LEU A 333 99.636 0.554 7.776 1.00 0.68 H new ATOM 0 HB3 LEU A 333 100.001 -1.132 8.086 1.00 0.68 H new ATOM 0 HG LEU A 333 101.481 -1.222 6.110 1.00 0.64 H new ATOM 0 HD11 LEU A 333 101.944 0.847 4.818 1.00 0.93 H new ATOM 0 HD12 LEU A 333 100.228 0.391 4.704 1.00 0.93 H new ATOM 0 HD13 LEU A 333 100.726 1.718 5.780 1.00 0.93 H new ATOM 0 HD21 LEU A 333 103.233 0.349 6.887 1.00 0.87 H new ATOM 0 HD22 LEU A 333 102.020 1.220 7.856 1.00 0.87 H new ATOM 0 HD23 LEU A 333 102.441 -0.461 8.260 1.00 0.87 H new ATOM 277 N ALA A 334 99.403 -3.131 6.007 1.00 0.66 N ATOM 278 CA ALA A 334 99.864 -4.289 5.192 1.00 0.73 C ATOM 279 C ALA A 334 98.880 -4.541 4.050 1.00 0.68 C ATOM 280 O ALA A 334 99.250 -4.904 2.953 1.00 0.66 O ATOM 281 CB ALA A 334 99.872 -5.471 6.161 1.00 0.87 C ATOM 0 H ALA A 334 99.214 -3.335 6.988 1.00 0.66 H new ATOM 0 HA ALA A 334 100.844 -4.123 4.744 1.00 0.73 H new ATOM 0 HB1 ALA A 334 100.201 -6.368 5.637 1.00 0.87 H new ATOM 0 HB2 ALA A 334 100.553 -5.261 6.985 1.00 0.87 H new ATOM 0 HB3 ALA A 334 98.867 -5.628 6.552 1.00 0.87 H new ATOM 287 N ASP A 335 97.623 -4.388 4.313 1.00 0.67 N ATOM 288 CA ASP A 335 96.606 -4.670 3.262 1.00 0.65 C ATOM 289 C ASP A 335 96.714 -3.676 2.100 1.00 0.62 C ATOM 290 O ASP A 335 96.705 -4.054 0.945 1.00 0.69 O ATOM 291 CB ASP A 335 95.273 -4.499 3.972 1.00 0.67 C ATOM 292 CG ASP A 335 94.134 -4.918 3.041 1.00 1.19 C ATOM 293 OD1 ASP A 335 94.426 -5.442 1.978 1.00 1.96 O ATOM 294 OD2 ASP A 335 92.989 -4.707 3.407 1.00 1.61 O ATOM 0 H ASP A 335 97.248 -4.080 5.210 1.00 0.67 H new ATOM 0 HA ASP A 335 96.735 -5.662 2.829 1.00 0.65 H new ATOM 0 HB2 ASP A 335 95.254 -5.102 4.880 1.00 0.67 H new ATOM 0 HB3 ASP A 335 95.143 -3.460 4.276 1.00 0.67 H new ATOM 299 N ALA A 336 96.782 -2.407 2.395 1.00 0.60 N ATOM 300 CA ALA A 336 96.842 -1.391 1.304 1.00 0.62 C ATOM 301 C ALA A 336 98.149 -1.519 0.524 1.00 0.51 C ATOM 302 O ALA A 336 98.174 -1.378 -0.680 1.00 0.55 O ATOM 303 CB ALA A 336 96.759 -0.037 2.007 1.00 0.76 C ATOM 0 H ALA A 336 96.799 -2.029 3.342 1.00 0.60 H new ATOM 0 HA ALA A 336 96.035 -1.520 0.582 1.00 0.62 H new ATOM 0 HB1 ALA A 336 96.797 0.761 1.265 1.00 0.76 H new ATOM 0 HB2 ALA A 336 95.823 0.028 2.562 1.00 0.76 H new ATOM 0 HB3 ALA A 336 97.597 0.067 2.696 1.00 0.76 H new ATOM 309 N ALA A 337 99.228 -1.817 1.185 1.00 0.46 N ATOM 310 CA ALA A 337 100.514 -1.980 0.449 1.00 0.50 C ATOM 311 C ALA A 337 100.422 -3.167 -0.514 1.00 0.62 C ATOM 312 O ALA A 337 101.029 -3.174 -1.566 1.00 0.72 O ATOM 313 CB ALA A 337 101.569 -2.240 1.525 1.00 0.50 C ATOM 0 H ALA A 337 99.279 -1.954 2.194 1.00 0.46 H new ATOM 0 HA ALA A 337 100.759 -1.102 -0.148 1.00 0.50 H new ATOM 0 HB1 ALA A 337 102.544 -2.370 1.055 1.00 0.50 H new ATOM 0 HB2 ALA A 337 101.607 -1.393 2.210 1.00 0.50 H new ATOM 0 HB3 ALA A 337 101.310 -3.143 2.078 1.00 0.50 H new ATOM 319 N GLN A 338 99.692 -4.184 -0.146 1.00 0.71 N ATOM 320 CA GLN A 338 99.590 -5.386 -1.024 1.00 0.91 C ATOM 321 C GLN A 338 98.793 -5.081 -2.297 1.00 0.94 C ATOM 322 O GLN A 338 99.221 -5.390 -3.390 1.00 1.06 O ATOM 323 CB GLN A 338 98.874 -6.431 -0.171 1.00 1.03 C ATOM 324 CG GLN A 338 99.761 -6.927 0.995 1.00 1.03 C ATOM 325 CD GLN A 338 101.127 -6.210 1.058 1.00 0.94 C ATOM 326 OE1 GLN A 338 101.929 -6.323 0.159 1.00 1.72 O ATOM 327 NE2 GLN A 338 101.426 -5.481 2.098 1.00 0.69 N ATOM 0 H GLN A 338 99.162 -4.235 0.724 1.00 0.71 H new ATOM 0 HA GLN A 338 100.569 -5.727 -1.361 1.00 0.91 H new ATOM 0 HB2 GLN A 338 97.953 -6.005 0.228 1.00 1.03 H new ATOM 0 HB3 GLN A 338 98.589 -7.277 -0.796 1.00 1.03 H new ATOM 0 HG2 GLN A 338 99.233 -6.775 1.936 1.00 1.03 H new ATOM 0 HG3 GLN A 338 99.924 -8.000 0.890 1.00 1.03 H new ATOM 0 HE21 GLN A 338 100.756 -5.381 2.860 1.00 0.69 H new ATOM 0 HE22 GLN A 338 102.330 -5.012 2.149 1.00 0.69 H new ATOM 336 N LEU A 339 97.617 -4.531 -2.175 1.00 0.86 N ATOM 337 CA LEU A 339 96.806 -4.282 -3.408 1.00 0.90 C ATOM 338 C LEU A 339 97.427 -3.152 -4.240 1.00 0.84 C ATOM 339 O LEU A 339 97.451 -3.209 -5.454 1.00 1.00 O ATOM 340 CB LEU A 339 95.393 -3.913 -2.940 1.00 0.80 C ATOM 341 CG LEU A 339 95.438 -2.917 -1.782 1.00 1.01 C ATOM 342 CD1 LEU A 339 94.734 -1.627 -2.200 1.00 1.34 C ATOM 343 CD2 LEU A 339 94.709 -3.526 -0.581 1.00 1.58 C ATOM 0 H LEU A 339 97.186 -4.247 -1.296 1.00 0.86 H new ATOM 0 HA LEU A 339 96.779 -5.165 -4.047 1.00 0.90 H new ATOM 0 HB2 LEU A 339 94.832 -3.484 -3.771 1.00 0.80 H new ATOM 0 HB3 LEU A 339 94.863 -4.813 -2.629 1.00 0.80 H new ATOM 0 HG LEU A 339 96.472 -2.697 -1.518 1.00 1.01 H new ATOM 0 HD11 LEU A 339 94.764 -0.913 -1.377 1.00 1.34 H new ATOM 0 HD12 LEU A 339 95.239 -1.202 -3.067 1.00 1.34 H new ATOM 0 HD13 LEU A 339 93.697 -1.845 -2.454 1.00 1.34 H new ATOM 0 HD21 LEU A 339 94.734 -2.825 0.253 1.00 1.58 H new ATOM 0 HD22 LEU A 339 93.673 -3.733 -0.851 1.00 1.58 H new ATOM 0 HD23 LEU A 339 95.200 -4.454 -0.290 1.00 1.58 H new ATOM 355 N ALA A 340 97.967 -2.150 -3.603 1.00 0.74 N ATOM 356 CA ALA A 340 98.627 -1.048 -4.363 1.00 0.93 C ATOM 357 C ALA A 340 99.897 -1.561 -5.045 1.00 1.36 C ATOM 358 O ALA A 340 100.444 -0.921 -5.922 1.00 2.24 O ATOM 359 CB ALA A 340 98.975 0.003 -3.309 1.00 0.82 C ATOM 0 H ALA A 340 97.980 -2.045 -2.588 1.00 0.74 H new ATOM 0 HA ALA A 340 97.986 -0.646 -5.147 1.00 0.93 H new ATOM 0 HB1 ALA A 340 99.466 0.850 -3.788 1.00 0.82 H new ATOM 0 HB2 ALA A 340 98.063 0.342 -2.818 1.00 0.82 H new ATOM 0 HB3 ALA A 340 99.645 -0.433 -2.568 1.00 0.82 H new ATOM 365 N SER A 341 100.350 -2.726 -4.676 1.00 1.07 N ATOM 366 CA SER A 341 101.564 -3.296 -5.334 1.00 1.44 C ATOM 367 C SER A 341 101.155 -4.265 -6.448 1.00 1.51 C ATOM 368 O SER A 341 101.941 -4.598 -7.313 1.00 2.65 O ATOM 369 CB SER A 341 102.324 -4.023 -4.223 1.00 2.84 C ATOM 370 OG SER A 341 101.496 -5.033 -3.670 1.00 3.56 O ATOM 0 H SER A 341 99.935 -3.309 -3.949 1.00 1.07 H new ATOM 0 HA SER A 341 102.181 -2.527 -5.799 1.00 1.44 H new ATOM 0 HB2 SER A 341 103.238 -4.464 -4.621 1.00 2.84 H new ATOM 0 HB3 SER A 341 102.622 -3.316 -3.448 1.00 2.84 H new ATOM 0 HG SER A 341 100.616 -5.007 -4.100 1.00 3.56 H new ATOM 376 N LEU A 342 99.922 -4.690 -6.458 1.00 1.19 N ATOM 377 CA LEU A 342 99.459 -5.598 -7.546 1.00 2.40 C ATOM 378 C LEU A 342 99.631 -4.920 -8.908 1.00 2.59 C ATOM 379 O LEU A 342 99.754 -5.571 -9.926 1.00 3.62 O ATOM 380 CB LEU A 342 97.974 -5.837 -7.264 1.00 3.39 C ATOM 381 CG LEU A 342 97.806 -6.506 -5.901 1.00 3.93 C ATOM 382 CD1 LEU A 342 96.336 -6.881 -5.699 1.00 4.36 C ATOM 383 CD2 LEU A 342 98.667 -7.769 -5.846 1.00 3.74 C ATOM 0 H LEU A 342 99.216 -4.449 -5.762 1.00 1.19 H new ATOM 0 HA LEU A 342 100.027 -6.528 -7.571 1.00 2.40 H new ATOM 0 HB2 LEU A 342 97.434 -4.890 -7.283 1.00 3.39 H new ATOM 0 HB3 LEU A 342 97.543 -6.466 -8.043 1.00 3.39 H new ATOM 0 HG LEU A 342 98.118 -5.819 -5.115 1.00 3.93 H new ATOM 0 HD11 LEU A 342 96.213 -7.359 -4.727 1.00 4.36 H new ATOM 0 HD12 LEU A 342 95.722 -5.982 -5.742 1.00 4.36 H new ATOM 0 HD13 LEU A 342 96.025 -7.570 -6.484 1.00 4.36 H new ATOM 0 HD21 LEU A 342 98.549 -8.248 -4.874 1.00 3.74 H new ATOM 0 HD22 LEU A 342 98.353 -8.458 -6.631 1.00 3.74 H new ATOM 0 HD23 LEU A 342 99.714 -7.503 -5.994 1.00 3.74 H new ATOM 395 N ALA A 343 99.581 -3.616 -8.939 1.00 2.04 N ATOM 396 CA ALA A 343 99.676 -2.893 -10.240 1.00 2.90 C ATOM 397 C ALA A 343 101.139 -2.618 -10.605 1.00 2.34 C ATOM 398 O ALA A 343 101.452 -2.310 -11.737 1.00 2.96 O ATOM 399 CB ALA A 343 98.917 -1.584 -10.022 1.00 3.81 C ATOM 0 H ALA A 343 99.478 -3.019 -8.118 1.00 2.04 H new ATOM 0 HA ALA A 343 99.259 -3.476 -11.061 1.00 2.90 H new ATOM 0 HB1 ALA A 343 98.941 -0.993 -10.937 1.00 3.81 H new ATOM 0 HB2 ALA A 343 97.882 -1.803 -9.758 1.00 3.81 H new ATOM 0 HB3 ALA A 343 99.386 -1.022 -9.215 1.00 3.81 H new ATOM 405 N ASP A 344 102.040 -2.738 -9.668 1.00 1.46 N ATOM 406 CA ASP A 344 103.475 -2.491 -9.992 1.00 1.77 C ATOM 407 C ASP A 344 104.116 -3.768 -10.548 1.00 1.92 C ATOM 408 O ASP A 344 103.882 -4.855 -10.058 1.00 1.99 O ATOM 409 CB ASP A 344 104.127 -2.076 -8.669 1.00 1.69 C ATOM 410 CG ASP A 344 104.384 -3.308 -7.795 1.00 2.00 C ATOM 411 OD1 ASP A 344 105.137 -4.167 -8.222 1.00 2.84 O ATOM 412 OD2 ASP A 344 103.827 -3.366 -6.712 1.00 1.89 O ATOM 0 H ASP A 344 101.848 -2.994 -8.700 1.00 1.46 H new ATOM 0 HA ASP A 344 103.600 -1.720 -10.753 1.00 1.77 H new ATOM 0 HB2 ASP A 344 105.066 -1.558 -8.865 1.00 1.69 H new ATOM 0 HB3 ASP A 344 103.480 -1.375 -8.141 1.00 1.69 H new ATOM 417 N GLU A 345 104.922 -3.645 -11.568 1.00 2.10 N ATOM 418 CA GLU A 345 105.577 -4.853 -12.149 1.00 2.37 C ATOM 419 C GLU A 345 106.975 -5.035 -11.555 1.00 2.30 C ATOM 420 O GLU A 345 107.729 -5.895 -11.965 1.00 2.51 O ATOM 421 CB GLU A 345 105.661 -4.578 -13.651 1.00 2.66 C ATOM 422 CG GLU A 345 104.251 -4.400 -14.217 1.00 2.29 C ATOM 423 CD GLU A 345 104.330 -4.207 -15.732 1.00 2.60 C ATOM 424 OE1 GLU A 345 105.431 -4.051 -16.234 1.00 2.99 O ATOM 425 OE2 GLU A 345 103.287 -4.217 -16.366 1.00 2.87 O ATOM 0 H GLU A 345 105.155 -2.763 -12.023 1.00 2.10 H new ATOM 0 HA GLU A 345 105.021 -5.766 -11.935 1.00 2.37 H new ATOM 0 HB2 GLU A 345 106.254 -3.682 -13.835 1.00 2.66 H new ATOM 0 HB3 GLU A 345 106.165 -5.403 -14.155 1.00 2.66 H new ATOM 0 HG2 GLU A 345 103.641 -5.272 -13.982 1.00 2.29 H new ATOM 0 HG3 GLU A 345 103.768 -3.539 -13.755 1.00 2.29 H new ATOM 432 N THR A 346 107.319 -4.243 -10.580 1.00 2.06 N ATOM 433 CA THR A 346 108.661 -4.379 -9.944 1.00 2.06 C ATOM 434 C THR A 346 108.703 -5.634 -9.068 1.00 1.91 C ATOM 435 O THR A 346 107.735 -5.965 -8.413 1.00 1.73 O ATOM 436 CB THR A 346 108.824 -3.123 -9.087 1.00 2.02 C ATOM 437 OG1 THR A 346 107.562 -2.756 -8.547 1.00 1.96 O ATOM 438 CG2 THR A 346 109.365 -1.981 -9.948 1.00 2.07 C ATOM 0 H THR A 346 106.729 -3.506 -10.194 1.00 2.06 H new ATOM 0 HA THR A 346 109.459 -4.476 -10.680 1.00 2.06 H new ATOM 0 HB THR A 346 109.524 -3.324 -8.276 1.00 2.02 H new ATOM 0 HG1 THR A 346 107.055 -3.564 -8.322 1.00 1.96 H new ATOM 0 HG21 THR A 346 109.480 -1.087 -9.336 1.00 2.07 H new ATOM 0 HG22 THR A 346 110.333 -2.265 -10.362 1.00 2.07 H new ATOM 0 HG23 THR A 346 108.668 -1.777 -10.761 1.00 2.07 H new ATOM 446 N PRO A 347 109.839 -6.275 -9.064 1.00 2.03 N ATOM 447 CA PRO A 347 110.020 -7.488 -8.232 1.00 1.99 C ATOM 448 C PRO A 347 109.800 -7.149 -6.756 1.00 1.79 C ATOM 449 O PRO A 347 109.234 -7.923 -6.008 1.00 1.68 O ATOM 450 CB PRO A 347 111.471 -7.906 -8.484 1.00 2.25 C ATOM 451 CG PRO A 347 112.126 -6.733 -9.149 1.00 2.38 C ATOM 452 CD PRO A 347 111.043 -5.936 -9.823 1.00 2.29 C ATOM 0 HA PRO A 347 109.315 -8.281 -8.479 1.00 1.99 H new ATOM 0 HB2 PRO A 347 111.973 -8.156 -7.550 1.00 2.25 H new ATOM 0 HB3 PRO A 347 111.518 -8.791 -9.118 1.00 2.25 H new ATOM 0 HG2 PRO A 347 112.653 -6.122 -8.417 1.00 2.38 H new ATOM 0 HG3 PRO A 347 112.866 -7.068 -9.876 1.00 2.38 H new ATOM 0 HD2 PRO A 347 111.251 -4.867 -9.787 1.00 2.29 H new ATOM 0 HD3 PRO A 347 110.943 -6.206 -10.874 1.00 2.29 H new ATOM 460 N GLU A 348 110.214 -5.984 -6.338 1.00 1.76 N ATOM 461 CA GLU A 348 109.997 -5.580 -4.919 1.00 1.64 C ATOM 462 C GLU A 348 108.499 -5.471 -4.626 1.00 1.41 C ATOM 463 O GLU A 348 108.038 -5.814 -3.558 1.00 1.31 O ATOM 464 CB GLU A 348 110.670 -4.213 -4.792 1.00 1.72 C ATOM 465 CG GLU A 348 112.177 -4.363 -5.009 1.00 2.14 C ATOM 466 CD GLU A 348 112.858 -3.007 -4.814 1.00 2.49 C ATOM 467 OE1 GLU A 348 112.150 -2.021 -4.695 1.00 3.25 O ATOM 468 OE2 GLU A 348 114.078 -2.978 -4.787 1.00 2.49 O ATOM 0 H GLU A 348 110.693 -5.294 -6.917 1.00 1.76 H new ATOM 0 HA GLU A 348 110.407 -6.303 -4.214 1.00 1.64 H new ATOM 0 HB2 GLU A 348 110.254 -3.522 -5.525 1.00 1.72 H new ATOM 0 HB3 GLU A 348 110.474 -3.790 -3.807 1.00 1.72 H new ATOM 0 HG2 GLU A 348 112.585 -5.091 -4.308 1.00 2.14 H new ATOM 0 HG3 GLU A 348 112.375 -4.740 -6.012 1.00 2.14 H new ATOM 475 N GLY A 349 107.731 -5.018 -5.578 1.00 1.42 N ATOM 476 CA GLY A 349 106.260 -4.914 -5.362 1.00 1.30 C ATOM 477 C GLY A 349 105.696 -6.295 -5.022 1.00 1.23 C ATOM 478 O GLY A 349 104.791 -6.426 -4.222 1.00 1.23 O ATOM 0 H GLY A 349 108.058 -4.715 -6.496 1.00 1.42 H new ATOM 0 HA2 GLY A 349 106.049 -4.214 -4.554 1.00 1.30 H new ATOM 0 HA3 GLY A 349 105.777 -4.522 -6.257 1.00 1.30 H new ATOM 482 N ARG A 350 106.325 -7.333 -5.499 1.00 1.19 N ATOM 483 CA ARG A 350 105.927 -8.702 -5.062 1.00 1.15 C ATOM 484 C ARG A 350 106.451 -8.959 -3.655 1.00 1.06 C ATOM 485 O ARG A 350 105.796 -9.567 -2.837 1.00 0.94 O ATOM 486 CB ARG A 350 106.586 -9.649 -6.062 1.00 1.18 C ATOM 487 CG ARG A 350 106.334 -9.136 -7.476 1.00 1.81 C ATOM 488 CD ARG A 350 106.857 -10.154 -8.492 1.00 2.33 C ATOM 489 NE ARG A 350 108.296 -10.331 -8.153 1.00 2.77 N ATOM 490 CZ ARG A 350 109.015 -11.225 -8.780 1.00 3.16 C ATOM 491 NH1 ARG A 350 108.476 -11.969 -9.709 1.00 3.46 N ATOM 492 NH2 ARG A 350 110.276 -11.374 -8.477 1.00 3.62 N ATOM 0 H ARG A 350 107.093 -7.294 -6.169 1.00 1.19 H new ATOM 0 HA ARG A 350 104.846 -8.836 -5.037 1.00 1.15 H new ATOM 0 HB2 ARG A 350 107.657 -9.712 -5.870 1.00 1.18 H new ATOM 0 HB3 ARG A 350 106.182 -10.655 -5.949 1.00 1.18 H new ATOM 0 HG2 ARG A 350 105.268 -8.970 -7.629 1.00 1.81 H new ATOM 0 HG3 ARG A 350 106.830 -8.176 -7.619 1.00 1.81 H new ATOM 0 HD2 ARG A 350 106.316 -11.097 -8.420 1.00 2.33 H new ATOM 0 HD3 ARG A 350 106.733 -9.792 -9.513 1.00 2.33 H new ATOM 0 HE ARG A 350 108.722 -9.753 -7.429 1.00 2.77 H new ATOM 0 HH11 ARG A 350 107.491 -11.853 -9.947 1.00 3.46 H new ATOM 0 HH12 ARG A 350 109.040 -12.665 -10.196 1.00 3.46 H new ATOM 0 HH21 ARG A 350 110.698 -10.794 -7.752 1.00 3.62 H new ATOM 0 HH22 ARG A 350 110.839 -12.071 -8.965 1.00 3.62 H new ATOM 506 N SER A 351 107.604 -8.445 -3.349 1.00 1.15 N ATOM 507 CA SER A 351 108.133 -8.610 -1.966 1.00 1.10 C ATOM 508 C SER A 351 107.101 -8.102 -0.956 1.00 0.97 C ATOM 509 O SER A 351 106.781 -8.768 0.006 1.00 0.87 O ATOM 510 CB SER A 351 109.397 -7.753 -1.920 1.00 1.25 C ATOM 511 OG SER A 351 110.080 -7.993 -0.699 1.00 2.40 O ATOM 0 H SER A 351 108.202 -7.921 -3.988 1.00 1.15 H new ATOM 0 HA SER A 351 108.342 -9.651 -1.719 1.00 1.10 H new ATOM 0 HB2 SER A 351 110.043 -7.991 -2.765 1.00 1.25 H new ATOM 0 HB3 SER A 351 109.138 -6.698 -2.004 1.00 1.25 H new ATOM 0 HG SER A 351 110.887 -8.520 -0.874 1.00 2.40 H new ATOM 517 N ILE A 352 106.546 -6.946 -1.189 1.00 1.00 N ATOM 518 CA ILE A 352 105.501 -6.414 -0.269 1.00 0.93 C ATOM 519 C ILE A 352 104.245 -7.304 -0.285 1.00 0.80 C ATOM 520 O ILE A 352 103.736 -7.678 0.756 1.00 0.70 O ATOM 521 CB ILE A 352 105.219 -5.008 -0.801 1.00 1.08 C ATOM 522 CG1 ILE A 352 106.288 -4.060 -0.254 1.00 1.16 C ATOM 523 CG2 ILE A 352 103.834 -4.532 -0.360 1.00 1.16 C ATOM 524 CD1 ILE A 352 106.215 -2.721 -0.982 1.00 1.39 C ATOM 0 H ILE A 352 106.772 -6.344 -1.980 1.00 1.00 H new ATOM 0 HA ILE A 352 105.821 -6.397 0.773 1.00 0.93 H new ATOM 0 HB ILE A 352 105.244 -5.021 -1.891 1.00 1.08 H new ATOM 0 HG12 ILE A 352 106.141 -3.911 0.816 1.00 1.16 H new ATOM 0 HG13 ILE A 352 107.277 -4.500 -0.382 1.00 1.16 H new ATOM 0 HG21 ILE A 352 103.653 -3.530 -0.749 1.00 1.16 H new ATOM 0 HG22 ILE A 352 103.075 -5.213 -0.745 1.00 1.16 H new ATOM 0 HG23 ILE A 352 103.785 -4.513 0.729 1.00 1.16 H new ATOM 0 HD11 ILE A 352 106.979 -2.050 -0.588 1.00 1.39 H new ATOM 0 HD12 ILE A 352 106.384 -2.877 -2.048 1.00 1.39 H new ATOM 0 HD13 ILE A 352 105.231 -2.278 -0.831 1.00 1.39 H new ATOM 536 N VAL A 353 103.735 -7.648 -1.441 1.00 0.86 N ATOM 537 CA VAL A 353 102.510 -8.511 -1.480 1.00 0.82 C ATOM 538 C VAL A 353 102.743 -9.800 -0.682 1.00 0.77 C ATOM 539 O VAL A 353 101.886 -10.254 0.051 1.00 0.77 O ATOM 540 CB VAL A 353 102.289 -8.837 -2.958 1.00 0.97 C ATOM 541 CG1 VAL A 353 101.187 -9.891 -3.087 1.00 1.18 C ATOM 542 CG2 VAL A 353 101.863 -7.571 -3.705 1.00 1.10 C ATOM 0 H VAL A 353 104.107 -7.374 -2.350 1.00 0.86 H new ATOM 0 HA VAL A 353 101.647 -8.011 -1.040 1.00 0.82 H new ATOM 0 HB VAL A 353 103.216 -9.219 -3.386 1.00 0.97 H new ATOM 0 HG11 VAL A 353 101.028 -10.124 -4.140 1.00 1.18 H new ATOM 0 HG12 VAL A 353 101.484 -10.795 -2.556 1.00 1.18 H new ATOM 0 HG13 VAL A 353 100.262 -9.505 -2.658 1.00 1.18 H new ATOM 0 HG21 VAL A 353 101.706 -7.805 -4.758 1.00 1.10 H new ATOM 0 HG22 VAL A 353 100.936 -7.190 -3.276 1.00 1.10 H new ATOM 0 HG23 VAL A 353 102.643 -6.815 -3.614 1.00 1.10 H new ATOM 552 N ILE A 354 103.957 -10.271 -0.660 1.00 0.79 N ATOM 553 CA ILE A 354 104.309 -11.389 0.263 1.00 0.84 C ATOM 554 C ILE A 354 104.268 -10.913 1.713 1.00 0.72 C ATOM 555 O ILE A 354 103.817 -11.614 2.592 1.00 0.77 O ATOM 556 CB ILE A 354 105.729 -11.776 -0.122 1.00 0.97 C ATOM 557 CG1 ILE A 354 105.754 -12.222 -1.587 1.00 1.21 C ATOM 558 CG2 ILE A 354 106.210 -12.916 0.777 1.00 1.11 C ATOM 559 CD1 ILE A 354 107.192 -12.200 -2.106 1.00 1.36 C ATOM 0 H ILE A 354 104.723 -9.931 -1.241 1.00 0.79 H new ATOM 0 HA ILE A 354 103.614 -12.225 0.182 1.00 0.84 H new ATOM 0 HB ILE A 354 106.390 -10.918 0.005 1.00 0.97 H new ATOM 0 HG12 ILE A 354 105.339 -13.226 -1.679 1.00 1.21 H new ATOM 0 HG13 ILE A 354 105.129 -11.562 -2.189 1.00 1.21 H new ATOM 0 HG21 ILE A 354 107.227 -13.193 0.501 1.00 1.11 H new ATOM 0 HG22 ILE A 354 106.192 -12.591 1.817 1.00 1.11 H new ATOM 0 HG23 ILE A 354 105.554 -13.778 0.655 1.00 1.11 H new ATOM 0 HD11 ILE A 354 107.207 -12.518 -3.149 1.00 1.36 H new ATOM 0 HD12 ILE A 354 107.591 -11.189 -2.029 1.00 1.36 H new ATOM 0 HD13 ILE A 354 107.804 -12.878 -1.511 1.00 1.36 H new ATOM 571 N LEU A 355 104.845 -9.784 1.986 1.00 0.63 N ATOM 572 CA LEU A 355 104.957 -9.333 3.402 1.00 0.62 C ATOM 573 C LEU A 355 103.617 -9.484 4.125 1.00 0.55 C ATOM 574 O LEU A 355 103.518 -10.147 5.137 1.00 0.61 O ATOM 575 CB LEU A 355 105.326 -7.858 3.308 1.00 0.64 C ATOM 576 CG LEU A 355 105.381 -7.255 4.712 1.00 0.73 C ATOM 577 CD1 LEU A 355 106.482 -7.941 5.520 1.00 1.14 C ATOM 578 CD2 LEU A 355 105.680 -5.757 4.614 1.00 1.15 C ATOM 0 H LEU A 355 105.245 -9.151 1.294 1.00 0.63 H new ATOM 0 HA LEU A 355 105.689 -9.918 3.959 1.00 0.62 H new ATOM 0 HB2 LEU A 355 106.291 -7.744 2.814 1.00 0.64 H new ATOM 0 HB3 LEU A 355 104.593 -7.327 2.701 1.00 0.64 H new ATOM 0 HG LEU A 355 104.421 -7.403 5.207 1.00 0.73 H new ATOM 0 HD11 LEU A 355 106.521 -7.511 6.521 1.00 1.14 H new ATOM 0 HD12 LEU A 355 106.270 -9.008 5.592 1.00 1.14 H new ATOM 0 HD13 LEU A 355 107.442 -7.794 5.025 1.00 1.14 H new ATOM 0 HD21 LEU A 355 105.719 -5.328 5.615 1.00 1.15 H new ATOM 0 HD22 LEU A 355 106.639 -5.609 4.118 1.00 1.15 H new ATOM 0 HD23 LEU A 355 104.895 -5.266 4.039 1.00 1.15 H new ATOM 590 N ALA A 356 102.572 -8.926 3.585 1.00 0.52 N ATOM 591 CA ALA A 356 101.238 -9.102 4.225 1.00 0.54 C ATOM 592 C ALA A 356 100.831 -10.576 4.170 1.00 0.53 C ATOM 593 O ALA A 356 100.176 -11.091 5.058 1.00 0.57 O ATOM 594 CB ALA A 356 100.278 -8.245 3.398 1.00 0.61 C ATOM 0 H ALA A 356 102.581 -8.360 2.736 1.00 0.52 H new ATOM 0 HA ALA A 356 101.236 -8.805 5.274 1.00 0.54 H new ATOM 0 HB1 ALA A 356 99.272 -8.324 3.810 1.00 0.61 H new ATOM 0 HB2 ALA A 356 100.601 -7.205 3.428 1.00 0.61 H new ATOM 0 HB3 ALA A 356 100.275 -8.595 2.366 1.00 0.61 H new ATOM 600 N LYS A 357 101.136 -11.243 3.095 1.00 0.57 N ATOM 601 CA LYS A 357 100.670 -12.649 2.959 1.00 0.68 C ATOM 602 C LYS A 357 101.211 -13.515 4.101 1.00 0.79 C ATOM 603 O LYS A 357 100.474 -14.209 4.764 1.00 0.93 O ATOM 604 CB LYS A 357 101.218 -13.127 1.622 1.00 0.88 C ATOM 605 CG LYS A 357 100.340 -14.265 1.120 1.00 0.97 C ATOM 606 CD LYS A 357 99.491 -13.766 -0.050 1.00 1.16 C ATOM 607 CE LYS A 357 98.807 -12.452 0.342 1.00 0.90 C ATOM 608 NZ LYS A 357 97.768 -12.230 -0.703 1.00 1.15 N ATOM 0 H LYS A 357 101.681 -10.881 2.313 1.00 0.57 H new ATOM 0 HA LYS A 357 99.583 -12.719 3.003 1.00 0.68 H new ATOM 0 HB2 LYS A 357 101.227 -12.309 0.902 1.00 0.88 H new ATOM 0 HB3 LYS A 357 102.248 -13.464 1.734 1.00 0.88 H new ATOM 0 HG2 LYS A 357 100.958 -15.105 0.804 1.00 0.97 H new ATOM 0 HG3 LYS A 357 99.698 -14.626 1.923 1.00 0.97 H new ATOM 0 HD2 LYS A 357 100.117 -13.615 -0.929 1.00 1.16 H new ATOM 0 HD3 LYS A 357 98.743 -14.513 -0.316 1.00 1.16 H new ATOM 0 HE2 LYS A 357 98.360 -12.520 1.334 1.00 0.90 H new ATOM 0 HE3 LYS A 357 99.521 -11.629 0.370 1.00 0.90 H new ATOM 0 HZ1 LYS A 357 97.314 -11.307 -0.551 1.00 1.15 H new ATOM 0 HZ2 LYS A 357 98.212 -12.247 -1.643 1.00 1.15 H new ATOM 0 HZ3 LYS A 357 97.051 -12.982 -0.645 1.00 1.15 H new ATOM 622 N GLN A 358 102.488 -13.489 4.343 1.00 0.80 N ATOM 623 CA GLN A 358 103.035 -14.321 5.449 1.00 1.01 C ATOM 624 C GLN A 358 102.493 -13.822 6.792 1.00 1.05 C ATOM 625 O GLN A 358 102.204 -14.596 7.682 1.00 1.25 O ATOM 626 CB GLN A 358 104.553 -14.147 5.370 1.00 1.03 C ATOM 627 CG GLN A 358 104.919 -12.689 5.643 1.00 0.99 C ATOM 628 CD GLN A 358 106.421 -12.491 5.434 1.00 1.21 C ATOM 629 OE1 GLN A 358 106.875 -12.337 4.317 1.00 1.62 O ATOM 630 NE2 GLN A 358 107.217 -12.491 6.467 1.00 1.90 N ATOM 0 H GLN A 358 103.173 -12.934 3.830 1.00 0.80 H new ATOM 0 HA GLN A 358 102.751 -15.370 5.363 1.00 1.01 H new ATOM 0 HB2 GLN A 358 105.041 -14.797 6.096 1.00 1.03 H new ATOM 0 HB3 GLN A 358 104.912 -14.444 4.385 1.00 1.03 H new ATOM 0 HG2 GLN A 358 104.359 -12.032 4.978 1.00 0.99 H new ATOM 0 HG3 GLN A 358 104.644 -12.419 6.663 1.00 0.99 H new ATOM 0 HE21 GLN A 358 106.836 -12.620 7.404 1.00 1.90 H new ATOM 0 HE22 GLN A 358 108.220 -12.362 6.338 1.00 1.90 H new ATOM 639 N ARG A 359 102.388 -12.529 6.957 1.00 0.93 N ATOM 640 CA ARG A 359 101.906 -11.978 8.257 1.00 1.10 C ATOM 641 C ARG A 359 100.405 -12.237 8.456 1.00 1.09 C ATOM 642 O ARG A 359 99.967 -12.552 9.544 1.00 1.55 O ATOM 643 CB ARG A 359 102.172 -10.473 8.172 1.00 1.08 C ATOM 644 CG ARG A 359 103.670 -10.220 7.992 1.00 1.26 C ATOM 645 CD ARG A 359 104.427 -10.712 9.229 1.00 1.27 C ATOM 646 NE ARG A 359 103.961 -9.835 10.340 1.00 1.47 N ATOM 647 CZ ARG A 359 104.644 -9.761 11.451 1.00 1.98 C ATOM 648 NH1 ARG A 359 105.741 -10.455 11.597 1.00 2.63 N ATOM 649 NH2 ARG A 359 104.230 -8.991 12.419 1.00 2.38 N ATOM 0 H ARG A 359 102.615 -11.832 6.248 1.00 0.93 H new ATOM 0 HA ARG A 359 102.413 -12.448 9.099 1.00 1.10 H new ATOM 0 HB2 ARG A 359 101.619 -10.043 7.337 1.00 1.08 H new ATOM 0 HB3 ARG A 359 101.817 -9.980 9.077 1.00 1.08 H new ATOM 0 HG2 ARG A 359 104.032 -10.736 7.103 1.00 1.26 H new ATOM 0 HG3 ARG A 359 103.854 -9.156 7.840 1.00 1.26 H new ATOM 0 HD2 ARG A 359 104.208 -11.760 9.435 1.00 1.27 H new ATOM 0 HD3 ARG A 359 105.505 -10.633 9.089 1.00 1.27 H new ATOM 0 HE ARG A 359 103.105 -9.290 10.233 1.00 1.47 H new ATOM 0 HH11 ARG A 359 106.067 -11.058 10.842 1.00 2.63 H new ATOM 0 HH12 ARG A 359 106.271 -10.394 12.466 1.00 2.63 H new ATOM 0 HH21 ARG A 359 103.374 -8.448 12.308 1.00 2.38 H new ATOM 0 HH22 ARG A 359 104.762 -8.932 13.287 1.00 2.38 H new ATOM 663 N PHE A 360 99.600 -12.022 7.445 1.00 0.70 N ATOM 664 CA PHE A 360 98.126 -12.165 7.635 1.00 0.74 C ATOM 665 C PHE A 360 97.588 -13.301 6.774 1.00 0.74 C ATOM 666 O PHE A 360 96.474 -13.755 6.944 1.00 1.09 O ATOM 667 CB PHE A 360 97.539 -10.823 7.206 1.00 0.85 C ATOM 668 CG PHE A 360 98.039 -9.747 8.138 1.00 1.28 C ATOM 669 CD1 PHE A 360 97.848 -9.879 9.521 1.00 1.78 C ATOM 670 CD2 PHE A 360 98.697 -8.621 7.626 1.00 2.03 C ATOM 671 CE1 PHE A 360 98.315 -8.886 10.392 1.00 2.74 C ATOM 672 CE2 PHE A 360 99.164 -7.626 8.497 1.00 3.03 C ATOM 673 CZ PHE A 360 98.973 -7.758 9.880 1.00 3.32 C ATOM 0 H PHE A 360 99.897 -11.756 6.506 1.00 0.70 H new ATOM 0 HA PHE A 360 97.862 -12.408 8.664 1.00 0.74 H new ATOM 0 HB2 PHE A 360 97.828 -10.596 6.180 1.00 0.85 H new ATOM 0 HB3 PHE A 360 96.450 -10.864 7.228 1.00 0.85 H new ATOM 0 HD1 PHE A 360 97.340 -10.747 9.915 1.00 1.78 H new ATOM 0 HD2 PHE A 360 98.845 -8.519 6.561 1.00 2.03 H new ATOM 0 HE1 PHE A 360 98.168 -8.989 11.457 1.00 2.74 H new ATOM 0 HE2 PHE A 360 99.671 -6.758 8.103 1.00 3.03 H new ATOM 0 HZ PHE A 360 99.332 -6.991 10.551 1.00 3.32 H new ATOM 683 N ASN A 361 98.366 -13.747 5.834 1.00 0.72 N ATOM 684 CA ASN A 361 97.900 -14.839 4.936 1.00 0.77 C ATOM 685 C ASN A 361 96.654 -14.396 4.180 1.00 0.91 C ATOM 686 O ASN A 361 95.643 -15.070 4.156 1.00 1.34 O ATOM 687 CB ASN A 361 97.592 -16.003 5.872 1.00 0.79 C ATOM 688 CG ASN A 361 97.373 -17.277 5.054 1.00 1.27 C ATOM 689 OD1 ASN A 361 96.256 -17.724 4.889 1.00 1.68 O ATOM 690 ND2 ASN A 361 98.402 -17.885 4.529 1.00 1.90 N ATOM 0 H ASN A 361 99.308 -13.403 5.646 1.00 0.72 H new ATOM 0 HA ASN A 361 98.639 -15.112 4.183 1.00 0.77 H new ATOM 0 HB2 ASN A 361 98.414 -16.146 6.573 1.00 0.79 H new ATOM 0 HB3 ASN A 361 96.704 -15.782 6.463 1.00 0.79 H new ATOM 0 HD21 ASN A 361 98.267 -18.735 3.981 1.00 1.90 H new ATOM 0 HD22 ASN A 361 99.341 -17.510 4.667 1.00 1.90 H new ATOM 697 N LEU A 362 96.727 -13.247 3.583 1.00 0.88 N ATOM 698 CA LEU A 362 95.561 -12.702 2.838 1.00 1.13 C ATOM 699 C LEU A 362 95.692 -13.050 1.351 1.00 1.12 C ATOM 700 O LEU A 362 96.634 -13.697 0.942 1.00 1.73 O ATOM 701 CB LEU A 362 95.646 -11.192 3.053 1.00 1.68 C ATOM 702 CG LEU A 362 95.910 -10.911 4.534 1.00 2.21 C ATOM 703 CD1 LEU A 362 96.138 -9.412 4.738 1.00 2.65 C ATOM 704 CD2 LEU A 362 94.699 -11.358 5.355 1.00 2.80 C ATOM 0 H LEU A 362 97.555 -12.652 3.578 1.00 0.88 H new ATOM 0 HA LEU A 362 94.608 -13.109 3.176 1.00 1.13 H new ATOM 0 HB2 LEU A 362 96.444 -10.770 2.442 1.00 1.68 H new ATOM 0 HB3 LEU A 362 94.718 -10.715 2.739 1.00 1.68 H new ATOM 0 HG LEU A 362 96.795 -11.458 4.857 1.00 2.21 H new ATOM 0 HD11 LEU A 362 96.326 -9.213 5.793 1.00 2.65 H new ATOM 0 HD12 LEU A 362 96.998 -9.091 4.149 1.00 2.65 H new ATOM 0 HD13 LEU A 362 95.253 -8.862 4.417 1.00 2.65 H new ATOM 0 HD21 LEU A 362 94.882 -11.160 6.411 1.00 2.80 H new ATOM 0 HD22 LEU A 362 93.816 -10.807 5.030 1.00 2.80 H new ATOM 0 HD23 LEU A 362 94.535 -12.426 5.209 1.00 2.80 H new ATOM 716 N ARG A 363 94.765 -12.624 0.539 1.00 1.10 N ATOM 717 CA ARG A 363 94.863 -12.932 -0.916 1.00 1.09 C ATOM 718 C ARG A 363 94.978 -11.652 -1.737 1.00 0.86 C ATOM 719 O ARG A 363 94.406 -10.632 -1.408 1.00 1.03 O ATOM 720 CB ARG A 363 93.575 -13.675 -1.259 1.00 1.21 C ATOM 721 CG ARG A 363 93.708 -15.129 -0.818 1.00 2.11 C ATOM 722 CD ARG A 363 92.416 -15.884 -1.138 1.00 2.74 C ATOM 723 NE ARG A 363 92.375 -15.965 -2.624 1.00 3.36 N ATOM 724 CZ ARG A 363 91.443 -16.661 -3.220 1.00 3.92 C ATOM 725 NH1 ARG A 363 90.541 -17.292 -2.516 1.00 4.21 N ATOM 726 NH2 ARG A 363 91.413 -16.727 -4.523 1.00 4.40 N ATOM 0 H ARG A 363 93.949 -12.079 0.817 1.00 1.10 H new ATOM 0 HA ARG A 363 95.749 -13.526 -1.142 1.00 1.09 H new ATOM 0 HB2 ARG A 363 92.726 -13.207 -0.761 1.00 1.21 H new ATOM 0 HB3 ARG A 363 93.384 -13.623 -2.331 1.00 1.21 H new ATOM 0 HG2 ARG A 363 94.550 -15.598 -1.327 1.00 2.11 H new ATOM 0 HG3 ARG A 363 93.914 -15.178 0.251 1.00 2.11 H new ATOM 0 HD2 ARG A 363 92.418 -16.877 -0.689 1.00 2.74 H new ATOM 0 HD3 ARG A 363 91.545 -15.359 -0.747 1.00 2.74 H new ATOM 0 HE ARG A 363 93.077 -15.475 -3.179 1.00 3.36 H new ATOM 0 HH11 ARG A 363 90.563 -17.242 -1.497 1.00 4.21 H new ATOM 0 HH12 ARG A 363 89.815 -17.834 -2.985 1.00 4.21 H new ATOM 0 HH21 ARG A 363 92.116 -16.236 -5.075 1.00 4.40 H new ATOM 0 HH22 ARG A 363 90.686 -17.270 -4.990 1.00 4.40 H new ATOM 740 N GLU A 364 95.647 -11.729 -2.851 1.00 0.74 N ATOM 741 CA GLU A 364 95.724 -10.549 -3.758 1.00 0.86 C ATOM 742 C GLU A 364 94.314 -10.118 -4.157 1.00 1.02 C ATOM 743 O GLU A 364 93.412 -10.929 -4.240 1.00 0.95 O ATOM 744 CB GLU A 364 96.505 -11.035 -4.980 1.00 0.96 C ATOM 745 CG GLU A 364 97.909 -11.466 -4.551 1.00 1.26 C ATOM 746 CD GLU A 364 98.713 -11.885 -5.783 1.00 1.69 C ATOM 747 OE1 GLU A 364 98.122 -11.983 -6.846 1.00 2.21 O ATOM 748 OE2 GLU A 364 99.906 -12.098 -5.644 1.00 2.24 O ATOM 0 H GLU A 364 96.145 -12.558 -3.175 1.00 0.74 H new ATOM 0 HA GLU A 364 96.206 -9.691 -3.290 1.00 0.86 H new ATOM 0 HB2 GLU A 364 95.984 -11.870 -5.449 1.00 0.96 H new ATOM 0 HB3 GLU A 364 96.568 -10.241 -5.724 1.00 0.96 H new ATOM 0 HG2 GLU A 364 98.411 -10.646 -4.037 1.00 1.26 H new ATOM 0 HG3 GLU A 364 97.847 -12.294 -3.845 1.00 1.26 H new ATOM 755 N ARG A 365 94.101 -8.853 -4.397 1.00 1.36 N ATOM 756 CA ARG A 365 92.734 -8.404 -4.777 1.00 1.73 C ATOM 757 C ARG A 365 92.629 -8.256 -6.295 1.00 1.59 C ATOM 758 O ARG A 365 93.352 -7.493 -6.906 1.00 1.56 O ATOM 759 CB ARG A 365 92.548 -7.053 -4.088 1.00 1.83 C ATOM 760 CG ARG A 365 92.485 -7.259 -2.574 1.00 2.15 C ATOM 761 CD ARG A 365 92.146 -5.931 -1.892 1.00 2.41 C ATOM 762 NE ARG A 365 92.195 -6.227 -0.433 1.00 3.18 N ATOM 763 CZ ARG A 365 91.571 -5.456 0.417 1.00 3.60 C ATOM 764 NH1 ARG A 365 90.914 -4.407 -0.003 1.00 4.16 N ATOM 765 NH2 ARG A 365 91.605 -5.731 1.691 1.00 3.72 N ATOM 0 H ARG A 365 94.807 -8.119 -4.347 1.00 1.36 H new ATOM 0 HA ARG A 365 91.968 -9.119 -4.475 1.00 1.73 H new ATOM 0 HB2 ARG A 365 93.373 -6.387 -4.341 1.00 1.83 H new ATOM 0 HB3 ARG A 365 91.633 -6.576 -4.440 1.00 1.83 H new ATOM 0 HG2 ARG A 365 91.732 -8.008 -2.329 1.00 2.15 H new ATOM 0 HG3 ARG A 365 93.440 -7.635 -2.207 1.00 2.15 H new ATOM 0 HD2 ARG A 365 92.861 -5.154 -2.162 1.00 2.41 H new ATOM 0 HD3 ARG A 365 91.160 -5.574 -2.190 1.00 2.41 H new ATOM 0 HE ARG A 365 92.718 -7.035 -0.096 1.00 3.18 H new ATOM 0 HH11 ARG A 365 90.887 -4.187 -0.999 1.00 4.16 H new ATOM 0 HH12 ARG A 365 90.428 -3.808 0.665 1.00 4.16 H new ATOM 0 HH21 ARG A 365 92.118 -6.547 2.023 1.00 3.72 H new ATOM 0 HH22 ARG A 365 91.118 -5.130 2.356 1.00 3.72 H new ATOM 779 N ASP A 366 91.691 -8.932 -6.899 1.00 1.70 N ATOM 780 CA ASP A 366 91.493 -8.776 -8.365 1.00 1.93 C ATOM 781 C ASP A 366 90.893 -7.403 -8.655 1.00 2.04 C ATOM 782 O ASP A 366 89.787 -7.097 -8.253 1.00 2.65 O ATOM 783 CB ASP A 366 90.521 -9.890 -8.755 1.00 2.62 C ATOM 784 CG ASP A 366 91.216 -11.246 -8.615 1.00 2.50 C ATOM 785 OD1 ASP A 366 92.423 -11.255 -8.438 1.00 2.86 O ATOM 786 OD2 ASP A 366 90.529 -12.252 -8.687 1.00 2.50 O ATOM 0 H ASP A 366 91.055 -9.584 -6.441 1.00 1.70 H new ATOM 0 HA ASP A 366 92.424 -8.845 -8.927 1.00 1.93 H new ATOM 0 HB2 ASP A 366 89.637 -9.855 -8.118 1.00 2.62 H new ATOM 0 HB3 ASP A 366 90.181 -9.748 -9.781 1.00 2.62 H new ATOM 791 N VAL A 367 91.634 -6.557 -9.310 1.00 1.75 N ATOM 792 CA VAL A 367 91.135 -5.183 -9.580 1.00 2.31 C ATOM 793 C VAL A 367 90.004 -5.215 -10.613 1.00 2.53 C ATOM 794 O VAL A 367 89.025 -4.510 -10.491 1.00 3.04 O ATOM 795 CB VAL A 367 92.352 -4.435 -10.127 1.00 2.28 C ATOM 796 CG1 VAL A 367 91.919 -3.080 -10.681 1.00 2.89 C ATOM 797 CG2 VAL A 367 93.368 -4.222 -9.003 1.00 2.52 C ATOM 0 H VAL A 367 92.566 -6.759 -9.671 1.00 1.75 H new ATOM 0 HA VAL A 367 90.724 -4.706 -8.691 1.00 2.31 H new ATOM 0 HB VAL A 367 92.806 -5.023 -10.925 1.00 2.28 H new ATOM 0 HG11 VAL A 367 92.789 -2.551 -11.069 1.00 2.89 H new ATOM 0 HG12 VAL A 367 91.197 -3.229 -11.484 1.00 2.89 H new ATOM 0 HG13 VAL A 367 91.461 -2.491 -9.886 1.00 2.89 H new ATOM 0 HG21 VAL A 367 94.235 -3.689 -9.393 1.00 2.52 H new ATOM 0 HG22 VAL A 367 92.911 -3.637 -8.205 1.00 2.52 H new ATOM 0 HG23 VAL A 367 93.683 -5.188 -8.609 1.00 2.52 H new ATOM 807 N GLN A 368 90.162 -5.971 -11.666 1.00 2.20 N ATOM 808 CA GLN A 368 89.126 -5.970 -12.741 1.00 2.40 C ATOM 809 C GLN A 368 87.885 -6.761 -12.312 1.00 2.11 C ATOM 810 O GLN A 368 86.790 -6.492 -12.764 1.00 2.30 O ATOM 811 CB GLN A 368 89.786 -6.625 -13.950 1.00 2.46 C ATOM 812 CG GLN A 368 88.870 -6.460 -15.163 1.00 3.09 C ATOM 813 CD GLN A 368 89.483 -7.172 -16.370 1.00 3.29 C ATOM 814 OE1 GLN A 368 89.673 -8.372 -16.350 1.00 3.32 O ATOM 815 NE2 GLN A 368 89.803 -6.479 -17.428 1.00 3.69 N ATOM 0 H GLN A 368 90.959 -6.586 -11.829 1.00 2.20 H new ATOM 0 HA GLN A 368 88.787 -4.958 -12.963 1.00 2.40 H new ATOM 0 HB2 GLN A 368 90.756 -6.167 -14.145 1.00 2.46 H new ATOM 0 HB3 GLN A 368 89.966 -7.682 -13.755 1.00 2.46 H new ATOM 0 HG2 GLN A 368 87.885 -6.873 -14.946 1.00 3.09 H new ATOM 0 HG3 GLN A 368 88.730 -5.402 -15.385 1.00 3.09 H new ATOM 0 HE21 GLN A 368 89.644 -5.472 -17.445 1.00 3.69 H new ATOM 0 HE22 GLN A 368 90.212 -6.945 -18.238 1.00 3.69 H new ATOM 824 N SER A 369 88.011 -7.611 -11.330 1.00 1.80 N ATOM 825 CA SER A 369 86.791 -8.252 -10.761 1.00 1.87 C ATOM 826 C SER A 369 86.049 -7.233 -9.897 1.00 1.79 C ATOM 827 O SER A 369 84.837 -7.234 -9.818 1.00 2.27 O ATOM 828 CB SER A 369 87.294 -9.420 -9.916 1.00 2.47 C ATOM 829 OG SER A 369 87.895 -8.916 -8.730 1.00 3.05 O ATOM 0 H SER A 369 88.894 -7.887 -10.901 1.00 1.80 H new ATOM 0 HA SER A 369 86.100 -8.598 -11.530 1.00 1.87 H new ATOM 0 HB2 SER A 369 86.468 -10.085 -9.665 1.00 2.47 H new ATOM 0 HB3 SER A 369 88.016 -10.009 -10.482 1.00 2.47 H new ATOM 0 HG SER A 369 88.497 -8.177 -8.957 1.00 3.05 H new ATOM 835 N LEU A 370 86.761 -6.263 -9.398 1.00 1.38 N ATOM 836 CA LEU A 370 86.095 -5.123 -8.713 1.00 1.39 C ATOM 837 C LEU A 370 85.813 -4.009 -9.724 1.00 1.12 C ATOM 838 O LEU A 370 85.472 -2.902 -9.357 1.00 1.30 O ATOM 839 CB LEU A 370 87.110 -4.657 -7.671 1.00 1.54 C ATOM 840 CG LEU A 370 87.543 -5.848 -6.815 1.00 1.39 C ATOM 841 CD1 LEU A 370 88.744 -5.450 -5.956 1.00 1.80 C ATOM 842 CD2 LEU A 370 86.386 -6.269 -5.906 1.00 2.14 C ATOM 0 H LEU A 370 87.779 -6.211 -9.435 1.00 1.38 H new ATOM 0 HA LEU A 370 85.141 -5.397 -8.262 1.00 1.39 H new ATOM 0 HB2 LEU A 370 87.976 -4.215 -8.163 1.00 1.54 H new ATOM 0 HB3 LEU A 370 86.672 -3.883 -7.041 1.00 1.54 H new ATOM 0 HG LEU A 370 87.819 -6.679 -7.464 1.00 1.39 H new ATOM 0 HD11 LEU A 370 89.052 -6.299 -5.346 1.00 1.80 H new ATOM 0 HD12 LEU A 370 89.569 -5.148 -6.601 1.00 1.80 H new ATOM 0 HD13 LEU A 370 88.468 -4.619 -5.307 1.00 1.80 H new ATOM 0 HD21 LEU A 370 86.693 -7.118 -5.295 1.00 2.14 H new ATOM 0 HD22 LEU A 370 86.111 -5.437 -5.258 1.00 2.14 H new ATOM 0 HD23 LEU A 370 85.529 -6.553 -6.516 1.00 2.14 H new ATOM 854 N HIS A 371 86.113 -4.243 -10.977 1.00 1.29 N ATOM 855 CA HIS A 371 86.034 -3.138 -11.973 1.00 1.13 C ATOM 856 C HIS A 371 86.947 -2.006 -11.518 1.00 1.00 C ATOM 857 O HIS A 371 86.744 -0.850 -11.836 1.00 1.35 O ATOM 858 CB HIS A 371 84.577 -2.692 -11.960 1.00 1.54 C ATOM 859 CG HIS A 371 83.809 -3.446 -13.011 1.00 1.50 C ATOM 860 ND1 HIS A 371 82.985 -4.516 -12.700 1.00 1.97 N ATOM 861 CD2 HIS A 371 83.730 -3.296 -14.374 1.00 1.80 C ATOM 862 CE1 HIS A 371 82.450 -4.964 -13.850 1.00 2.10 C ATOM 863 NE2 HIS A 371 82.871 -4.255 -14.901 1.00 1.80 N ATOM 0 H HIS A 371 86.407 -5.146 -11.349 1.00 1.29 H new ATOM 0 HA HIS A 371 86.346 -3.439 -12.973 1.00 1.13 H new ATOM 0 HB2 HIS A 371 84.140 -2.871 -10.978 1.00 1.54 H new ATOM 0 HB3 HIS A 371 84.513 -1.620 -12.147 1.00 1.54 H new ATOM 0 HD2 HIS A 371 84.255 -2.548 -14.949 1.00 1.80 H new ATOM 0 HE1 HIS A 371 81.764 -5.795 -13.916 1.00 2.10 H new ATOM 0 HE2 HIS A 371 82.617 -4.388 -15.880 1.00 1.80 H new ATOM 871 N ALA A 372 87.964 -2.349 -10.790 1.00 0.75 N ATOM 872 CA ALA A 372 88.933 -1.330 -10.306 1.00 0.94 C ATOM 873 C ALA A 372 90.036 -1.112 -11.348 1.00 0.90 C ATOM 874 O ALA A 372 89.915 -1.504 -12.492 1.00 1.04 O ATOM 875 CB ALA A 372 89.513 -1.923 -9.023 1.00 1.12 C ATOM 0 H ALA A 372 88.171 -3.306 -10.504 1.00 0.75 H new ATOM 0 HA ALA A 372 88.467 -0.360 -10.134 1.00 0.94 H new ATOM 0 HB1 ALA A 372 90.241 -1.231 -8.599 1.00 1.12 H new ATOM 0 HB2 ALA A 372 88.711 -2.091 -8.305 1.00 1.12 H new ATOM 0 HB3 ALA A 372 90.002 -2.871 -9.249 1.00 1.12 H new ATOM 881 N THR A 373 91.091 -0.455 -10.961 1.00 0.85 N ATOM 882 CA THR A 373 92.198 -0.155 -11.917 1.00 0.95 C ATOM 883 C THR A 373 93.557 -0.352 -11.241 1.00 0.93 C ATOM 884 O THR A 373 93.762 0.056 -10.121 1.00 0.95 O ATOM 885 CB THR A 373 92.012 1.314 -12.283 1.00 1.32 C ATOM 886 OG1 THR A 373 90.820 1.471 -13.039 1.00 2.11 O ATOM 887 CG2 THR A 373 93.213 1.801 -13.095 1.00 1.90 C ATOM 0 H THR A 373 91.238 -0.108 -10.013 1.00 0.85 H new ATOM 0 HA THR A 373 92.173 -0.810 -12.788 1.00 0.95 H new ATOM 0 HB THR A 373 91.937 1.906 -11.371 1.00 1.32 H new ATOM 0 HG1 THR A 373 90.702 2.416 -13.271 1.00 2.11 H new ATOM 0 HG21 THR A 373 93.075 2.851 -13.354 1.00 1.90 H new ATOM 0 HG22 THR A 373 94.122 1.689 -12.503 1.00 1.90 H new ATOM 0 HG23 THR A 373 93.299 1.210 -14.007 1.00 1.90 H new ATOM 895 N PHE A 374 94.522 -0.838 -11.964 1.00 1.01 N ATOM 896 CA PHE A 374 95.908 -0.897 -11.408 1.00 1.25 C ATOM 897 C PHE A 374 96.642 0.416 -11.715 1.00 1.63 C ATOM 898 O PHE A 374 96.519 0.962 -12.794 1.00 1.61 O ATOM 899 CB PHE A 374 96.595 -2.046 -12.154 1.00 1.33 C ATOM 900 CG PHE A 374 96.018 -3.378 -11.737 1.00 1.63 C ATOM 901 CD1 PHE A 374 96.309 -3.908 -10.471 1.00 1.41 C ATOM 902 CD2 PHE A 374 95.206 -4.095 -12.627 1.00 2.53 C ATOM 903 CE1 PHE A 374 95.785 -5.153 -10.095 1.00 1.89 C ATOM 904 CE2 PHE A 374 94.685 -5.341 -12.252 1.00 3.09 C ATOM 905 CZ PHE A 374 94.975 -5.870 -10.985 1.00 2.72 C ATOM 0 H PHE A 374 94.417 -1.197 -12.913 1.00 1.01 H new ATOM 0 HA PHE A 374 95.909 -1.045 -10.328 1.00 1.25 H new ATOM 0 HB2 PHE A 374 96.473 -1.912 -13.229 1.00 1.33 H new ATOM 0 HB3 PHE A 374 97.666 -2.029 -11.951 1.00 1.33 H new ATOM 0 HD1 PHE A 374 96.937 -3.357 -9.786 1.00 1.41 H new ATOM 0 HD2 PHE A 374 94.982 -3.687 -13.602 1.00 2.53 H new ATOM 0 HE1 PHE A 374 96.006 -5.559 -9.119 1.00 1.89 H new ATOM 0 HE2 PHE A 374 94.060 -5.894 -12.938 1.00 3.09 H new ATOM 0 HZ PHE A 374 94.574 -6.830 -10.696 1.00 2.72 H new ATOM 915 N VAL A 375 97.484 0.867 -10.828 1.00 2.14 N ATOM 916 CA VAL A 375 98.314 2.071 -11.137 1.00 2.61 C ATOM 917 C VAL A 375 99.790 1.672 -11.236 1.00 2.22 C ATOM 918 O VAL A 375 100.388 1.279 -10.255 1.00 1.65 O ATOM 919 CB VAL A 375 98.097 3.023 -9.962 1.00 3.32 C ATOM 920 CG1 VAL A 375 98.644 4.406 -10.320 1.00 4.00 C ATOM 921 CG2 VAL A 375 96.601 3.131 -9.658 1.00 3.65 C ATOM 0 H VAL A 375 97.635 0.458 -9.906 1.00 2.14 H new ATOM 0 HA VAL A 375 98.037 2.532 -12.085 1.00 2.61 H new ATOM 0 HB VAL A 375 98.618 2.640 -9.085 1.00 3.32 H new ATOM 0 HG11 VAL A 375 98.490 5.086 -9.482 1.00 4.00 H new ATOM 0 HG12 VAL A 375 99.710 4.331 -10.535 1.00 4.00 H new ATOM 0 HG13 VAL A 375 98.123 4.787 -11.198 1.00 4.00 H new ATOM 0 HG21 VAL A 375 96.448 3.811 -8.820 1.00 3.65 H new ATOM 0 HG22 VAL A 375 96.078 3.513 -10.535 1.00 3.65 H new ATOM 0 HG23 VAL A 375 96.210 2.146 -9.403 1.00 3.65 H new ATOM 931 N PRO A 376 100.298 1.703 -12.439 1.00 2.87 N ATOM 932 CA PRO A 376 101.685 1.240 -12.698 1.00 2.67 C ATOM 933 C PRO A 376 102.690 1.971 -11.799 1.00 2.48 C ATOM 934 O PRO A 376 102.488 3.104 -11.412 1.00 3.24 O ATOM 935 CB PRO A 376 101.931 1.580 -14.172 1.00 3.84 C ATOM 936 CG PRO A 376 100.782 2.445 -14.595 1.00 4.63 C ATOM 937 CD PRO A 376 99.640 2.169 -13.658 1.00 4.03 C ATOM 0 HA PRO A 376 101.809 0.178 -12.486 1.00 2.67 H new ATOM 0 HB2 PRO A 376 102.879 2.102 -14.299 1.00 3.84 H new ATOM 0 HB3 PRO A 376 101.982 0.675 -14.778 1.00 3.84 H new ATOM 0 HG2 PRO A 376 101.061 3.498 -14.559 1.00 4.63 H new ATOM 0 HG3 PRO A 376 100.496 2.226 -15.624 1.00 4.63 H new ATOM 0 HD2 PRO A 376 99.046 3.065 -13.475 1.00 4.03 H new ATOM 0 HD3 PRO A 376 98.964 1.415 -14.062 1.00 4.03 H new ATOM 945 N PHE A 377 103.790 1.333 -11.503 1.00 2.13 N ATOM 946 CA PHE A 377 104.847 1.981 -10.671 1.00 3.07 C ATOM 947 C PHE A 377 105.896 2.629 -11.576 1.00 3.61 C ATOM 948 O PHE A 377 106.541 1.969 -12.369 1.00 4.10 O ATOM 949 CB PHE A 377 105.461 0.823 -9.873 1.00 3.15 C ATOM 950 CG PHE A 377 106.612 1.316 -9.016 1.00 3.91 C ATOM 951 CD1 PHE A 377 106.824 2.690 -8.834 1.00 4.01 C ATOM 952 CD2 PHE A 377 107.476 0.390 -8.415 1.00 4.73 C ATOM 953 CE1 PHE A 377 107.897 3.137 -8.052 1.00 4.92 C ATOM 954 CE2 PHE A 377 108.550 0.838 -7.634 1.00 5.70 C ATOM 955 CZ PHE A 377 108.760 2.212 -7.453 1.00 5.79 C ATOM 0 H PHE A 377 104.004 0.382 -11.804 1.00 2.13 H new ATOM 0 HA PHE A 377 104.458 2.768 -10.024 1.00 3.07 H new ATOM 0 HB2 PHE A 377 104.700 0.366 -9.241 1.00 3.15 H new ATOM 0 HB3 PHE A 377 105.814 0.050 -10.556 1.00 3.15 H new ATOM 0 HD1 PHE A 377 106.159 3.404 -9.297 1.00 4.01 H new ATOM 0 HD2 PHE A 377 107.314 -0.669 -8.554 1.00 4.73 H new ATOM 0 HE1 PHE A 377 108.058 4.196 -7.911 1.00 4.92 H new ATOM 0 HE2 PHE A 377 109.216 0.124 -7.172 1.00 5.70 H new ATOM 0 HZ PHE A 377 109.588 2.557 -6.851 1.00 5.79 H new ATOM 965 N THR A 378 106.110 3.908 -11.429 1.00 3.85 N ATOM 966 CA THR A 378 107.160 4.586 -12.242 1.00 4.47 C ATOM 967 C THR A 378 108.301 5.047 -11.335 1.00 4.28 C ATOM 968 O THR A 378 108.085 5.446 -10.208 1.00 3.71 O ATOM 969 CB THR A 378 106.457 5.788 -12.876 1.00 4.59 C ATOM 970 OG1 THR A 378 106.223 6.775 -11.882 1.00 4.26 O ATOM 971 CG2 THR A 378 105.125 5.341 -13.480 1.00 5.29 C ATOM 0 H THR A 378 105.604 4.512 -10.782 1.00 3.85 H new ATOM 0 HA THR A 378 107.594 3.928 -12.995 1.00 4.47 H new ATOM 0 HB THR A 378 107.086 6.206 -13.662 1.00 4.59 H new ATOM 0 HG1 THR A 378 105.774 7.547 -12.286 1.00 4.26 H new ATOM 0 HG21 THR A 378 104.625 6.198 -13.932 1.00 5.29 H new ATOM 0 HG22 THR A 378 105.307 4.584 -14.243 1.00 5.29 H new ATOM 0 HG23 THR A 378 104.493 4.923 -12.697 1.00 5.29 H new ATOM 979 N ALA A 379 109.516 4.944 -11.802 1.00 5.01 N ATOM 980 CA ALA A 379 110.682 5.321 -10.954 1.00 5.10 C ATOM 981 C ALA A 379 110.819 6.844 -10.873 1.00 5.05 C ATOM 982 O ALA A 379 111.379 7.375 -9.934 1.00 5.37 O ATOM 983 CB ALA A 379 111.894 4.711 -11.655 1.00 6.13 C ATOM 0 H ALA A 379 109.751 4.614 -12.738 1.00 5.01 H new ATOM 0 HA ALA A 379 110.576 4.962 -9.930 1.00 5.10 H new ATOM 0 HB1 ALA A 379 112.797 4.945 -11.090 1.00 6.13 H new ATOM 0 HB2 ALA A 379 111.773 3.629 -11.715 1.00 6.13 H new ATOM 0 HB3 ALA A 379 111.978 5.123 -12.661 1.00 6.13 H new ATOM 989 N GLN A 380 110.386 7.548 -11.884 1.00 4.87 N ATOM 990 CA GLN A 380 110.578 9.027 -11.888 1.00 4.93 C ATOM 991 C GLN A 380 109.934 9.641 -10.644 1.00 4.05 C ATOM 992 O GLN A 380 110.563 10.373 -9.905 1.00 3.84 O ATOM 993 CB GLN A 380 109.876 9.516 -13.155 1.00 5.65 C ATOM 994 CG GLN A 380 110.567 8.923 -14.383 1.00 6.07 C ATOM 995 CD GLN A 380 109.929 9.490 -15.653 1.00 7.03 C ATOM 996 OE1 GLN A 380 110.216 10.603 -16.046 1.00 7.74 O ATOM 997 NE2 GLN A 380 109.069 8.766 -16.316 1.00 7.22 N ATOM 0 H GLN A 380 109.911 7.166 -12.702 1.00 4.87 H new ATOM 0 HA GLN A 380 111.631 9.309 -11.875 1.00 4.93 H new ATOM 0 HB2 GLN A 380 108.826 9.222 -13.138 1.00 5.65 H new ATOM 0 HB3 GLN A 380 109.902 10.605 -13.201 1.00 5.65 H new ATOM 0 HG2 GLN A 380 111.631 9.157 -14.363 1.00 6.07 H new ATOM 0 HG3 GLN A 380 110.479 7.837 -14.373 1.00 6.07 H new ATOM 0 HE21 GLN A 380 108.828 7.831 -15.986 1.00 7.22 H new ATOM 0 HE22 GLN A 380 108.638 9.135 -17.164 1.00 7.22 H new ATOM 1006 N SER A 381 108.724 9.258 -10.347 1.00 3.64 N ATOM 1007 CA SER A 381 108.087 9.718 -9.081 1.00 3.06 C ATOM 1008 C SER A 381 108.333 8.690 -7.978 1.00 2.42 C ATOM 1009 O SER A 381 108.100 8.946 -6.816 1.00 3.00 O ATOM 1010 CB SER A 381 106.598 9.817 -9.401 1.00 3.49 C ATOM 1011 OG SER A 381 106.331 11.072 -10.014 1.00 3.82 O ATOM 0 H SER A 381 108.148 8.646 -10.926 1.00 3.64 H new ATOM 0 HA SER A 381 108.489 10.669 -8.731 1.00 3.06 H new ATOM 0 HB2 SER A 381 106.302 9.005 -10.065 1.00 3.49 H new ATOM 0 HB3 SER A 381 106.011 9.713 -8.489 1.00 3.49 H new ATOM 0 HG SER A 381 105.376 11.138 -10.222 1.00 3.82 H new ATOM 1017 N ARG A 382 108.752 7.509 -8.347 1.00 1.65 N ATOM 1018 CA ARG A 382 108.954 6.434 -7.335 1.00 1.74 C ATOM 1019 C ARG A 382 107.626 6.113 -6.649 1.00 1.57 C ATOM 1020 O ARG A 382 107.513 6.182 -5.441 1.00 2.08 O ATOM 1021 CB ARG A 382 109.945 7.010 -6.322 1.00 2.53 C ATOM 1022 CG ARG A 382 111.143 7.611 -7.058 1.00 2.69 C ATOM 1023 CD ARG A 382 112.223 7.996 -6.046 1.00 2.89 C ATOM 1024 NE ARG A 382 113.258 8.712 -6.843 1.00 3.36 N ATOM 1025 CZ ARG A 382 114.262 9.297 -6.243 1.00 3.67 C ATOM 1026 NH1 ARG A 382 114.363 9.261 -4.940 1.00 3.72 N ATOM 1027 NH2 ARG A 382 115.167 9.920 -6.947 1.00 4.25 N ATOM 0 H ARG A 382 108.963 7.243 -9.309 1.00 1.65 H new ATOM 0 HA ARG A 382 109.324 5.512 -7.783 1.00 1.74 H new ATOM 0 HB2 ARG A 382 109.458 7.774 -5.716 1.00 2.53 H new ATOM 0 HB3 ARG A 382 110.280 6.228 -5.641 1.00 2.53 H new ATOM 0 HG2 ARG A 382 111.541 6.892 -7.775 1.00 2.69 H new ATOM 0 HG3 ARG A 382 110.832 8.488 -7.625 1.00 2.69 H new ATOM 0 HD2 ARG A 382 111.818 8.634 -5.260 1.00 2.89 H new ATOM 0 HD3 ARG A 382 112.640 7.115 -5.558 1.00 2.89 H new ATOM 0 HE ARG A 382 113.183 8.746 -7.860 1.00 3.36 H new ATOM 0 HH11 ARG A 382 113.657 8.775 -4.387 1.00 3.72 H new ATOM 0 HH12 ARG A 382 115.148 9.719 -4.476 1.00 3.72 H new ATOM 0 HH21 ARG A 382 115.091 9.950 -7.964 1.00 4.25 H new ATOM 0 HH22 ARG A 382 115.951 10.377 -6.481 1.00 4.25 H new ATOM 1041 N MET A 383 106.609 5.783 -7.403 1.00 1.27 N ATOM 1042 CA MET A 383 105.299 5.490 -6.762 1.00 1.19 C ATOM 1043 C MET A 383 104.471 4.522 -7.601 1.00 1.07 C ATOM 1044 O MET A 383 104.482 4.553 -8.816 1.00 1.14 O ATOM 1045 CB MET A 383 104.581 6.833 -6.655 1.00 1.32 C ATOM 1046 CG MET A 383 105.385 7.775 -5.762 1.00 1.51 C ATOM 1047 SD MET A 383 104.357 9.189 -5.299 1.00 2.09 S ATOM 1048 CE MET A 383 103.802 9.612 -6.966 1.00 1.57 C ATOM 0 H MET A 383 106.630 5.705 -8.420 1.00 1.27 H new ATOM 0 HA MET A 383 105.440 5.018 -5.790 1.00 1.19 H new ATOM 0 HB2 MET A 383 104.459 7.271 -7.646 1.00 1.32 H new ATOM 0 HB3 MET A 383 103.582 6.691 -6.244 1.00 1.32 H new ATOM 0 HG2 MET A 383 105.721 7.248 -4.869 1.00 1.51 H new ATOM 0 HG3 MET A 383 106.278 8.117 -6.286 1.00 1.51 H new ATOM 0 HE1 MET A 383 103.907 10.686 -7.123 1.00 1.57 H new ATOM 0 HE2 MET A 383 104.408 9.078 -7.698 1.00 1.57 H new ATOM 0 HE3 MET A 383 102.756 9.328 -7.084 1.00 1.57 H new ATOM 1058 N SER A 384 103.644 3.773 -6.940 1.00 0.97 N ATOM 1059 CA SER A 384 102.661 2.904 -7.633 1.00 1.02 C ATOM 1060 C SER A 384 101.402 2.841 -6.770 1.00 0.93 C ATOM 1061 O SER A 384 101.396 3.320 -5.660 1.00 0.83 O ATOM 1062 CB SER A 384 103.332 1.536 -7.712 1.00 1.23 C ATOM 1063 OG SER A 384 103.211 0.880 -6.457 1.00 1.18 O ATOM 0 H SER A 384 103.607 3.725 -5.922 1.00 0.97 H new ATOM 0 HA SER A 384 102.380 3.260 -8.624 1.00 1.02 H new ATOM 0 HB2 SER A 384 102.869 0.936 -8.495 1.00 1.23 H new ATOM 0 HB3 SER A 384 104.383 1.649 -7.976 1.00 1.23 H new ATOM 0 HG SER A 384 104.075 0.492 -6.206 1.00 1.18 H new ATOM 1069 N GLY A 385 100.332 2.296 -7.260 1.00 1.02 N ATOM 1070 CA GLY A 385 99.098 2.273 -6.427 1.00 1.00 C ATOM 1071 C GLY A 385 97.989 1.527 -7.147 1.00 0.95 C ATOM 1072 O GLY A 385 98.207 0.812 -8.103 1.00 1.13 O ATOM 0 H GLY A 385 100.253 1.871 -8.184 1.00 1.02 H new ATOM 0 HA2 GLY A 385 99.306 1.794 -5.470 1.00 1.00 H new ATOM 0 HA3 GLY A 385 98.778 3.292 -6.210 1.00 1.00 H new ATOM 1076 N ILE A 386 96.798 1.686 -6.669 1.00 0.80 N ATOM 1077 CA ILE A 386 95.640 0.995 -7.276 1.00 0.78 C ATOM 1078 C ILE A 386 94.388 1.834 -7.047 1.00 0.77 C ATOM 1079 O ILE A 386 94.250 2.493 -6.038 1.00 0.80 O ATOM 1080 CB ILE A 386 95.551 -0.332 -6.530 1.00 0.81 C ATOM 1081 CG1 ILE A 386 94.211 -1.000 -6.816 1.00 0.86 C ATOM 1082 CG2 ILE A 386 95.675 -0.093 -5.027 1.00 0.84 C ATOM 1083 CD1 ILE A 386 94.179 -2.334 -6.083 1.00 1.26 C ATOM 0 H ILE A 386 96.573 2.276 -5.868 1.00 0.80 H new ATOM 0 HA ILE A 386 95.739 0.844 -8.351 1.00 0.78 H new ATOM 0 HB ILE A 386 96.362 -0.977 -6.867 1.00 0.81 H new ATOM 0 HG12 ILE A 386 93.391 -0.364 -6.484 1.00 0.86 H new ATOM 0 HG13 ILE A 386 94.083 -1.152 -7.888 1.00 0.86 H new ATOM 0 HG21 ILE A 386 95.611 -1.045 -4.501 1.00 0.84 H new ATOM 0 HG22 ILE A 386 96.635 0.377 -4.811 1.00 0.84 H new ATOM 0 HG23 ILE A 386 94.868 0.561 -4.695 1.00 0.84 H new ATOM 0 HD11 ILE A 386 93.228 -2.831 -6.273 1.00 1.26 H new ATOM 0 HD12 ILE A 386 94.995 -2.964 -6.438 1.00 1.26 H new ATOM 0 HD13 ILE A 386 94.292 -2.164 -5.012 1.00 1.26 H new ATOM 1095 N ASN A 387 93.450 1.761 -7.932 1.00 0.78 N ATOM 1096 CA ASN A 387 92.176 2.492 -7.716 1.00 0.83 C ATOM 1097 C ASN A 387 91.030 1.491 -7.728 1.00 0.92 C ATOM 1098 O ASN A 387 91.018 0.576 -8.517 1.00 0.86 O ATOM 1099 CB ASN A 387 92.051 3.453 -8.902 1.00 0.91 C ATOM 1100 CG ASN A 387 93.396 4.130 -9.159 1.00 1.31 C ATOM 1101 OD1 ASN A 387 94.191 4.371 -8.156 1.00 2.04 O flip ATOM 1102 ND2 ASN A 387 93.729 4.442 -10.285 1.00 1.81 N flip ATOM 0 H ASN A 387 93.505 1.227 -8.799 1.00 0.78 H new ATOM 0 HA ASN A 387 92.152 3.027 -6.767 1.00 0.83 H new ATOM 0 HB2 ASN A 387 91.731 2.909 -9.791 1.00 0.91 H new ATOM 0 HB3 ASN A 387 91.288 4.204 -8.695 1.00 0.91 H new ATOM 0 HD21 ASN A 387 93.107 4.254 -11.071 1.00 1.81 H new ATOM 0 HD22 ASN A 387 94.630 4.892 -10.444 1.00 1.81 H new ATOM 1109 N ILE A 388 90.031 1.687 -6.929 1.00 1.18 N ATOM 1110 CA ILE A 388 88.866 0.767 -7.003 1.00 1.31 C ATOM 1111 C ILE A 388 87.576 1.533 -6.744 1.00 1.70 C ATOM 1112 O ILE A 388 87.595 2.688 -6.370 1.00 1.89 O ATOM 1113 CB ILE A 388 89.114 -0.277 -5.922 1.00 1.24 C ATOM 1114 CG1 ILE A 388 87.960 -1.279 -5.907 1.00 1.66 C ATOM 1115 CG2 ILE A 388 89.206 0.416 -4.569 1.00 1.50 C ATOM 1116 CD1 ILE A 388 88.481 -2.639 -5.448 1.00 2.11 C ATOM 0 H ILE A 388 89.965 2.432 -6.235 1.00 1.18 H new ATOM 0 HA ILE A 388 88.761 0.306 -7.985 1.00 1.31 H new ATOM 0 HB ILE A 388 90.046 -0.804 -6.127 1.00 1.24 H new ATOM 0 HG12 ILE A 388 87.172 -0.934 -5.238 1.00 1.66 H new ATOM 0 HG13 ILE A 388 87.521 -1.361 -6.901 1.00 1.66 H new ATOM 0 HG21 ILE A 388 89.383 -0.327 -3.791 1.00 1.50 H new ATOM 0 HG22 ILE A 388 90.028 1.132 -4.582 1.00 1.50 H new ATOM 0 HG23 ILE A 388 88.272 0.940 -4.364 1.00 1.50 H new ATOM 0 HD11 ILE A 388 87.661 -3.357 -5.436 1.00 2.11 H new ATOM 0 HD12 ILE A 388 89.255 -2.983 -6.135 1.00 2.11 H new ATOM 0 HD13 ILE A 388 88.900 -2.549 -4.446 1.00 2.11 H new ATOM 1128 N ASP A 389 86.463 0.947 -7.081 1.00 1.97 N ATOM 1129 CA ASP A 389 85.171 1.691 -7.032 1.00 2.37 C ATOM 1130 C ASP A 389 84.777 2.151 -5.612 1.00 2.14 C ATOM 1131 O ASP A 389 83.725 2.730 -5.428 1.00 2.92 O ATOM 1132 CB ASP A 389 84.155 0.674 -7.542 1.00 2.65 C ATOM 1133 CG ASP A 389 84.351 0.463 -9.045 1.00 3.31 C ATOM 1134 OD1 ASP A 389 85.114 1.210 -9.634 1.00 3.85 O ATOM 1135 OD2 ASP A 389 83.734 -0.443 -9.580 1.00 3.63 O ATOM 0 H ASP A 389 86.390 -0.022 -7.391 1.00 1.97 H new ATOM 0 HA ASP A 389 85.229 2.609 -7.617 1.00 2.37 H new ATOM 0 HB2 ASP A 389 84.275 -0.271 -7.013 1.00 2.65 H new ATOM 0 HB3 ASP A 389 83.142 1.025 -7.343 1.00 2.65 H new ATOM 1140 N ASN A 390 85.628 2.010 -4.627 1.00 1.20 N ATOM 1141 CA ASN A 390 85.290 2.570 -3.285 1.00 1.12 C ATOM 1142 C ASN A 390 86.544 3.090 -2.559 1.00 0.97 C ATOM 1143 O ASN A 390 86.478 3.461 -1.404 1.00 1.15 O ATOM 1144 CB ASN A 390 84.679 1.398 -2.517 1.00 1.13 C ATOM 1145 CG ASN A 390 83.913 1.927 -1.302 1.00 1.53 C ATOM 1146 OD1 ASN A 390 83.748 3.120 -1.146 1.00 2.33 O ATOM 1147 ND2 ASN A 390 83.435 1.083 -0.430 1.00 1.89 N ATOM 0 H ASN A 390 86.530 1.538 -4.692 1.00 1.20 H new ATOM 0 HA ASN A 390 84.612 3.420 -3.364 1.00 1.12 H new ATOM 0 HB2 ASN A 390 84.008 0.834 -3.166 1.00 1.13 H new ATOM 0 HB3 ASN A 390 85.463 0.712 -2.196 1.00 1.13 H new ATOM 0 HD21 ASN A 390 82.923 1.425 0.383 1.00 1.89 H new ATOM 0 HD22 ASN A 390 83.574 0.081 -0.561 1.00 1.89 H new ATOM 1154 N ARG A 391 87.698 3.033 -3.179 1.00 0.83 N ATOM 1155 CA ARG A 391 88.946 3.426 -2.457 1.00 0.73 C ATOM 1156 C ARG A 391 90.022 3.885 -3.444 1.00 0.74 C ATOM 1157 O ARG A 391 90.103 3.394 -4.549 1.00 1.10 O ATOM 1158 CB ARG A 391 89.414 2.158 -1.733 1.00 0.94 C ATOM 1159 CG ARG A 391 88.453 1.813 -0.591 1.00 1.05 C ATOM 1160 CD ARG A 391 88.423 2.962 0.420 1.00 1.30 C ATOM 1161 NE ARG A 391 87.520 2.492 1.507 1.00 1.92 N ATOM 1162 CZ ARG A 391 87.526 3.085 2.672 1.00 2.13 C ATOM 1163 NH1 ARG A 391 88.326 4.093 2.892 1.00 2.15 N ATOM 1164 NH2 ARG A 391 86.730 2.667 3.618 1.00 2.69 N ATOM 0 H ARG A 391 87.828 2.734 -4.145 1.00 0.83 H new ATOM 0 HA ARG A 391 88.765 4.253 -1.771 1.00 0.73 H new ATOM 0 HB2 ARG A 391 89.466 1.327 -2.437 1.00 0.94 H new ATOM 0 HB3 ARG A 391 90.420 2.306 -1.339 1.00 0.94 H new ATOM 0 HG2 ARG A 391 87.452 1.636 -0.985 1.00 1.05 H new ATOM 0 HG3 ARG A 391 88.770 0.892 -0.101 1.00 1.05 H new ATOM 0 HD2 ARG A 391 89.421 3.179 0.801 1.00 1.30 H new ATOM 0 HD3 ARG A 391 88.049 3.879 -0.035 1.00 1.30 H new ATOM 0 HE ARG A 391 86.894 1.704 1.342 1.00 1.92 H new ATOM 0 HH11 ARG A 391 88.949 4.420 2.154 1.00 2.15 H new ATOM 0 HH12 ARG A 391 88.328 4.553 3.802 1.00 2.15 H new ATOM 0 HH21 ARG A 391 86.105 1.879 3.448 1.00 2.69 H new ATOM 0 HH22 ARG A 391 86.733 3.128 4.528 1.00 2.69 H new ATOM 1178 N MET A 392 90.985 4.622 -2.967 1.00 0.48 N ATOM 1179 CA MET A 392 92.207 4.868 -3.787 1.00 0.51 C ATOM 1180 C MET A 392 93.449 4.566 -2.941 1.00 0.48 C ATOM 1181 O MET A 392 93.487 4.863 -1.764 1.00 0.52 O ATOM 1182 CB MET A 392 92.149 6.349 -4.163 1.00 0.59 C ATOM 1183 CG MET A 392 90.922 6.607 -5.039 1.00 1.14 C ATOM 1184 SD MET A 392 90.920 8.332 -5.583 1.00 1.31 S ATOM 1185 CE MET A 392 89.339 8.292 -6.463 1.00 2.02 C ATOM 0 H MET A 392 90.981 5.064 -2.048 1.00 0.48 H new ATOM 0 HA MET A 392 92.255 4.238 -4.675 1.00 0.51 H new ATOM 0 HB2 MET A 392 92.101 6.962 -3.263 1.00 0.59 H new ATOM 0 HB3 MET A 392 93.056 6.635 -4.696 1.00 0.59 H new ATOM 0 HG2 MET A 392 90.933 5.942 -5.903 1.00 1.14 H new ATOM 0 HG3 MET A 392 90.011 6.390 -4.481 1.00 1.14 H new ATOM 0 HE1 MET A 392 89.134 9.275 -6.888 1.00 2.02 H new ATOM 0 HE2 MET A 392 89.387 7.553 -7.263 1.00 2.02 H new ATOM 0 HE3 MET A 392 88.543 8.024 -5.769 1.00 2.02 H new ATOM 1195 N ILE A 393 94.461 3.966 -3.512 1.00 0.45 N ATOM 1196 CA ILE A 393 95.673 3.645 -2.704 1.00 0.45 C ATOM 1197 C ILE A 393 96.937 4.085 -3.448 1.00 0.50 C ATOM 1198 O ILE A 393 97.065 3.877 -4.636 1.00 0.60 O ATOM 1199 CB ILE A 393 95.642 2.124 -2.536 1.00 0.43 C ATOM 1200 CG1 ILE A 393 94.264 1.700 -2.021 1.00 1.21 C ATOM 1201 CG2 ILE A 393 96.716 1.702 -1.532 1.00 0.98 C ATOM 1202 CD1 ILE A 393 94.113 2.121 -0.561 1.00 1.68 C ATOM 0 H ILE A 393 94.501 3.687 -4.492 1.00 0.45 H new ATOM 0 HA ILE A 393 95.681 4.159 -1.743 1.00 0.45 H new ATOM 0 HB ILE A 393 95.835 1.645 -3.496 1.00 0.43 H new ATOM 0 HG12 ILE A 393 93.481 2.159 -2.625 1.00 1.21 H new ATOM 0 HG13 ILE A 393 94.146 0.620 -2.113 1.00 1.21 H new ATOM 0 HG21 ILE A 393 96.695 0.619 -1.411 1.00 0.98 H new ATOM 0 HG22 ILE A 393 97.696 2.008 -1.898 1.00 0.98 H new ATOM 0 HG23 ILE A 393 96.523 2.178 -0.571 1.00 0.98 H new ATOM 0 HD11 ILE A 393 93.132 1.819 -0.195 1.00 1.68 H new ATOM 0 HD12 ILE A 393 94.887 1.641 0.038 1.00 1.68 H new ATOM 0 HD13 ILE A 393 94.212 3.204 -0.482 1.00 1.68 H new ATOM 1214 N ARG A 394 97.903 4.618 -2.747 1.00 0.63 N ATOM 1215 CA ARG A 394 99.189 4.985 -3.414 1.00 0.72 C ATOM 1216 C ARG A 394 100.376 4.690 -2.488 1.00 0.60 C ATOM 1217 O ARG A 394 100.281 4.809 -1.289 1.00 0.54 O ATOM 1218 CB ARG A 394 99.081 6.483 -3.688 1.00 0.78 C ATOM 1219 CG ARG A 394 100.217 6.922 -4.615 1.00 1.27 C ATOM 1220 CD ARG A 394 99.932 6.433 -6.037 1.00 1.04 C ATOM 1221 NE ARG A 394 101.073 6.936 -6.852 1.00 1.47 N ATOM 1222 CZ ARG A 394 101.033 6.860 -8.156 1.00 1.92 C ATOM 1223 NH1 ARG A 394 99.995 6.341 -8.755 1.00 2.78 N ATOM 1224 NH2 ARG A 394 102.035 7.307 -8.862 1.00 2.09 N ATOM 0 H ARG A 394 97.859 4.815 -1.747 1.00 0.63 H new ATOM 0 HA ARG A 394 99.354 4.415 -4.328 1.00 0.72 H new ATOM 0 HB2 ARG A 394 98.118 6.710 -4.145 1.00 0.78 H new ATOM 0 HB3 ARG A 394 99.128 7.038 -2.751 1.00 0.78 H new ATOM 0 HG2 ARG A 394 100.311 8.008 -4.604 1.00 1.27 H new ATOM 0 HG3 ARG A 394 101.166 6.517 -4.263 1.00 1.27 H new ATOM 0 HD2 ARG A 394 99.868 5.346 -6.075 1.00 1.04 H new ATOM 0 HD3 ARG A 394 98.982 6.821 -6.405 1.00 1.04 H new ATOM 0 HE ARG A 394 101.888 7.341 -6.391 1.00 1.47 H new ATOM 0 HH11 ARG A 394 99.210 5.992 -8.205 1.00 2.78 H new ATOM 0 HH12 ARG A 394 99.969 6.284 -9.773 1.00 2.78 H new ATOM 0 HH21 ARG A 394 102.846 7.714 -8.396 1.00 2.09 H new ATOM 0 HH22 ARG A 394 102.007 7.249 -9.880 1.00 2.09 H new ATOM 1238 N LYS A 395 101.486 4.296 -3.045 1.00 0.63 N ATOM 1239 CA LYS A 395 102.685 3.980 -2.210 1.00 0.58 C ATOM 1240 C LYS A 395 103.962 4.333 -2.979 1.00 0.60 C ATOM 1241 O LYS A 395 104.028 4.174 -4.178 1.00 0.68 O ATOM 1242 CB LYS A 395 102.613 2.473 -1.975 1.00 0.72 C ATOM 1243 CG LYS A 395 103.619 2.068 -0.897 1.00 0.80 C ATOM 1244 CD LYS A 395 104.950 1.714 -1.556 1.00 1.11 C ATOM 1245 CE LYS A 395 104.800 0.405 -2.333 1.00 1.15 C ATOM 1246 NZ LYS A 395 106.151 -0.217 -2.289 1.00 1.57 N ATOM 0 H LYS A 395 101.618 4.178 -4.049 1.00 0.63 H new ATOM 0 HA LYS A 395 102.701 4.542 -1.276 1.00 0.58 H new ATOM 0 HB2 LYS A 395 101.605 2.191 -1.669 1.00 0.72 H new ATOM 0 HB3 LYS A 395 102.826 1.941 -2.902 1.00 0.72 H new ATOM 0 HG2 LYS A 395 103.757 2.884 -0.187 1.00 0.80 H new ATOM 0 HG3 LYS A 395 103.241 1.215 -0.333 1.00 0.80 H new ATOM 0 HD2 LYS A 395 105.260 2.515 -2.227 1.00 1.11 H new ATOM 0 HD3 LYS A 395 105.728 1.613 -0.799 1.00 1.11 H new ATOM 0 HE2 LYS A 395 104.051 -0.242 -1.877 1.00 1.15 H new ATOM 0 HE3 LYS A 395 104.481 0.588 -3.359 1.00 1.15 H new ATOM 0 HZ1 LYS A 395 106.156 -1.079 -2.872 1.00 1.57 H new ATOM 0 HZ2 LYS A 395 106.854 0.454 -2.658 1.00 1.57 H new ATOM 0 HZ3 LYS A 395 106.389 -0.462 -1.307 1.00 1.57 H new ATOM 1260 N GLY A 396 104.988 4.769 -2.304 1.00 0.56 N ATOM 1261 CA GLY A 396 106.262 5.077 -3.023 1.00 0.60 C ATOM 1262 C GLY A 396 107.263 5.739 -2.075 1.00 0.55 C ATOM 1263 O GLY A 396 107.277 5.472 -0.891 1.00 0.82 O ATOM 0 H GLY A 396 105.004 4.925 -1.296 1.00 0.56 H new ATOM 0 HA2 GLY A 396 106.688 4.160 -3.430 1.00 0.60 H new ATOM 0 HA3 GLY A 396 106.060 5.736 -3.867 1.00 0.60 H new ATOM 1267 N SER A 397 108.139 6.556 -2.600 1.00 0.50 N ATOM 1268 CA SER A 397 109.186 7.181 -1.740 1.00 0.60 C ATOM 1269 C SER A 397 108.572 8.233 -0.814 1.00 0.48 C ATOM 1270 O SER A 397 107.482 8.719 -1.043 1.00 0.61 O ATOM 1271 CB SER A 397 110.189 7.812 -2.707 1.00 0.91 C ATOM 1272 OG SER A 397 111.005 6.791 -3.267 1.00 1.17 O ATOM 0 H SER A 397 108.174 6.817 -3.585 1.00 0.50 H new ATOM 0 HA SER A 397 109.667 6.449 -1.091 1.00 0.60 H new ATOM 0 HB2 SER A 397 109.663 8.348 -3.497 1.00 0.91 H new ATOM 0 HB3 SER A 397 110.807 8.542 -2.184 1.00 0.91 H new ATOM 0 HG SER A 397 111.889 7.157 -3.477 1.00 1.17 H new ATOM 1278 N VAL A 398 109.226 8.523 0.279 1.00 0.53 N ATOM 1279 CA VAL A 398 108.637 9.466 1.271 1.00 0.47 C ATOM 1280 C VAL A 398 108.410 10.833 0.629 1.00 0.51 C ATOM 1281 O VAL A 398 107.308 11.339 0.610 1.00 0.51 O ATOM 1282 CB VAL A 398 109.672 9.567 2.387 1.00 0.46 C ATOM 1283 CG1 VAL A 398 109.199 10.582 3.428 1.00 0.50 C ATOM 1284 CG2 VAL A 398 109.836 8.197 3.047 1.00 0.51 C ATOM 0 H VAL A 398 110.142 8.148 0.527 1.00 0.53 H new ATOM 0 HA VAL A 398 107.671 9.123 1.641 1.00 0.47 H new ATOM 0 HB VAL A 398 110.627 9.890 1.974 1.00 0.46 H new ATOM 0 HG11 VAL A 398 109.937 10.655 4.226 1.00 0.50 H new ATOM 0 HG12 VAL A 398 109.077 11.557 2.956 1.00 0.50 H new ATOM 0 HG13 VAL A 398 108.245 10.258 3.845 1.00 0.50 H new ATOM 0 HG21 VAL A 398 110.575 8.264 3.846 1.00 0.51 H new ATOM 0 HG22 VAL A 398 108.881 7.877 3.463 1.00 0.51 H new ATOM 0 HG23 VAL A 398 110.170 7.473 2.304 1.00 0.51 H new ATOM 1294 N ASP A 399 109.401 11.366 -0.027 1.00 0.55 N ATOM 1295 CA ASP A 399 109.173 12.612 -0.806 1.00 0.62 C ATOM 1296 C ASP A 399 108.097 12.352 -1.860 1.00 0.64 C ATOM 1297 O ASP A 399 107.244 13.177 -2.120 1.00 0.64 O ATOM 1298 CB ASP A 399 110.515 12.923 -1.470 1.00 0.71 C ATOM 1299 CG ASP A 399 111.542 13.293 -0.397 1.00 1.10 C ATOM 1300 OD1 ASP A 399 111.134 13.541 0.725 1.00 1.46 O ATOM 1301 OD2 ASP A 399 112.718 13.322 -0.717 1.00 1.59 O ATOM 0 H ASP A 399 110.351 10.996 -0.058 1.00 0.55 H new ATOM 0 HA ASP A 399 108.835 13.443 -0.187 1.00 0.62 H new ATOM 0 HB2 ASP A 399 110.861 12.059 -2.037 1.00 0.71 H new ATOM 0 HB3 ASP A 399 110.401 13.744 -2.178 1.00 0.71 H new ATOM 1306 N ALA A 400 108.114 11.185 -2.439 1.00 0.70 N ATOM 1307 CA ALA A 400 107.080 10.834 -3.450 1.00 0.76 C ATOM 1308 C ALA A 400 105.677 10.900 -2.836 1.00 0.72 C ATOM 1309 O ALA A 400 104.777 11.499 -3.390 1.00 0.75 O ATOM 1310 CB ALA A 400 107.420 9.400 -3.860 1.00 0.85 C ATOM 0 H ALA A 400 108.803 10.456 -2.254 1.00 0.70 H new ATOM 0 HA ALA A 400 107.078 11.521 -4.297 1.00 0.76 H new ATOM 0 HB1 ALA A 400 106.705 9.056 -4.607 1.00 0.85 H new ATOM 0 HB2 ALA A 400 108.426 9.370 -4.279 1.00 0.85 H new ATOM 0 HB3 ALA A 400 107.372 8.751 -2.986 1.00 0.85 H new ATOM 1316 N ILE A 401 105.460 10.246 -1.727 1.00 0.67 N ATOM 1317 CA ILE A 401 104.088 10.229 -1.138 1.00 0.66 C ATOM 1318 C ILE A 401 103.676 11.621 -0.654 1.00 0.59 C ATOM 1319 O ILE A 401 102.544 12.024 -0.810 1.00 0.64 O ATOM 1320 CB ILE A 401 104.169 9.249 0.032 1.00 0.64 C ATOM 1321 CG1 ILE A 401 104.548 7.860 -0.489 1.00 0.81 C ATOM 1322 CG2 ILE A 401 102.812 9.178 0.732 1.00 0.68 C ATOM 1323 CD1 ILE A 401 103.688 7.512 -1.707 1.00 0.62 C ATOM 0 H ILE A 401 106.166 9.726 -1.206 1.00 0.67 H new ATOM 0 HA ILE A 401 103.339 9.931 -1.871 1.00 0.66 H new ATOM 0 HB ILE A 401 104.925 9.590 0.739 1.00 0.64 H new ATOM 0 HG12 ILE A 401 105.604 7.838 -0.759 1.00 0.81 H new ATOM 0 HG13 ILE A 401 104.404 7.116 0.294 1.00 0.81 H new ATOM 0 HG21 ILE A 401 102.869 8.479 1.567 1.00 0.68 H new ATOM 0 HG22 ILE A 401 102.542 10.166 1.104 1.00 0.68 H new ATOM 0 HG23 ILE A 401 102.055 8.838 0.025 1.00 0.68 H new ATOM 0 HD11 ILE A 401 103.961 6.523 -2.075 1.00 0.62 H new ATOM 0 HD12 ILE A 401 102.636 7.516 -1.422 1.00 0.62 H new ATOM 0 HD13 ILE A 401 103.854 8.249 -2.492 1.00 0.62 H new ATOM 1335 N ARG A 402 104.578 12.369 -0.086 1.00 0.50 N ATOM 1336 CA ARG A 402 104.211 13.737 0.378 1.00 0.47 C ATOM 1337 C ARG A 402 103.698 14.573 -0.800 1.00 0.54 C ATOM 1338 O ARG A 402 102.709 15.268 -0.695 1.00 0.62 O ATOM 1339 CB ARG A 402 105.501 14.330 0.941 1.00 0.44 C ATOM 1340 CG ARG A 402 105.211 15.711 1.534 1.00 1.17 C ATOM 1341 CD ARG A 402 106.504 16.312 2.087 1.00 1.24 C ATOM 1342 NE ARG A 402 106.093 17.601 2.711 1.00 1.71 N ATOM 1343 CZ ARG A 402 106.932 18.264 3.463 1.00 2.17 C ATOM 1344 NH1 ARG A 402 108.135 17.802 3.674 1.00 2.62 N ATOM 1345 NH2 ARG A 402 106.565 19.393 4.004 1.00 2.61 N ATOM 0 H ARG A 402 105.547 12.096 0.077 1.00 0.50 H new ATOM 0 HA ARG A 402 103.417 13.720 1.125 1.00 0.47 H new ATOM 0 HB2 ARG A 402 105.912 13.673 1.707 1.00 0.44 H new ATOM 0 HB3 ARG A 402 106.251 14.410 0.154 1.00 0.44 H new ATOM 0 HG2 ARG A 402 104.791 16.365 0.770 1.00 1.17 H new ATOM 0 HG3 ARG A 402 104.468 15.629 2.327 1.00 1.17 H new ATOM 0 HD2 ARG A 402 106.966 15.649 2.818 1.00 1.24 H new ATOM 0 HD3 ARG A 402 107.235 16.472 1.295 1.00 1.24 H new ATOM 0 HE ARG A 402 105.155 17.967 2.551 1.00 1.71 H new ATOM 0 HH11 ARG A 402 108.424 16.920 3.251 1.00 2.62 H new ATOM 0 HH12 ARG A 402 108.786 18.323 4.262 1.00 2.62 H new ATOM 0 HH21 ARG A 402 105.626 19.756 3.840 1.00 2.61 H new ATOM 0 HH22 ARG A 402 107.217 19.913 4.591 1.00 2.61 H new ATOM 1359 N ARG A 403 104.338 14.480 -1.934 1.00 0.54 N ATOM 1360 CA ARG A 403 103.857 15.239 -3.123 1.00 0.62 C ATOM 1361 C ARG A 403 102.502 14.705 -3.598 1.00 0.72 C ATOM 1362 O ARG A 403 101.627 15.457 -3.976 1.00 0.82 O ATOM 1363 CB ARG A 403 104.922 15.024 -4.190 1.00 0.63 C ATOM 1364 CG ARG A 403 106.227 15.665 -3.724 1.00 0.83 C ATOM 1365 CD ARG A 403 107.097 15.962 -4.939 1.00 0.96 C ATOM 1366 NE ARG A 403 108.417 16.370 -4.381 1.00 1.38 N ATOM 1367 CZ ARG A 403 108.567 17.552 -3.845 1.00 2.01 C ATOM 1368 NH1 ARG A 403 107.562 18.385 -3.794 1.00 2.48 N ATOM 1369 NH2 ARG A 403 109.727 17.902 -3.360 1.00 2.46 N ATOM 0 H ARG A 403 105.171 13.912 -2.088 1.00 0.54 H new ATOM 0 HA ARG A 403 103.711 16.296 -2.898 1.00 0.62 H new ATOM 0 HB2 ARG A 403 105.068 13.958 -4.367 1.00 0.63 H new ATOM 0 HB3 ARG A 403 104.603 15.464 -5.135 1.00 0.63 H new ATOM 0 HG2 ARG A 403 106.020 16.584 -3.176 1.00 0.83 H new ATOM 0 HG3 ARG A 403 106.751 14.997 -3.040 1.00 0.83 H new ATOM 0 HD2 ARG A 403 107.194 15.085 -5.579 1.00 0.96 H new ATOM 0 HD3 ARG A 403 106.665 16.755 -5.549 1.00 0.96 H new ATOM 0 HE ARG A 403 109.206 15.725 -4.418 1.00 1.38 H new ATOM 0 HH11 ARG A 403 106.655 18.114 -4.174 1.00 2.48 H new ATOM 0 HH12 ARG A 403 107.684 19.307 -3.374 1.00 2.48 H new ATOM 0 HH21 ARG A 403 110.513 17.253 -3.400 1.00 2.46 H new ATOM 0 HH22 ARG A 403 109.847 18.824 -2.941 1.00 2.46 H new ATOM 1383 N HIS A 404 102.301 13.417 -3.540 1.00 0.74 N ATOM 1384 CA HIS A 404 100.982 12.853 -3.947 1.00 0.86 C ATOM 1385 C HIS A 404 99.873 13.343 -3.009 1.00 0.84 C ATOM 1386 O HIS A 404 98.793 13.694 -3.440 1.00 0.94 O ATOM 1387 CB HIS A 404 101.152 11.338 -3.844 1.00 0.92 C ATOM 1388 CG HIS A 404 99.903 10.658 -4.332 1.00 1.32 C ATOM 1389 ND1 HIS A 404 99.498 10.718 -5.656 1.00 1.39 N ATOM 1390 CD2 HIS A 404 98.960 9.899 -3.685 1.00 2.29 C ATOM 1391 CE1 HIS A 404 98.356 10.015 -5.763 1.00 1.88 C ATOM 1392 NE2 HIS A 404 97.984 9.494 -4.591 1.00 2.43 N ATOM 0 H HIS A 404 102.990 12.732 -3.229 1.00 0.74 H new ATOM 0 HA HIS A 404 100.695 13.163 -4.952 1.00 0.86 H new ATOM 0 HB2 HIS A 404 102.009 11.017 -4.436 1.00 0.92 H new ATOM 0 HB3 HIS A 404 101.354 11.054 -2.811 1.00 0.92 H new ATOM 0 HD2 HIS A 404 98.973 9.653 -2.633 1.00 2.29 H new ATOM 0 HE1 HIS A 404 97.807 9.888 -6.684 1.00 1.88 H new ATOM 0 HE2 HIS A 404 97.161 8.922 -4.401 1.00 2.43 H new ATOM 1400 N VAL A 405 100.141 13.413 -1.736 1.00 0.76 N ATOM 1401 CA VAL A 405 99.112 13.926 -0.789 1.00 0.79 C ATOM 1402 C VAL A 405 98.811 15.400 -1.074 1.00 0.85 C ATOM 1403 O VAL A 405 97.671 15.815 -1.084 1.00 0.94 O ATOM 1404 CB VAL A 405 99.728 13.759 0.600 1.00 0.76 C ATOM 1405 CG1 VAL A 405 98.775 14.324 1.654 1.00 0.80 C ATOM 1406 CG2 VAL A 405 99.970 12.273 0.875 1.00 0.76 C ATOM 0 H VAL A 405 101.026 13.138 -1.310 1.00 0.76 H new ATOM 0 HA VAL A 405 98.167 13.390 -0.880 1.00 0.79 H new ATOM 0 HB VAL A 405 100.675 14.296 0.643 1.00 0.76 H new ATOM 0 HG11 VAL A 405 99.215 14.204 2.644 1.00 0.80 H new ATOM 0 HG12 VAL A 405 98.603 15.382 1.459 1.00 0.80 H new ATOM 0 HG13 VAL A 405 97.827 13.788 1.612 1.00 0.80 H new ATOM 0 HG21 VAL A 405 100.409 12.153 1.865 1.00 0.76 H new ATOM 0 HG22 VAL A 405 99.023 11.736 0.831 1.00 0.76 H new ATOM 0 HG23 VAL A 405 100.651 11.870 0.125 1.00 0.76 H new ATOM 1416 N GLU A 406 99.816 16.205 -1.265 1.00 0.84 N ATOM 1417 CA GLU A 406 99.568 17.657 -1.495 1.00 0.95 C ATOM 1418 C GLU A 406 98.745 17.872 -2.772 1.00 1.05 C ATOM 1419 O GLU A 406 97.902 18.745 -2.834 1.00 1.19 O ATOM 1420 CB GLU A 406 100.957 18.280 -1.641 1.00 0.91 C ATOM 1421 CG GLU A 406 101.719 18.141 -0.321 1.00 0.88 C ATOM 1422 CD GLU A 406 103.086 18.818 -0.447 1.00 1.43 C ATOM 1423 OE1 GLU A 406 103.437 19.197 -1.552 1.00 1.86 O ATOM 1424 OE2 GLU A 406 103.756 18.945 0.564 1.00 2.16 O ATOM 0 H GLU A 406 100.796 15.924 -1.272 1.00 0.84 H new ATOM 0 HA GLU A 406 99.001 18.106 -0.680 1.00 0.95 H new ATOM 0 HB2 GLU A 406 101.506 17.788 -2.444 1.00 0.91 H new ATOM 0 HB3 GLU A 406 100.869 19.332 -1.914 1.00 0.91 H new ATOM 0 HG2 GLU A 406 101.149 18.596 0.490 1.00 0.88 H new ATOM 0 HG3 GLU A 406 101.845 17.088 -0.071 1.00 0.88 H new ATOM 1431 N ALA A 407 98.970 17.080 -3.785 1.00 1.02 N ATOM 1432 CA ALA A 407 98.184 17.242 -5.043 1.00 1.17 C ATOM 1433 C ALA A 407 96.718 16.890 -4.785 1.00 1.32 C ATOM 1434 O ALA A 407 95.819 17.628 -5.134 1.00 1.53 O ATOM 1435 CB ALA A 407 98.808 16.259 -6.032 1.00 1.12 C ATOM 0 H ALA A 407 99.661 16.330 -3.797 1.00 1.02 H new ATOM 0 HA ALA A 407 98.208 18.264 -5.422 1.00 1.17 H new ATOM 0 HB1 ALA A 407 98.283 16.319 -6.985 1.00 1.12 H new ATOM 0 HB2 ALA A 407 99.858 16.510 -6.180 1.00 1.12 H new ATOM 0 HB3 ALA A 407 98.729 15.246 -5.637 1.00 1.12 H new ATOM 1441 N ASN A 408 96.490 15.848 -4.038 1.00 1.23 N ATOM 1442 CA ASN A 408 95.109 15.535 -3.590 1.00 1.37 C ATOM 1443 C ASN A 408 94.628 16.630 -2.643 1.00 1.44 C ATOM 1444 O ASN A 408 93.446 16.837 -2.454 1.00 1.60 O ATOM 1445 CB ASN A 408 95.240 14.201 -2.860 1.00 1.27 C ATOM 1446 CG ASN A 408 95.552 13.096 -3.872 1.00 1.88 C ATOM 1447 OD1 ASN A 408 95.298 13.246 -5.050 1.00 2.75 O ATOM 1448 ND2 ASN A 408 96.098 11.985 -3.459 1.00 2.02 N ATOM 0 H ASN A 408 97.206 15.196 -3.717 1.00 1.23 H new ATOM 0 HA ASN A 408 94.391 15.479 -4.408 1.00 1.37 H new ATOM 0 HB2 ASN A 408 96.031 14.259 -2.113 1.00 1.27 H new ATOM 0 HB3 ASN A 408 94.316 13.972 -2.329 1.00 1.27 H new ATOM 0 HD21 ASN A 408 96.311 11.243 -4.126 1.00 2.02 H new ATOM 0 HD22 ASN A 408 96.312 11.859 -2.470 1.00 2.02 H new ATOM 1455 N GLY A 409 95.550 17.281 -1.994 1.00 1.37 N ATOM 1456 CA GLY A 409 95.181 18.311 -0.993 1.00 1.51 C ATOM 1457 C GLY A 409 95.194 17.686 0.402 1.00 1.69 C ATOM 1458 O GLY A 409 94.575 18.181 1.323 1.00 2.28 O ATOM 0 H GLY A 409 96.553 17.140 -2.117 1.00 1.37 H new ATOM 0 HA2 GLY A 409 95.881 19.145 -1.037 1.00 1.51 H new ATOM 0 HA3 GLY A 409 94.192 18.713 -1.215 1.00 1.51 H new ATOM 1462 N GLY A 410 95.923 16.617 0.569 1.00 1.39 N ATOM 1463 CA GLY A 410 96.013 15.974 1.911 1.00 1.72 C ATOM 1464 C GLY A 410 97.239 16.508 2.653 1.00 1.26 C ATOM 1465 O GLY A 410 97.915 17.404 2.187 1.00 1.69 O ATOM 0 H GLY A 410 96.461 16.160 -0.167 1.00 1.39 H new ATOM 0 HA2 GLY A 410 95.110 16.179 2.485 1.00 1.72 H new ATOM 0 HA3 GLY A 410 96.083 14.892 1.803 1.00 1.72 H new ATOM 1469 N HIS A 411 97.561 15.932 3.778 1.00 0.88 N ATOM 1470 CA HIS A 411 98.781 16.368 4.517 1.00 1.32 C ATOM 1471 C HIS A 411 99.522 15.152 5.077 1.00 1.27 C ATOM 1472 O HIS A 411 98.928 14.136 5.379 1.00 1.52 O ATOM 1473 CB HIS A 411 98.265 17.254 5.651 1.00 1.83 C ATOM 1474 CG HIS A 411 99.430 17.828 6.409 1.00 2.66 C ATOM 1475 ND1 HIS A 411 100.316 18.724 5.834 1.00 3.39 N ATOM 1476 CD2 HIS A 411 99.868 17.641 7.698 1.00 3.34 C ATOM 1477 CE1 HIS A 411 101.234 19.041 6.766 1.00 4.16 C ATOM 1478 NE2 HIS A 411 101.007 18.409 7.921 1.00 4.13 N ATOM 0 H HIS A 411 97.033 15.178 4.218 1.00 0.88 H new ATOM 0 HA HIS A 411 99.484 16.900 3.876 1.00 1.32 H new ATOM 0 HB2 HIS A 411 97.649 18.057 5.247 1.00 1.83 H new ATOM 0 HB3 HIS A 411 97.632 16.673 6.322 1.00 1.83 H new ATOM 0 HD2 HIS A 411 99.400 16.996 8.427 1.00 3.34 H new ATOM 0 HE1 HIS A 411 102.054 19.723 6.600 1.00 4.16 H new ATOM 0 HE2 HIS A 411 101.551 18.475 8.781 1.00 4.13 H new ATOM 1486 N PHE A 412 100.817 15.247 5.218 1.00 1.04 N ATOM 1487 CA PHE A 412 101.596 14.095 5.759 1.00 1.06 C ATOM 1488 C PHE A 412 101.703 14.201 7.285 1.00 1.03 C ATOM 1489 O PHE A 412 102.345 15.093 7.802 1.00 1.05 O ATOM 1490 CB PHE A 412 102.977 14.218 5.110 1.00 1.03 C ATOM 1491 CG PHE A 412 103.591 12.847 4.966 1.00 1.36 C ATOM 1492 CD1 PHE A 412 104.089 12.178 6.094 1.00 1.73 C ATOM 1493 CD2 PHE A 412 103.667 12.244 3.704 1.00 1.90 C ATOM 1494 CE1 PHE A 412 104.661 10.906 5.958 1.00 2.70 C ATOM 1495 CE2 PHE A 412 104.239 10.972 3.567 1.00 2.91 C ATOM 1496 CZ PHE A 412 104.736 10.302 4.694 1.00 3.31 C ATOM 0 H PHE A 412 101.369 16.072 4.982 1.00 1.04 H new ATOM 0 HA PHE A 412 101.127 13.135 5.542 1.00 1.06 H new ATOM 0 HB2 PHE A 412 102.890 14.693 4.133 1.00 1.03 H new ATOM 0 HB3 PHE A 412 103.621 14.854 5.718 1.00 1.03 H new ATOM 0 HD1 PHE A 412 104.032 12.643 7.067 1.00 1.73 H new ATOM 0 HD2 PHE A 412 103.284 12.760 2.836 1.00 1.90 H new ATOM 0 HE1 PHE A 412 105.044 10.391 6.826 1.00 2.70 H new ATOM 0 HE2 PHE A 412 104.297 10.508 2.594 1.00 2.91 H new ATOM 0 HZ PHE A 412 105.176 9.321 4.589 1.00 3.31 H new ATOM 1506 N PRO A 413 101.028 13.304 7.957 1.00 1.03 N ATOM 1507 CA PRO A 413 101.002 13.321 9.443 1.00 1.06 C ATOM 1508 C PRO A 413 102.418 13.186 10.010 1.00 0.96 C ATOM 1509 O PRO A 413 103.242 12.463 9.484 1.00 0.88 O ATOM 1510 CB PRO A 413 100.154 12.104 9.817 1.00 1.16 C ATOM 1511 CG PRO A 413 99.417 11.725 8.571 1.00 1.23 C ATOM 1512 CD PRO A 413 100.234 12.206 7.403 1.00 1.05 C ATOM 0 HA PRO A 413 100.599 14.251 9.843 1.00 1.06 H new ATOM 0 HB2 PRO A 413 100.780 11.283 10.166 1.00 1.16 H new ATOM 0 HB3 PRO A 413 99.461 12.343 10.624 1.00 1.16 H new ATOM 0 HG2 PRO A 413 99.275 10.645 8.522 1.00 1.23 H new ATOM 0 HG3 PRO A 413 98.425 12.178 8.559 1.00 1.23 H new ATOM 0 HD2 PRO A 413 100.869 11.414 7.007 1.00 1.05 H new ATOM 0 HD3 PRO A 413 99.599 12.545 6.584 1.00 1.05 H new ATOM 1520 N THR A 414 102.708 13.878 11.078 1.00 1.01 N ATOM 1521 CA THR A 414 104.071 13.792 11.677 1.00 0.97 C ATOM 1522 C THR A 414 104.382 12.350 12.088 1.00 0.92 C ATOM 1523 O THR A 414 105.475 11.863 11.896 1.00 0.84 O ATOM 1524 CB THR A 414 104.026 14.715 12.903 1.00 1.09 C ATOM 1525 OG1 THR A 414 105.352 15.068 13.272 1.00 1.63 O ATOM 1526 CG2 THR A 414 103.344 14.003 14.075 1.00 1.75 C ATOM 0 H THR A 414 102.060 14.499 11.562 1.00 1.01 H new ATOM 0 HA THR A 414 104.851 14.090 10.976 1.00 0.97 H new ATOM 0 HB THR A 414 103.459 15.612 12.655 1.00 1.09 H new ATOM 0 HG1 THR A 414 105.328 15.659 14.054 1.00 1.63 H new ATOM 0 HG21 THR A 414 103.318 14.667 14.939 1.00 1.75 H new ATOM 0 HG22 THR A 414 102.326 13.733 13.794 1.00 1.75 H new ATOM 0 HG23 THR A 414 103.902 13.101 14.327 1.00 1.75 H new ATOM 1534 N ASP A 415 103.445 11.682 12.702 1.00 0.99 N ATOM 1535 CA ASP A 415 103.713 10.295 13.182 1.00 0.97 C ATOM 1536 C ASP A 415 104.182 9.415 12.021 1.00 0.83 C ATOM 1537 O ASP A 415 105.044 8.579 12.171 1.00 0.84 O ATOM 1538 CB ASP A 415 102.376 9.796 13.729 1.00 1.08 C ATOM 1539 CG ASP A 415 102.595 8.504 14.516 1.00 1.27 C ATOM 1540 OD1 ASP A 415 103.743 8.142 14.716 1.00 1.87 O ATOM 1541 OD2 ASP A 415 101.611 7.897 14.906 1.00 1.80 O ATOM 0 H ASP A 415 102.507 12.035 12.892 1.00 0.99 H new ATOM 0 HA ASP A 415 104.497 10.266 13.939 1.00 0.97 H new ATOM 0 HB2 ASP A 415 101.929 10.554 14.372 1.00 1.08 H new ATOM 0 HB3 ASP A 415 101.679 9.621 12.910 1.00 1.08 H new ATOM 1546 N VAL A 416 103.661 9.621 10.850 1.00 0.71 N ATOM 1547 CA VAL A 416 104.141 8.824 9.692 1.00 0.60 C ATOM 1548 C VAL A 416 105.550 9.267 9.291 1.00 0.51 C ATOM 1549 O VAL A 416 106.391 8.458 8.958 1.00 0.46 O ATOM 1550 CB VAL A 416 103.138 9.112 8.577 1.00 0.58 C ATOM 1551 CG1 VAL A 416 103.640 8.513 7.262 1.00 0.51 C ATOM 1552 CG2 VAL A 416 101.788 8.487 8.938 1.00 0.71 C ATOM 0 H VAL A 416 102.929 10.301 10.643 1.00 0.71 H new ATOM 0 HA VAL A 416 104.203 7.759 9.915 1.00 0.60 H new ATOM 0 HB VAL A 416 103.026 10.190 8.461 1.00 0.58 H new ATOM 0 HG11 VAL A 416 102.921 8.721 6.470 1.00 0.51 H new ATOM 0 HG12 VAL A 416 104.602 8.956 7.004 1.00 0.51 H new ATOM 0 HG13 VAL A 416 103.755 7.435 7.374 1.00 0.51 H new ATOM 0 HG21 VAL A 416 101.069 8.690 8.144 1.00 0.71 H new ATOM 0 HG22 VAL A 416 101.905 7.410 9.054 1.00 0.71 H new ATOM 0 HG23 VAL A 416 101.427 8.915 9.873 1.00 0.71 H new ATOM 1562 N ASP A 417 105.839 10.535 9.388 1.00 0.53 N ATOM 1563 CA ASP A 417 107.221 11.001 9.081 1.00 0.53 C ATOM 1564 C ASP A 417 108.221 10.389 10.068 1.00 0.58 C ATOM 1565 O ASP A 417 109.278 9.929 9.688 1.00 0.60 O ATOM 1566 CB ASP A 417 107.173 12.522 9.234 1.00 0.61 C ATOM 1567 CG ASP A 417 108.481 13.129 8.724 1.00 1.03 C ATOM 1568 OD1 ASP A 417 109.285 12.386 8.185 1.00 1.81 O ATOM 1569 OD2 ASP A 417 108.656 14.326 8.880 1.00 1.15 O ATOM 0 H ASP A 417 105.183 11.265 9.665 1.00 0.53 H new ATOM 0 HA ASP A 417 107.543 10.704 8.083 1.00 0.53 H new ATOM 0 HB2 ASP A 417 106.330 12.928 8.675 1.00 0.61 H new ATOM 0 HB3 ASP A 417 107.020 12.788 10.280 1.00 0.61 H new ATOM 1574 N GLN A 418 107.883 10.345 11.327 1.00 0.62 N ATOM 1575 CA GLN A 418 108.808 9.730 12.319 1.00 0.68 C ATOM 1576 C GLN A 418 108.916 8.217 12.094 1.00 0.69 C ATOM 1577 O GLN A 418 109.984 7.653 12.190 1.00 0.81 O ATOM 1578 CB GLN A 418 108.210 10.053 13.695 1.00 0.73 C ATOM 1579 CG GLN A 418 106.796 9.491 13.796 1.00 1.31 C ATOM 1580 CD GLN A 418 106.299 9.618 15.238 1.00 1.86 C ATOM 1581 OE1 GLN A 418 105.823 10.662 15.638 1.00 1.96 O ATOM 1582 NE2 GLN A 418 106.389 8.592 16.039 1.00 2.60 N ATOM 0 H GLN A 418 107.010 10.707 11.710 1.00 0.62 H new ATOM 0 HA GLN A 418 109.821 10.121 12.229 1.00 0.68 H new ATOM 0 HB2 GLN A 418 108.835 9.629 14.481 1.00 0.73 H new ATOM 0 HB3 GLN A 418 108.193 11.132 13.849 1.00 0.73 H new ATOM 0 HG2 GLN A 418 106.130 10.029 13.122 1.00 1.31 H new ATOM 0 HG3 GLN A 418 106.786 8.446 13.487 1.00 1.31 H new ATOM 0 HE21 GLN A 418 106.789 7.716 15.703 1.00 2.60 H new ATOM 0 HE22 GLN A 418 106.060 8.666 17.002 1.00 2.60 H new ATOM 1591 N LYS A 419 107.846 7.553 11.744 1.00 0.61 N ATOM 1592 CA LYS A 419 107.953 6.089 11.466 1.00 0.63 C ATOM 1593 C LYS A 419 108.873 5.828 10.265 1.00 0.62 C ATOM 1594 O LYS A 419 109.665 4.913 10.271 1.00 0.71 O ATOM 1595 CB LYS A 419 106.526 5.633 11.162 1.00 0.57 C ATOM 1596 CG LYS A 419 105.695 5.667 12.447 1.00 0.81 C ATOM 1597 CD LYS A 419 104.284 5.154 12.158 1.00 0.93 C ATOM 1598 CE LYS A 419 103.427 5.279 13.420 1.00 1.33 C ATOM 1599 NZ LYS A 419 103.753 4.071 14.227 1.00 2.49 N ATOM 0 H LYS A 419 106.914 7.954 11.639 1.00 0.61 H new ATOM 0 HA LYS A 419 108.383 5.547 12.308 1.00 0.63 H new ATOM 0 HB2 LYS A 419 106.078 6.282 10.409 1.00 0.57 H new ATOM 0 HB3 LYS A 419 106.535 4.624 10.749 1.00 0.57 H new ATOM 0 HG2 LYS A 419 106.167 5.052 13.214 1.00 0.81 H new ATOM 0 HG3 LYS A 419 105.651 6.684 12.837 1.00 0.81 H new ATOM 0 HD2 LYS A 419 103.837 5.725 11.344 1.00 0.93 H new ATOM 0 HD3 LYS A 419 104.323 4.114 11.834 1.00 0.93 H new ATOM 0 HE2 LYS A 419 103.659 6.193 13.966 1.00 1.33 H new ATOM 0 HE3 LYS A 419 102.366 5.315 13.175 1.00 1.33 H new ATOM 0 HZ1 LYS A 419 103.782 4.324 15.235 1.00 2.49 H new ATOM 0 HZ2 LYS A 419 103.025 3.344 14.073 1.00 2.49 H new ATOM 0 HZ3 LYS A 419 104.680 3.700 13.937 1.00 2.49 H new ATOM 1613 N VAL A 420 108.795 6.643 9.251 1.00 0.56 N ATOM 1614 CA VAL A 420 109.678 6.455 8.060 1.00 0.62 C ATOM 1615 C VAL A 420 111.140 6.690 8.440 1.00 0.71 C ATOM 1616 O VAL A 420 112.037 6.014 7.977 1.00 0.79 O ATOM 1617 CB VAL A 420 109.216 7.521 7.067 1.00 0.60 C ATOM 1618 CG1 VAL A 420 110.154 7.541 5.861 1.00 0.70 C ATOM 1619 CG2 VAL A 420 107.793 7.206 6.601 1.00 0.59 C ATOM 0 H VAL A 420 108.156 7.436 9.193 1.00 0.56 H new ATOM 0 HA VAL A 420 109.613 5.447 7.651 1.00 0.62 H new ATOM 0 HB VAL A 420 109.231 8.496 7.554 1.00 0.60 H new ATOM 0 HG11 VAL A 420 109.822 8.302 5.155 1.00 0.70 H new ATOM 0 HG12 VAL A 420 111.167 7.770 6.192 1.00 0.70 H new ATOM 0 HG13 VAL A 420 110.143 6.565 5.375 1.00 0.70 H new ATOM 0 HG21 VAL A 420 107.465 7.967 5.893 1.00 0.59 H new ATOM 0 HG22 VAL A 420 107.776 6.229 6.117 1.00 0.59 H new ATOM 0 HG23 VAL A 420 107.122 7.197 7.460 1.00 0.59 H new ATOM 1629 N ASP A 421 111.379 7.670 9.256 1.00 0.72 N ATOM 1630 CA ASP A 421 112.775 7.999 9.659 1.00 0.84 C ATOM 1631 C ASP A 421 113.360 6.893 10.542 1.00 0.91 C ATOM 1632 O ASP A 421 114.472 6.448 10.339 1.00 1.00 O ATOM 1633 CB ASP A 421 112.643 9.301 10.441 1.00 0.88 C ATOM 1634 CG ASP A 421 112.351 10.450 9.475 1.00 1.14 C ATOM 1635 OD1 ASP A 421 112.422 10.225 8.278 1.00 2.05 O ATOM 1636 OD2 ASP A 421 112.058 11.536 9.948 1.00 1.25 O ATOM 0 H ASP A 421 110.661 8.266 9.668 1.00 0.72 H new ATOM 0 HA ASP A 421 113.445 8.092 8.804 1.00 0.84 H new ATOM 0 HB2 ASP A 421 111.842 9.217 11.175 1.00 0.88 H new ATOM 0 HB3 ASP A 421 113.561 9.501 10.993 1.00 0.88 H new ATOM 1641 N GLN A 422 112.597 6.405 11.476 1.00 0.89 N ATOM 1642 CA GLN A 422 113.082 5.278 12.323 1.00 0.98 C ATOM 1643 C GLN A 422 113.280 4.032 11.461 1.00 0.98 C ATOM 1644 O GLN A 422 114.216 3.283 11.642 1.00 1.07 O ATOM 1645 CB GLN A 422 111.981 5.061 13.361 1.00 0.99 C ATOM 1646 CG GLN A 422 111.793 6.341 14.180 1.00 1.32 C ATOM 1647 CD GLN A 422 113.095 6.678 14.908 1.00 1.77 C ATOM 1648 OE1 GLN A 422 113.681 5.830 15.553 1.00 2.33 O ATOM 1649 NE2 GLN A 422 113.576 7.888 14.833 1.00 2.33 N ATOM 0 H GLN A 422 111.657 6.737 11.692 1.00 0.89 H new ATOM 0 HA GLN A 422 114.041 5.489 12.797 1.00 0.98 H new ATOM 0 HB2 GLN A 422 111.048 4.793 12.866 1.00 0.99 H new ATOM 0 HB3 GLN A 422 112.244 4.232 14.018 1.00 0.99 H new ATOM 0 HG2 GLN A 422 111.506 7.165 13.526 1.00 1.32 H new ATOM 0 HG3 GLN A 422 110.985 6.209 14.900 1.00 1.32 H new ATOM 0 HE21 GLN A 422 113.085 8.600 14.292 1.00 2.33 H new ATOM 0 HE22 GLN A 422 114.444 8.123 15.315 1.00 2.33 H new ATOM 1658 N VAL A 423 112.487 3.884 10.441 1.00 0.91 N ATOM 1659 CA VAL A 423 112.720 2.782 9.473 1.00 0.94 C ATOM 1660 C VAL A 423 114.090 2.955 8.809 1.00 0.96 C ATOM 1661 O VAL A 423 114.846 2.015 8.670 1.00 1.00 O ATOM 1662 CB VAL A 423 111.602 2.948 8.453 1.00 0.92 C ATOM 1663 CG1 VAL A 423 111.794 1.960 7.306 1.00 0.95 C ATOM 1664 CG2 VAL A 423 110.253 2.697 9.126 1.00 0.99 C ATOM 0 H VAL A 423 111.685 4.480 10.235 1.00 0.91 H new ATOM 0 HA VAL A 423 112.717 1.795 9.935 1.00 0.94 H new ATOM 0 HB VAL A 423 111.627 3.963 8.057 1.00 0.92 H new ATOM 0 HG11 VAL A 423 110.990 2.085 6.580 1.00 0.95 H new ATOM 0 HG12 VAL A 423 112.753 2.146 6.822 1.00 0.95 H new ATOM 0 HG13 VAL A 423 111.776 0.942 7.696 1.00 0.95 H new ATOM 0 HG21 VAL A 423 109.454 2.816 8.395 1.00 0.99 H new ATOM 0 HG22 VAL A 423 110.230 1.684 9.527 1.00 0.99 H new ATOM 0 HG23 VAL A 423 110.112 3.412 9.937 1.00 0.99 H new ATOM 1674 N ALA A 424 114.421 4.156 8.421 1.00 0.98 N ATOM 1675 CA ALA A 424 115.750 4.399 7.790 1.00 1.07 C ATOM 1676 C ALA A 424 116.863 4.293 8.834 1.00 1.17 C ATOM 1677 O ALA A 424 117.839 3.594 8.649 1.00 1.24 O ATOM 1678 CB ALA A 424 115.670 5.824 7.253 1.00 1.09 C ATOM 0 H ALA A 424 113.828 4.981 8.514 1.00 0.98 H new ATOM 0 HA ALA A 424 115.974 3.672 7.010 1.00 1.07 H new ATOM 0 HB1 ALA A 424 116.612 6.084 6.771 1.00 1.09 H new ATOM 0 HB2 ALA A 424 114.859 5.895 6.528 1.00 1.09 H new ATOM 0 HB3 ALA A 424 115.481 6.513 8.076 1.00 1.09 H new ATOM 1684 N ARG A 425 116.723 4.987 9.930 1.00 1.23 N ATOM 1685 CA ARG A 425 117.771 4.932 10.987 1.00 1.39 C ATOM 1686 C ARG A 425 118.027 3.481 11.391 1.00 1.38 C ATOM 1687 O ARG A 425 119.071 3.144 11.912 1.00 1.53 O ATOM 1688 CB ARG A 425 117.197 5.724 12.162 1.00 1.57 C ATOM 1689 CG ARG A 425 117.028 7.191 11.757 1.00 2.17 C ATOM 1690 CD ARG A 425 116.533 7.999 12.958 1.00 2.43 C ATOM 1691 NE ARG A 425 116.176 9.333 12.403 1.00 2.68 N ATOM 1692 CZ ARG A 425 117.114 10.171 12.049 1.00 3.44 C ATOM 1693 NH1 ARG A 425 118.373 9.845 12.178 1.00 4.11 N ATOM 1694 NH2 ARG A 425 116.793 11.340 11.564 1.00 3.73 N ATOM 0 H ARG A 425 115.927 5.590 10.139 1.00 1.23 H new ATOM 0 HA ARG A 425 118.722 5.344 10.650 1.00 1.39 H new ATOM 0 HB2 ARG A 425 116.236 5.306 12.461 1.00 1.57 H new ATOM 0 HB3 ARG A 425 117.860 5.648 13.024 1.00 1.57 H new ATOM 0 HG2 ARG A 425 117.977 7.593 11.401 1.00 2.17 H new ATOM 0 HG3 ARG A 425 116.319 7.272 10.933 1.00 2.17 H new ATOM 0 HD2 ARG A 425 115.672 7.523 13.426 1.00 2.43 H new ATOM 0 HD3 ARG A 425 117.305 8.083 13.723 1.00 2.43 H new ATOM 0 HE ARG A 425 115.196 9.594 12.299 1.00 2.68 H new ATOM 0 HH11 ARG A 425 118.627 8.933 12.557 1.00 4.11 H new ATOM 0 HH12 ARG A 425 119.101 10.503 11.900 1.00 4.11 H new ATOM 0 HH21 ARG A 425 115.811 11.598 11.462 1.00 3.73 H new ATOM 0 HH22 ARG A 425 117.524 11.995 11.287 1.00 3.73 H new ATOM 1708 N GLN A 426 117.082 2.616 11.146 1.00 1.26 N ATOM 1709 CA GLN A 426 117.278 1.179 11.508 1.00 1.33 C ATOM 1710 C GLN A 426 117.875 0.402 10.332 1.00 1.26 C ATOM 1711 O GLN A 426 118.082 -0.793 10.408 1.00 1.33 O ATOM 1712 CB GLN A 426 115.884 0.661 11.854 1.00 1.34 C ATOM 1713 CG GLN A 426 115.410 1.330 13.143 1.00 1.95 C ATOM 1714 CD GLN A 426 113.952 0.949 13.413 1.00 2.42 C ATOM 1715 OE1 GLN A 426 113.263 0.476 12.531 1.00 2.68 O ATOM 1716 NE2 GLN A 426 113.452 1.138 14.602 1.00 2.92 N ATOM 0 H GLN A 426 116.186 2.838 10.713 1.00 1.26 H new ATOM 0 HA GLN A 426 117.972 1.058 12.340 1.00 1.33 H new ATOM 0 HB2 GLN A 426 115.190 0.876 11.041 1.00 1.34 H new ATOM 0 HB3 GLN A 426 115.905 -0.422 11.978 1.00 1.34 H new ATOM 0 HG2 GLN A 426 116.038 1.020 13.978 1.00 1.95 H new ATOM 0 HG3 GLN A 426 115.504 2.413 13.059 1.00 1.95 H new ATOM 0 HE21 GLN A 426 114.031 1.535 15.342 1.00 2.92 H new ATOM 0 HE22 GLN A 426 112.481 0.889 14.793 1.00 2.92 H new ATOM 1725 N GLY A 427 118.230 1.082 9.280 1.00 1.16 N ATOM 1726 CA GLY A 427 118.904 0.392 8.140 1.00 1.14 C ATOM 1727 C GLY A 427 117.852 -0.144 7.166 1.00 1.07 C ATOM 1728 O GLY A 427 118.163 -0.864 6.238 1.00 1.11 O ATOM 0 H GLY A 427 118.084 2.084 9.157 1.00 1.16 H new ATOM 0 HA2 GLY A 427 119.570 1.085 7.626 1.00 1.14 H new ATOM 0 HA3 GLY A 427 119.520 -0.427 8.511 1.00 1.14 H new ATOM 1732 N ALA A 428 116.620 0.233 7.346 1.00 1.07 N ATOM 1733 CA ALA A 428 115.553 -0.214 6.406 1.00 1.00 C ATOM 1734 C ALA A 428 115.182 0.926 5.460 1.00 0.94 C ATOM 1735 O ALA A 428 115.269 2.085 5.810 1.00 0.97 O ATOM 1736 CB ALA A 428 114.366 -0.576 7.299 1.00 1.04 C ATOM 0 H ALA A 428 116.302 0.834 8.106 1.00 1.07 H new ATOM 0 HA ALA A 428 115.868 -1.055 5.788 1.00 1.00 H new ATOM 0 HB1 ALA A 428 113.536 -0.916 6.680 1.00 1.04 H new ATOM 0 HB2 ALA A 428 114.656 -1.371 7.986 1.00 1.04 H new ATOM 0 HB3 ALA A 428 114.059 0.301 7.869 1.00 1.04 H new ATOM 1742 N THR A 429 114.659 0.606 4.311 1.00 0.92 N ATOM 1743 CA THR A 429 114.155 1.675 3.405 1.00 0.88 C ATOM 1744 C THR A 429 112.667 1.881 3.667 1.00 0.65 C ATOM 1745 O THR A 429 111.863 1.018 3.377 1.00 0.62 O ATOM 1746 CB THR A 429 114.381 1.151 1.982 1.00 1.00 C ATOM 1747 OG1 THR A 429 115.742 1.342 1.623 1.00 1.21 O ATOM 1748 CG2 THR A 429 113.480 1.905 0.994 1.00 1.00 C ATOM 0 H THR A 429 114.559 -0.346 3.960 1.00 0.92 H new ATOM 0 HA THR A 429 114.660 2.629 3.558 1.00 0.88 H new ATOM 0 HB THR A 429 114.135 0.090 1.947 1.00 1.00 H new ATOM 0 HG1 THR A 429 115.794 1.918 0.832 1.00 1.21 H new ATOM 0 HG21 THR A 429 113.648 1.526 -0.014 1.00 1.00 H new ATOM 0 HG22 THR A 429 112.435 1.757 1.268 1.00 1.00 H new ATOM 0 HG23 THR A 429 113.716 2.969 1.025 1.00 1.00 H new ATOM 1756 N PRO A 430 112.354 3.003 4.246 1.00 0.70 N ATOM 1757 CA PRO A 430 110.954 3.310 4.589 1.00 0.55 C ATOM 1758 C PRO A 430 110.191 3.745 3.339 1.00 0.54 C ATOM 1759 O PRO A 430 110.276 4.883 2.920 1.00 0.68 O ATOM 1760 CB PRO A 430 111.056 4.469 5.586 1.00 0.81 C ATOM 1761 CG PRO A 430 112.524 4.737 5.778 1.00 1.20 C ATOM 1762 CD PRO A 430 113.255 4.079 4.642 1.00 1.04 C ATOM 0 HA PRO A 430 110.422 2.453 5.001 1.00 0.55 H new ATOM 0 HB2 PRO A 430 110.546 5.354 5.206 1.00 0.81 H new ATOM 0 HB3 PRO A 430 110.582 4.210 6.533 1.00 0.81 H new ATOM 0 HG2 PRO A 430 112.720 5.809 5.790 1.00 1.20 H new ATOM 0 HG3 PRO A 430 112.864 4.340 6.734 1.00 1.20 H new ATOM 0 HD2 PRO A 430 113.436 4.775 3.823 1.00 1.04 H new ATOM 0 HD3 PRO A 430 114.226 3.696 4.956 1.00 1.04 H new ATOM 1770 N LEU A 431 109.253 2.947 2.919 1.00 0.47 N ATOM 1771 CA LEU A 431 108.276 3.438 1.918 1.00 0.56 C ATOM 1772 C LEU A 431 107.095 4.051 2.662 1.00 0.54 C ATOM 1773 O LEU A 431 106.851 3.734 3.804 1.00 0.59 O ATOM 1774 CB LEU A 431 107.816 2.208 1.135 1.00 0.59 C ATOM 1775 CG LEU A 431 108.985 1.606 0.363 1.00 0.59 C ATOM 1776 CD1 LEU A 431 108.471 0.454 -0.502 1.00 1.14 C ATOM 1777 CD2 LEU A 431 109.604 2.676 -0.536 1.00 1.40 C ATOM 0 H LEU A 431 109.122 1.983 3.224 1.00 0.47 H new ATOM 0 HA LEU A 431 108.702 4.188 1.252 1.00 0.56 H new ATOM 0 HB2 LEU A 431 107.402 1.467 1.819 1.00 0.59 H new ATOM 0 HB3 LEU A 431 107.019 2.485 0.445 1.00 0.59 H new ATOM 0 HG LEU A 431 109.737 1.238 1.061 1.00 0.59 H new ATOM 0 HD11 LEU A 431 109.301 0.018 -1.058 1.00 1.14 H new ATOM 0 HD12 LEU A 431 108.021 -0.307 0.136 1.00 1.14 H new ATOM 0 HD13 LEU A 431 107.724 0.829 -1.201 1.00 1.14 H new ATOM 0 HD21 LEU A 431 110.440 2.248 -1.089 1.00 1.40 H new ATOM 0 HD22 LEU A 431 108.854 3.040 -1.238 1.00 1.40 H new ATOM 0 HD23 LEU A 431 109.960 3.504 0.077 1.00 1.40 H new ATOM 1789 N VAL A 432 106.308 4.847 2.014 1.00 0.49 N ATOM 1790 CA VAL A 432 105.093 5.367 2.693 1.00 0.48 C ATOM 1791 C VAL A 432 103.850 5.058 1.858 1.00 0.48 C ATOM 1792 O VAL A 432 103.872 5.124 0.645 1.00 0.52 O ATOM 1793 CB VAL A 432 105.312 6.871 2.816 1.00 0.43 C ATOM 1794 CG1 VAL A 432 104.123 7.505 3.541 1.00 0.45 C ATOM 1795 CG2 VAL A 432 106.592 7.135 3.612 1.00 0.51 C ATOM 0 H VAL A 432 106.446 5.161 1.053 1.00 0.49 H new ATOM 0 HA VAL A 432 104.936 4.908 3.669 1.00 0.48 H new ATOM 0 HB VAL A 432 105.404 7.306 1.821 1.00 0.43 H new ATOM 0 HG11 VAL A 432 104.281 8.580 3.628 1.00 0.45 H new ATOM 0 HG12 VAL A 432 103.210 7.317 2.976 1.00 0.45 H new ATOM 0 HG13 VAL A 432 104.030 7.070 4.536 1.00 0.45 H new ATOM 0 HG21 VAL A 432 106.750 8.210 3.701 1.00 0.51 H new ATOM 0 HG22 VAL A 432 106.499 6.699 4.606 1.00 0.51 H new ATOM 0 HG23 VAL A 432 107.440 6.685 3.096 1.00 0.51 H new ATOM 1805 N VAL A 433 102.781 4.686 2.502 1.00 0.44 N ATOM 1806 CA VAL A 433 101.539 4.332 1.763 1.00 0.45 C ATOM 1807 C VAL A 433 100.401 5.255 2.195 1.00 0.37 C ATOM 1808 O VAL A 433 100.218 5.520 3.369 1.00 0.37 O ATOM 1809 CB VAL A 433 101.233 2.890 2.164 1.00 0.56 C ATOM 1810 CG1 VAL A 433 100.087 2.351 1.305 1.00 0.59 C ATOM 1811 CG2 VAL A 433 102.478 2.025 1.951 1.00 1.08 C ATOM 0 H VAL A 433 102.714 4.611 3.517 1.00 0.44 H new ATOM 0 HA VAL A 433 101.653 4.437 0.684 1.00 0.45 H new ATOM 0 HB VAL A 433 100.944 2.861 3.215 1.00 0.56 H new ATOM 0 HG11 VAL A 433 99.870 1.322 1.592 1.00 0.59 H new ATOM 0 HG12 VAL A 433 99.199 2.965 1.456 1.00 0.59 H new ATOM 0 HG13 VAL A 433 100.375 2.381 0.254 1.00 0.59 H new ATOM 0 HG21 VAL A 433 102.260 0.996 2.237 1.00 1.08 H new ATOM 0 HG22 VAL A 433 102.767 2.056 0.900 1.00 1.08 H new ATOM 0 HG23 VAL A 433 103.295 2.406 2.564 1.00 1.08 H new ATOM 1821 N VAL A 434 99.624 5.724 1.261 1.00 0.43 N ATOM 1822 CA VAL A 434 98.482 6.610 1.615 1.00 0.43 C ATOM 1823 C VAL A 434 97.165 5.923 1.254 1.00 0.48 C ATOM 1824 O VAL A 434 97.099 5.169 0.302 1.00 0.90 O ATOM 1825 CB VAL A 434 98.672 7.900 0.788 1.00 0.53 C ATOM 1826 CG1 VAL A 434 100.153 8.273 0.733 1.00 0.70 C ATOM 1827 CG2 VAL A 434 98.140 7.708 -0.638 1.00 0.49 C ATOM 0 H VAL A 434 99.731 5.532 0.265 1.00 0.43 H new ATOM 0 HA VAL A 434 98.451 6.831 2.682 1.00 0.43 H new ATOM 0 HB VAL A 434 98.113 8.702 1.269 1.00 0.53 H new ATOM 0 HG11 VAL A 434 100.277 9.184 0.148 1.00 0.70 H new ATOM 0 HG12 VAL A 434 100.524 8.438 1.744 1.00 0.70 H new ATOM 0 HG13 VAL A 434 100.715 7.463 0.268 1.00 0.70 H new ATOM 0 HG21 VAL A 434 98.282 8.627 -1.206 1.00 0.49 H new ATOM 0 HG22 VAL A 434 98.681 6.895 -1.122 1.00 0.49 H new ATOM 0 HG23 VAL A 434 97.078 7.465 -0.601 1.00 0.49 H new ATOM 1837 N GLU A 435 96.093 6.404 1.803 1.00 0.61 N ATOM 1838 CA GLU A 435 94.761 6.026 1.265 1.00 0.60 C ATOM 1839 C GLU A 435 94.013 7.292 0.882 1.00 0.62 C ATOM 1840 O GLU A 435 93.994 8.256 1.620 1.00 0.67 O ATOM 1841 CB GLU A 435 94.050 5.295 2.400 1.00 0.70 C ATOM 1842 CG GLU A 435 94.179 3.795 2.181 1.00 0.76 C ATOM 1843 CD GLU A 435 93.462 3.047 3.307 1.00 1.13 C ATOM 1844 OE1 GLU A 435 93.041 3.697 4.250 1.00 1.79 O ATOM 1845 OE2 GLU A 435 93.347 1.837 3.208 1.00 1.34 O ATOM 0 H GLU A 435 96.079 7.041 2.599 1.00 0.61 H new ATOM 0 HA GLU A 435 94.825 5.395 0.379 1.00 0.60 H new ATOM 0 HB2 GLU A 435 94.486 5.574 3.359 1.00 0.70 H new ATOM 0 HB3 GLU A 435 92.999 5.582 2.432 1.00 0.70 H new ATOM 0 HG2 GLU A 435 93.750 3.520 1.218 1.00 0.76 H new ATOM 0 HG3 GLU A 435 95.231 3.511 2.154 1.00 0.76 H new ATOM 1852 N GLY A 436 93.572 7.373 -0.336 1.00 0.61 N ATOM 1853 CA GLY A 436 93.041 8.673 -0.817 1.00 0.64 C ATOM 1854 C GLY A 436 94.186 9.690 -0.839 1.00 0.68 C ATOM 1855 O GLY A 436 95.072 9.625 -1.667 1.00 1.42 O ATOM 0 H GLY A 436 93.555 6.609 -1.011 1.00 0.61 H new ATOM 0 HA2 GLY A 436 92.614 8.562 -1.814 1.00 0.64 H new ATOM 0 HA3 GLY A 436 92.240 9.019 -0.164 1.00 0.64 H new ATOM 1859 N SER A 437 94.156 10.645 0.048 1.00 0.84 N ATOM 1860 CA SER A 437 95.219 11.690 0.065 1.00 0.81 C ATOM 1861 C SER A 437 95.904 11.752 1.438 1.00 0.83 C ATOM 1862 O SER A 437 96.559 12.723 1.763 1.00 1.35 O ATOM 1863 CB SER A 437 94.485 12.998 -0.221 1.00 0.80 C ATOM 1864 OG SER A 437 93.862 13.458 0.971 1.00 1.42 O ATOM 0 H SER A 437 93.438 10.748 0.765 1.00 0.84 H new ATOM 0 HA SER A 437 96.003 11.485 -0.664 1.00 0.81 H new ATOM 0 HB2 SER A 437 95.185 13.747 -0.592 1.00 0.80 H new ATOM 0 HB3 SER A 437 93.738 12.846 -1.000 1.00 0.80 H new ATOM 0 HG SER A 437 93.391 14.299 0.791 1.00 1.42 H new ATOM 1870 N ARG A 438 95.763 10.736 2.250 1.00 0.53 N ATOM 1871 CA ARG A 438 96.409 10.766 3.588 1.00 0.62 C ATOM 1872 C ARG A 438 97.231 9.492 3.794 1.00 0.65 C ATOM 1873 O ARG A 438 97.150 8.560 3.026 1.00 0.69 O ATOM 1874 CB ARG A 438 95.251 10.846 4.584 1.00 0.78 C ATOM 1875 CG ARG A 438 94.628 9.464 4.754 1.00 1.34 C ATOM 1876 CD ARG A 438 95.430 8.666 5.776 1.00 1.53 C ATOM 1877 NE ARG A 438 94.424 7.836 6.496 1.00 2.25 N ATOM 1878 CZ ARG A 438 93.533 8.403 7.265 1.00 2.95 C ATOM 1879 NH1 ARG A 438 93.517 9.701 7.410 1.00 3.49 N ATOM 1880 NH2 ARG A 438 92.653 7.670 7.890 1.00 3.52 N ATOM 0 H ARG A 438 95.230 9.892 2.042 1.00 0.53 H new ATOM 0 HA ARG A 438 97.095 11.605 3.708 1.00 0.62 H new ATOM 0 HB2 ARG A 438 95.609 11.216 5.545 1.00 0.78 H new ATOM 0 HB3 ARG A 438 94.501 11.553 4.230 1.00 0.78 H new ATOM 0 HG2 ARG A 438 93.593 9.558 5.082 1.00 1.34 H new ATOM 0 HG3 ARG A 438 94.613 8.940 3.798 1.00 1.34 H new ATOM 0 HD2 ARG A 438 96.180 8.042 5.289 1.00 1.53 H new ATOM 0 HD3 ARG A 438 95.961 9.325 6.462 1.00 1.53 H new ATOM 0 HE ARG A 438 94.431 6.822 6.388 1.00 2.25 H new ATOM 0 HH11 ARG A 438 94.202 10.277 6.922 1.00 3.49 H new ATOM 0 HH12 ARG A 438 92.819 10.138 8.012 1.00 3.49 H new ATOM 0 HH21 ARG A 438 92.662 6.656 7.778 1.00 3.52 H new ATOM 0 HH22 ARG A 438 91.957 8.111 8.491 1.00 3.52 H new ATOM 1894 N VAL A 439 98.072 9.479 4.777 1.00 0.67 N ATOM 1895 CA VAL A 439 98.977 8.308 4.963 1.00 0.74 C ATOM 1896 C VAL A 439 98.329 7.251 5.856 1.00 0.93 C ATOM 1897 O VAL A 439 98.012 7.502 7.002 1.00 1.41 O ATOM 1898 CB VAL A 439 100.225 8.878 5.635 1.00 0.89 C ATOM 1899 CG1 VAL A 439 101.288 7.783 5.740 1.00 0.99 C ATOM 1900 CG2 VAL A 439 100.770 10.037 4.797 1.00 0.86 C ATOM 0 H VAL A 439 98.178 10.225 5.464 1.00 0.67 H new ATOM 0 HA VAL A 439 99.202 7.817 4.016 1.00 0.74 H new ATOM 0 HB VAL A 439 99.971 9.238 6.632 1.00 0.89 H new ATOM 0 HG11 VAL A 439 102.180 8.187 6.219 1.00 0.99 H new ATOM 0 HG12 VAL A 439 100.900 6.955 6.334 1.00 0.99 H new ATOM 0 HG13 VAL A 439 101.542 7.426 4.742 1.00 0.99 H new ATOM 0 HG21 VAL A 439 101.661 10.445 5.275 1.00 0.86 H new ATOM 0 HG22 VAL A 439 101.026 9.677 3.801 1.00 0.86 H new ATOM 0 HG23 VAL A 439 100.012 10.816 4.717 1.00 0.86 H new ATOM 1910 N LEU A 440 98.230 6.042 5.373 1.00 0.79 N ATOM 1911 CA LEU A 440 97.718 4.942 6.237 1.00 1.07 C ATOM 1912 C LEU A 440 98.858 4.351 7.071 1.00 0.74 C ATOM 1913 O LEU A 440 98.652 3.909 8.183 1.00 0.88 O ATOM 1914 CB LEU A 440 97.137 3.894 5.283 1.00 1.60 C ATOM 1915 CG LEU A 440 98.189 3.471 4.256 1.00 1.48 C ATOM 1916 CD1 LEU A 440 98.540 1.998 4.462 1.00 1.79 C ATOM 1917 CD2 LEU A 440 97.621 3.659 2.849 1.00 1.57 C ATOM 0 H LEU A 440 98.480 5.770 4.422 1.00 0.79 H new ATOM 0 HA LEU A 440 96.962 5.296 6.939 1.00 1.07 H new ATOM 0 HB2 LEU A 440 96.800 3.025 5.848 1.00 1.60 H new ATOM 0 HB3 LEU A 440 96.264 4.301 4.773 1.00 1.60 H new ATOM 0 HG LEU A 440 99.084 4.080 4.379 1.00 1.48 H new ATOM 0 HD11 LEU A 440 99.290 1.697 3.730 1.00 1.79 H new ATOM 0 HD12 LEU A 440 98.937 1.856 5.467 1.00 1.79 H new ATOM 0 HD13 LEU A 440 97.645 1.389 4.336 1.00 1.79 H new ATOM 0 HD21 LEU A 440 98.367 3.359 2.113 1.00 1.57 H new ATOM 0 HD22 LEU A 440 96.728 3.045 2.732 1.00 1.57 H new ATOM 0 HD23 LEU A 440 97.363 4.707 2.698 1.00 1.57 H new ATOM 1929 N GLY A 441 100.066 4.374 6.569 1.00 0.64 N ATOM 1930 CA GLY A 441 101.200 3.844 7.387 1.00 1.02 C ATOM 1931 C GLY A 441 102.509 3.865 6.593 1.00 0.82 C ATOM 1932 O GLY A 441 102.569 4.335 5.477 1.00 0.96 O ATOM 0 H GLY A 441 100.315 4.729 5.646 1.00 0.64 H new ATOM 0 HA2 GLY A 441 101.310 4.442 8.292 1.00 1.02 H new ATOM 0 HA3 GLY A 441 100.979 2.825 7.703 1.00 1.02 H new ATOM 1936 N VAL A 442 103.566 3.373 7.187 1.00 0.56 N ATOM 1937 CA VAL A 442 104.896 3.371 6.507 1.00 0.44 C ATOM 1938 C VAL A 442 105.448 1.941 6.449 1.00 0.41 C ATOM 1939 O VAL A 442 105.046 1.083 7.210 1.00 0.41 O ATOM 1940 CB VAL A 442 105.785 4.247 7.386 1.00 0.42 C ATOM 1941 CG1 VAL A 442 107.169 4.359 6.755 1.00 0.44 C ATOM 1942 CG2 VAL A 442 105.165 5.642 7.509 1.00 0.57 C ATOM 0 H VAL A 442 103.564 2.969 8.123 1.00 0.56 H new ATOM 0 HA VAL A 442 104.843 3.739 5.483 1.00 0.44 H new ATOM 0 HB VAL A 442 105.872 3.800 8.376 1.00 0.42 H new ATOM 0 HG11 VAL A 442 107.805 4.984 7.382 1.00 0.44 H new ATOM 0 HG12 VAL A 442 107.610 3.366 6.667 1.00 0.44 H new ATOM 0 HG13 VAL A 442 107.082 4.807 5.765 1.00 0.44 H new ATOM 0 HG21 VAL A 442 105.799 6.268 8.137 1.00 0.57 H new ATOM 0 HG22 VAL A 442 105.078 6.090 6.519 1.00 0.57 H new ATOM 0 HG23 VAL A 442 104.175 5.562 7.959 1.00 0.57 H new ATOM 1952 N ILE A 443 106.315 1.656 5.513 1.00 0.42 N ATOM 1953 CA ILE A 443 106.823 0.254 5.374 1.00 0.43 C ATOM 1954 C ILE A 443 108.349 0.209 5.472 1.00 0.44 C ATOM 1955 O ILE A 443 109.047 0.938 4.804 1.00 0.51 O ATOM 1956 CB ILE A 443 106.377 -0.206 3.986 1.00 0.47 C ATOM 1957 CG1 ILE A 443 104.900 0.140 3.776 1.00 0.51 C ATOM 1958 CG2 ILE A 443 106.563 -1.719 3.870 1.00 0.56 C ATOM 1959 CD1 ILE A 443 104.087 -0.315 4.988 1.00 1.05 C ATOM 0 H ILE A 443 106.692 2.326 4.842 1.00 0.42 H new ATOM 0 HA ILE A 443 106.436 -0.386 6.167 1.00 0.43 H new ATOM 0 HB ILE A 443 106.977 0.298 3.229 1.00 0.47 H new ATOM 0 HG12 ILE A 443 104.785 1.214 3.631 1.00 0.51 H new ATOM 0 HG13 ILE A 443 104.528 -0.345 2.873 1.00 0.51 H new ATOM 0 HG21 ILE A 443 106.246 -2.050 2.881 1.00 0.56 H new ATOM 0 HG22 ILE A 443 107.614 -1.969 4.016 1.00 0.56 H new ATOM 0 HG23 ILE A 443 105.962 -2.219 4.630 1.00 0.56 H new ATOM 0 HD11 ILE A 443 103.037 -0.067 4.835 1.00 1.05 H new ATOM 0 HD12 ILE A 443 104.191 -1.393 5.112 1.00 1.05 H new ATOM 0 HD13 ILE A 443 104.453 0.190 5.882 1.00 1.05 H new ATOM 1971 N ALA A 444 108.866 -0.661 6.291 1.00 0.40 N ATOM 1972 CA ALA A 444 110.347 -0.780 6.429 1.00 0.44 C ATOM 1973 C ALA A 444 110.855 -1.994 5.651 1.00 0.43 C ATOM 1974 O ALA A 444 110.412 -3.103 5.867 1.00 0.45 O ATOM 1975 CB ALA A 444 110.584 -0.976 7.926 1.00 0.46 C ATOM 0 H ALA A 444 108.326 -1.299 6.875 1.00 0.40 H new ATOM 0 HA ALA A 444 110.870 0.092 6.037 1.00 0.44 H new ATOM 0 HB1 ALA A 444 111.653 -1.073 8.116 1.00 0.46 H new ATOM 0 HB2 ALA A 444 110.195 -0.116 8.472 1.00 0.46 H new ATOM 0 HB3 ALA A 444 110.073 -1.879 8.260 1.00 0.46 H new ATOM 1981 N LEU A 445 111.717 -1.788 4.696 1.00 0.57 N ATOM 1982 CA LEU A 445 112.174 -2.928 3.850 1.00 0.63 C ATOM 1983 C LEU A 445 113.612 -3.312 4.205 1.00 0.75 C ATOM 1984 O LEU A 445 114.446 -2.458 4.425 1.00 0.92 O ATOM 1985 CB LEU A 445 112.111 -2.408 2.413 1.00 0.81 C ATOM 1986 CG LEU A 445 110.670 -2.445 1.897 1.00 1.23 C ATOM 1987 CD1 LEU A 445 109.726 -1.836 2.935 1.00 2.11 C ATOM 1988 CD2 LEU A 445 110.579 -1.641 0.598 1.00 1.91 C ATOM 0 H LEU A 445 112.125 -0.882 4.464 1.00 0.57 H new ATOM 0 HA LEU A 445 111.558 -3.815 3.996 1.00 0.63 H new ATOM 0 HB2 LEU A 445 112.493 -1.388 2.371 1.00 0.81 H new ATOM 0 HB3 LEU A 445 112.750 -3.015 1.771 1.00 0.81 H new ATOM 0 HG LEU A 445 110.381 -3.480 1.715 1.00 1.23 H new ATOM 0 HD11 LEU A 445 108.703 -1.867 2.559 1.00 2.11 H new ATOM 0 HD12 LEU A 445 109.789 -2.405 3.862 1.00 2.11 H new ATOM 0 HD13 LEU A 445 110.012 -0.801 3.124 1.00 2.11 H new ATOM 0 HD21 LEU A 445 109.554 -1.664 0.227 1.00 1.91 H new ATOM 0 HD22 LEU A 445 110.873 -0.609 0.788 1.00 1.91 H new ATOM 0 HD23 LEU A 445 111.245 -2.077 -0.147 1.00 1.91 H new ATOM 2000 N LYS A 446 113.947 -4.567 4.083 1.00 0.89 N ATOM 2001 CA LYS A 446 115.375 -4.968 4.218 1.00 1.15 C ATOM 2002 C LYS A 446 116.018 -5.018 2.833 1.00 1.27 C ATOM 2003 O LYS A 446 115.488 -5.612 1.920 1.00 1.87 O ATOM 2004 CB LYS A 446 115.342 -6.364 4.841 1.00 1.92 C ATOM 2005 CG LYS A 446 114.786 -7.362 3.823 1.00 2.25 C ATOM 2006 CD LYS A 446 114.657 -8.741 4.473 1.00 2.85 C ATOM 2007 CE LYS A 446 114.360 -9.786 3.395 1.00 3.64 C ATOM 2008 NZ LYS A 446 114.892 -11.065 3.944 1.00 4.48 N ATOM 0 H LYS A 446 113.296 -5.330 3.896 1.00 0.89 H new ATOM 0 HA LYS A 446 115.952 -4.271 4.826 1.00 1.15 H new ATOM 0 HB2 LYS A 446 116.345 -6.661 5.148 1.00 1.92 H new ATOM 0 HB3 LYS A 446 114.723 -6.359 5.738 1.00 1.92 H new ATOM 0 HG2 LYS A 446 113.813 -7.026 3.463 1.00 2.25 H new ATOM 0 HG3 LYS A 446 115.445 -7.418 2.956 1.00 2.25 H new ATOM 0 HD2 LYS A 446 115.578 -8.995 4.998 1.00 2.85 H new ATOM 0 HD3 LYS A 446 113.859 -8.732 5.216 1.00 2.85 H new ATOM 0 HE2 LYS A 446 113.291 -9.856 3.196 1.00 3.64 H new ATOM 0 HE3 LYS A 446 114.843 -9.529 2.452 1.00 3.64 H new ATOM 0 HZ1 LYS A 446 114.726 -11.832 3.261 1.00 4.48 H new ATOM 0 HZ2 LYS A 446 115.913 -10.971 4.117 1.00 4.48 H new ATOM 0 HZ3 LYS A 446 114.409 -11.287 4.838 1.00 4.48 H new ATOM 2022 N ASP A 447 117.128 -4.363 2.651 1.00 1.33 N ATOM 2023 CA ASP A 447 117.758 -4.348 1.302 1.00 2.04 C ATOM 2024 C ASP A 447 118.694 -5.549 1.151 1.00 1.83 C ATOM 2025 O ASP A 447 119.481 -5.845 2.027 1.00 2.21 O ATOM 2026 CB ASP A 447 118.547 -3.043 1.247 1.00 2.93 C ATOM 2027 CG ASP A 447 117.589 -1.859 1.391 1.00 3.02 C ATOM 2028 OD1 ASP A 447 116.409 -2.044 1.143 1.00 3.91 O ATOM 2029 OD2 ASP A 447 118.051 -0.789 1.751 1.00 2.75 O ATOM 0 H ASP A 447 117.625 -3.840 3.372 1.00 1.33 H new ATOM 0 HA ASP A 447 117.023 -4.411 0.499 1.00 2.04 H new ATOM 0 HB2 ASP A 447 119.290 -3.022 2.044 1.00 2.93 H new ATOM 0 HB3 ASP A 447 119.089 -2.973 0.304 1.00 2.93 H new ATOM 2034 N ILE A 448 118.611 -6.249 0.053 1.00 2.00 N ATOM 2035 CA ILE A 448 119.500 -7.434 -0.130 1.00 2.26 C ATOM 2036 C ILE A 448 120.951 -7.005 0.048 1.00 2.39 C ATOM 2037 O ILE A 448 121.712 -7.603 0.782 1.00 2.75 O ATOM 2038 CB ILE A 448 119.271 -7.897 -1.572 1.00 2.53 C ATOM 2039 CG1 ILE A 448 117.770 -8.051 -1.863 1.00 3.34 C ATOM 2040 CG2 ILE A 448 119.971 -9.237 -1.786 1.00 2.71 C ATOM 2041 CD1 ILE A 448 117.033 -8.586 -0.634 1.00 3.61 C ATOM 0 H ILE A 448 117.973 -6.056 -0.719 1.00 2.00 H new ATOM 0 HA ILE A 448 119.288 -8.226 0.589 1.00 2.26 H new ATOM 0 HB ILE A 448 119.680 -7.148 -2.250 1.00 2.53 H new ATOM 0 HG12 ILE A 448 117.350 -7.088 -2.154 1.00 3.34 H new ATOM 0 HG13 ILE A 448 117.625 -8.729 -2.704 1.00 3.34 H new ATOM 0 HG21 ILE A 448 119.811 -9.571 -2.811 1.00 2.71 H new ATOM 0 HG22 ILE A 448 121.040 -9.122 -1.604 1.00 2.71 H new ATOM 0 HG23 ILE A 448 119.563 -9.975 -1.096 1.00 2.71 H new ATOM 0 HD11 ILE A 448 115.972 -8.687 -0.862 1.00 3.61 H new ATOM 0 HD12 ILE A 448 117.440 -9.559 -0.361 1.00 3.61 H new ATOM 0 HD13 ILE A 448 117.161 -7.893 0.197 1.00 3.61 H new ATOM 2053 N VAL A 449 121.327 -5.963 -0.627 1.00 2.65 N ATOM 2054 CA VAL A 449 122.726 -5.460 -0.521 1.00 3.38 C ATOM 2055 C VAL A 449 122.777 -4.235 0.397 1.00 3.99 C ATOM 2056 O VAL A 449 121.983 -3.324 0.278 1.00 4.70 O ATOM 2057 CB VAL A 449 123.111 -5.070 -1.948 1.00 4.18 C ATOM 2058 CG1 VAL A 449 124.570 -4.614 -1.976 1.00 5.09 C ATOM 2059 CG2 VAL A 449 122.937 -6.280 -2.869 1.00 4.27 C ATOM 0 H VAL A 449 120.724 -5.431 -1.254 1.00 2.65 H new ATOM 0 HA VAL A 449 123.403 -6.204 -0.101 1.00 3.38 H new ATOM 0 HB VAL A 449 122.470 -4.257 -2.289 1.00 4.18 H new ATOM 0 HG11 VAL A 449 124.845 -4.336 -2.993 1.00 5.09 H new ATOM 0 HG12 VAL A 449 124.695 -3.754 -1.318 1.00 5.09 H new ATOM 0 HG13 VAL A 449 125.212 -5.427 -1.636 1.00 5.09 H new ATOM 0 HG21 VAL A 449 123.211 -6.004 -3.887 1.00 4.27 H new ATOM 0 HG22 VAL A 449 123.579 -7.092 -2.528 1.00 4.27 H new ATOM 0 HG23 VAL A 449 121.897 -6.606 -2.849 1.00 4.27 H new ATOM 2069 N LYS A 450 123.718 -4.198 1.301 1.00 4.08 N ATOM 2070 CA LYS A 450 123.831 -3.021 2.210 1.00 5.12 C ATOM 2071 C LYS A 450 124.780 -1.979 1.610 1.00 5.65 C ATOM 2072 O LYS A 450 125.859 -2.298 1.154 1.00 6.68 O ATOM 2073 CB LYS A 450 124.400 -3.578 3.515 1.00 5.87 C ATOM 2074 CG LYS A 450 124.341 -2.499 4.599 1.00 5.93 C ATOM 2075 CD LYS A 450 124.963 -3.037 5.889 1.00 6.39 C ATOM 2076 CE LYS A 450 124.765 -2.018 7.014 1.00 6.77 C ATOM 2077 NZ LYS A 450 124.537 -2.837 8.238 1.00 7.50 N ATOM 0 H LYS A 450 124.412 -4.930 1.450 1.00 4.08 H new ATOM 0 HA LYS A 450 122.872 -2.526 2.364 1.00 5.12 H new ATOM 0 HB2 LYS A 450 123.831 -4.454 3.827 1.00 5.87 H new ATOM 0 HB3 LYS A 450 125.430 -3.903 3.366 1.00 5.87 H new ATOM 0 HG2 LYS A 450 124.875 -1.608 4.269 1.00 5.93 H new ATOM 0 HG3 LYS A 450 123.307 -2.203 4.777 1.00 5.93 H new ATOM 0 HD2 LYS A 450 124.502 -3.987 6.159 1.00 6.39 H new ATOM 0 HD3 LYS A 450 126.026 -3.229 5.741 1.00 6.39 H new ATOM 0 HE2 LYS A 450 125.640 -1.377 7.125 1.00 6.77 H new ATOM 0 HE3 LYS A 450 123.916 -1.366 6.811 1.00 6.77 H new ATOM 0 HZ1 LYS A 450 124.393 -2.209 9.054 1.00 7.50 H new ATOM 0 HZ2 LYS A 450 123.694 -3.432 8.106 1.00 7.50 H new ATOM 0 HZ3 LYS A 450 125.365 -3.443 8.410 1.00 7.50 H new ATOM 2091 N GLY A 451 124.384 -0.735 1.605 1.00 5.14 N ATOM 2092 CA GLY A 451 125.262 0.325 1.032 1.00 5.92 C ATOM 2093 C GLY A 451 126.578 0.373 1.810 1.00 6.73 C ATOM 2094 O GLY A 451 127.506 1.002 1.327 1.00 7.01 O ATOM 2095 OXT GLY A 451 126.636 -0.219 2.875 1.00 7.30 O ATOM 0 H GLY A 451 123.491 -0.407 1.973 1.00 5.14 H new ATOM 0 HA2 GLY A 451 125.457 0.121 -0.021 1.00 5.92 H new ATOM 0 HA3 GLY A 451 124.762 1.292 1.082 1.00 5.92 H new TER 2099 GLY A 451 HETATM 2100 PG ANP A1001 118.417 1.212 -8.426 1.00 0.00 P HETATM 2101 O1G ANP A1001 119.035 0.746 -7.133 1.00 0.00 O HETATM 2102 O2G ANP A1001 118.081 0.043 -9.318 1.00 0.00 O HETATM 2103 O3G ANP A1001 119.313 2.195 -9.134 1.00 0.00 O HETATM 2104 PB ANP A1001 116.272 2.643 -9.323 1.00 0.00 P HETATM 2105 O1B ANP A1001 116.488 4.129 -9.261 1.00 0.00 O HETATM 2106 O2B ANP A1001 116.824 2.045 -10.585 1.00 0.00 O HETATM 2107 N3B ANP A1001 117.041 1.971 -8.070 1.00 0.00 N HETATM 2108 PA ANP A1001 113.602 3.294 -8.614 1.00 0.00 P HETATM 2109 O1A ANP A1001 113.998 4.650 -9.066 1.00 0.00 O HETATM 2110 O2A ANP A1001 112.275 2.818 -9.074 1.00 0.00 O HETATM 2111 O3A ANP A1001 114.736 2.230 -9.061 1.00 0.00 O HETATM 2112 O5' ANP A1001 113.661 3.232 -6.999 1.00 0.00 O HETATM 2113 C5' ANP A1001 113.077 2.152 -6.233 1.00 0.00 C HETATM 2114 C4' ANP A1001 112.329 2.714 -5.032 1.00 0.00 C HETATM 2115 O4' ANP A1001 110.907 2.634 -5.314 1.00 0.00 O HETATM 2116 C3' ANP A1001 112.622 1.711 -3.935 1.00 0.00 C HETATM 2117 O3' ANP A1001 113.808 2.035 -3.221 1.00 0.00 O HETATM 2118 C2' ANP A1001 111.406 1.847 -3.059 1.00 0.00 C HETATM 2119 O2' ANP A1001 111.577 2.863 -2.079 1.00 0.00 O HETATM 2120 C1' ANP A1001 110.307 2.224 -4.050 1.00 0.00 C HETATM 2121 N9 ANP A1001 109.446 1.031 -4.341 1.00 0.00 N HETATM 2122 C8 ANP A1001 109.879 -0.234 -4.368 1.00 0.00 C HETATM 2123 N7 ANP A1001 108.871 -1.067 -4.643 1.00 0.00 N HETATM 2124 C5 ANP A1001 107.777 -0.337 -4.801 1.00 0.00 C HETATM 2125 C6 ANP A1001 106.408 -0.601 -5.086 1.00 0.00 C HETATM 2126 N6 ANP A1001 105.982 -1.849 -5.252 1.00 0.00 N HETATM 2127 N1 ANP A1001 105.514 0.441 -5.180 1.00 0.00 N HETATM 2128 C2 ANP A1001 105.874 1.749 -5.003 1.00 0.00 C HETATM 2129 N3 ANP A1001 107.185 2.021 -4.730 1.00 0.00 N HETATM 2130 C4 ANP A1001 108.140 1.020 -4.614 1.00 0.00 C HETATM 0 HO3' ANP A1001 114.589 1.740 -3.734 1.00 0.00 H new HETATM 0 HO2' ANP A1001 112.520 3.128 -2.043 1.00 0.00 H new HETATM 0 HNB1 ANP A1001 116.679 2.024 -7.118 1.00 0.00 H new HETATM 0 HN62 ANP A1001 104.999 -2.029 -5.456 1.00 0.00 H new HETATM 0 HN61 ANP A1001 106.638 -2.626 -5.175 1.00 0.00 H new HETATM 0 H5'2 ANP A1001 112.396 1.577 -6.860 1.00 0.00 H new HETATM 0 H5'1 ANP A1001 113.857 1.468 -5.899 1.00 0.00 H new HETATM 0 H8 ANP A1001 110.909 -0.542 -4.191 1.00 0.00 H new HETATM 0 H4' ANP A1001 112.607 3.739 -4.788 1.00 0.00 H new HETATM 0 H3' ANP A1001 112.794 0.701 -4.306 1.00 0.00 H new HETATM 0 H2' ANP A1001 111.189 0.940 -2.495 1.00 0.00 H new HETATM 0 H2 ANP A1001 105.138 2.549 -5.077 1.00 0.00 H new HETATM 0 H1' ANP A1001 109.717 3.030 -3.614 1.00 0.00 H new