USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=22 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= -2.51 K(o=-3,f=-0.43) USER MOD Set 1.2: A 408 ASN : amide:sc= -0.537 K(o=-3,f=-0.43) USER MOD Set 2.1: A 397 SER OG : rot -110:sc= -6.02! USER MOD Set 2.2: A1001 ANP O2' : rot 77:sc= -3.94! USER MOD Set 3.1: A 378 THR OG1 : rot 180:sc= 0.0686 USER MOD Set 3.2: A 381 SER OG : rot -78:sc= 0.0721 USER MOD Single : A 316 ASN : amide:sc= -1.61! C(o=-1.6!,f=-1.5!) USER MOD Single : A 318 GLN : amide:sc= -2.74! C(o=-2.7!,f=-2.8!) USER MOD Single : A 320 SER OG : rot -170:sc= 0 USER MOD Single : A 326 GLN : amide:sc= 0.332 X(o=0.33,f=0) USER MOD Single : A 331 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 332 THR OG1 : rot 166:sc= -3.81! USER MOD Single : A 338 GLN : amide:sc= -14.6! C(o=-15!,f=-30!) USER MOD Single : A 341 SER OG : rot -21:sc= -3.84! USER MOD Single : A 346 THR OG1 : rot -173:sc= -0.41! USER MOD Single : A 351 SER OG : rot -177:sc= -0.709 USER MOD Single : A 357 LYS NZ :NH3+ 177:sc= -0.044 (180deg=-0.0603) USER MOD Single : A 358 GLN : amide:sc= -0.205 K(o=-0.21,f=-2.5!) USER MOD Single : A 361 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.023) USER MOD Single : A 368 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 369 SER OG : rot -59:sc= -2.9! USER MOD Single : A 371 HIS : no HD1:sc= -0.0474 X(o=-0.047,f=-0.047) USER MOD Single : A 373 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 GLN : amide:sc= -0.856 K(o=-0.86,f=0) USER MOD Single : A 383 MET CE :methyl -114:sc= -3.95! (180deg=-11.8!) USER MOD Single : A 384 SER OG : rot -137:sc= 0.724 USER MOD Single : A 387 ASN : amide:sc= -6.94! C(o=-6.9!,f=-4.8!) USER MOD Single : A 390 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.14) USER MOD Single : A 392 MET CE :methyl -139:sc= -1.36 (180deg=-5.3!) USER MOD Single : A 395 LYS NZ :NH3+ -178:sc= -11.7! (180deg=-12.1!) USER MOD Single : A 411 HIS : no HD1:sc= -0.512 K(o=-0.51,f=-1.4) USER MOD Single : A 414 THR OG1 : rot 180:sc= 0 USER MOD Single : A 418 GLN : amide:sc= -2.31! C(o=-2.3!,f=-2.9!) USER MOD Single : A 419 LYS NZ :NH3+ 164:sc= -2.77! (180deg=-3.3!) USER MOD Single : A 422 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 426 GLN : amide:sc=-0.00312 K(o=-0.0031,f=-1.6!) USER MOD Single : A 429 THR OG1 : rot -160:sc= 0 USER MOD Single : A 437 SER OG : rot 180:sc= 0 USER MOD Single : A 446 LYS NZ :NH3+ -161:sc= -0.285 (180deg=-1.9!) USER MOD Single : A 450 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1001 ANP O3' : rot 88:sc= 0.22 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 316 119.061 -6.927 -2.826 1.00 4.45 N ATOM 2 CA ASN A 316 117.709 -6.413 -3.195 1.00 3.89 C ATOM 3 C ASN A 316 116.949 -5.969 -1.944 1.00 2.72 C ATOM 4 O ASN A 316 117.390 -6.178 -0.836 1.00 2.74 O ATOM 5 CB ASN A 316 116.996 -7.586 -3.873 1.00 4.56 C ATOM 6 CG ASN A 316 115.523 -7.235 -4.084 1.00 5.35 C ATOM 7 OD1 ASN A 316 114.659 -7.766 -3.416 1.00 5.50 O ATOM 8 ND2 ASN A 316 115.199 -6.356 -4.990 1.00 6.08 N ATOM 0 HA ASN A 316 117.769 -5.546 -3.853 1.00 3.89 H new ATOM 0 HB2 ASN A 316 117.468 -7.808 -4.830 1.00 4.56 H new ATOM 0 HB3 ASN A 316 117.083 -8.482 -3.259 1.00 4.56 H new ATOM 0 HD21 ASN A 316 114.219 -6.114 -5.138 1.00 6.08 H new ATOM 0 HD22 ASN A 316 115.925 -5.910 -5.551 1.00 6.08 H new ATOM 15 N ARG A 317 115.825 -5.330 -2.109 1.00 2.20 N ATOM 16 CA ARG A 317 115.071 -4.847 -0.916 1.00 1.30 C ATOM 17 C ARG A 317 113.660 -5.438 -0.898 1.00 1.48 C ATOM 18 O ARG A 317 113.016 -5.574 -1.920 1.00 1.26 O ATOM 19 CB ARG A 317 115.017 -3.328 -1.068 1.00 1.52 C ATOM 20 CG ARG A 317 116.433 -2.753 -0.970 1.00 2.49 C ATOM 21 CD ARG A 317 116.367 -1.225 -1.001 1.00 3.27 C ATOM 22 NE ARG A 317 115.670 -0.897 -2.277 1.00 4.34 N ATOM 23 CZ ARG A 317 116.287 -1.041 -3.420 1.00 5.21 C ATOM 24 NH1 ARG A 317 117.520 -1.471 -3.453 1.00 5.83 N ATOM 25 NH2 ARG A 317 115.669 -0.751 -4.532 1.00 5.72 N ATOM 0 H ARG A 317 115.397 -5.122 -3.011 1.00 2.20 H new ATOM 0 HA ARG A 317 115.547 -5.146 0.018 1.00 1.30 H new ATOM 0 HB2 ARG A 317 114.572 -3.064 -2.027 1.00 1.52 H new ATOM 0 HB3 ARG A 317 114.384 -2.897 -0.293 1.00 1.52 H new ATOM 0 HG2 ARG A 317 116.910 -3.088 -0.049 1.00 2.49 H new ATOM 0 HG3 ARG A 317 117.043 -3.118 -1.796 1.00 2.49 H new ATOM 0 HD2 ARG A 317 115.821 -0.836 -0.141 1.00 3.27 H new ATOM 0 HD3 ARG A 317 117.364 -0.786 -0.971 1.00 3.27 H new ATOM 0 HE ARG A 317 114.708 -0.559 -2.258 1.00 4.34 H new ATOM 0 HH11 ARG A 317 118.005 -1.696 -2.584 1.00 5.83 H new ATOM 0 HH12 ARG A 317 117.998 -1.582 -4.347 1.00 5.83 H new ATOM 0 HH21 ARG A 317 114.707 -0.413 -4.508 1.00 5.72 H new ATOM 0 HH22 ARG A 317 116.148 -0.862 -5.426 1.00 5.72 H new ATOM 39 N GLN A 318 113.186 -5.810 0.259 1.00 2.19 N ATOM 40 CA GLN A 318 111.826 -6.422 0.357 1.00 2.64 C ATOM 41 C GLN A 318 111.077 -5.808 1.539 1.00 2.16 C ATOM 42 O GLN A 318 111.667 -5.509 2.554 1.00 2.69 O ATOM 43 CB GLN A 318 112.056 -7.918 0.616 1.00 3.37 C ATOM 44 CG GLN A 318 113.296 -8.406 -0.137 1.00 4.16 C ATOM 45 CD GLN A 318 113.448 -9.916 0.050 1.00 4.79 C ATOM 46 OE1 GLN A 318 112.870 -10.490 0.951 1.00 4.85 O ATOM 47 NE2 GLN A 318 114.207 -10.590 -0.771 1.00 5.58 N ATOM 0 H GLN A 318 113.682 -5.717 1.145 1.00 2.19 H new ATOM 0 HA GLN A 318 111.239 -6.254 -0.546 1.00 2.64 H new ATOM 0 HB2 GLN A 318 112.179 -8.094 1.685 1.00 3.37 H new ATOM 0 HB3 GLN A 318 111.182 -8.487 0.298 1.00 3.37 H new ATOM 0 HG2 GLN A 318 113.208 -8.168 -1.197 1.00 4.16 H new ATOM 0 HG3 GLN A 318 114.184 -7.892 0.232 1.00 4.16 H new ATOM 0 HE21 GLN A 318 114.693 -10.109 -1.528 1.00 5.58 H new ATOM 0 HE22 GLN A 318 114.314 -11.598 -0.656 1.00 5.58 H new ATOM 56 N ALA A 319 109.779 -5.734 1.474 1.00 1.32 N ATOM 57 CA ALA A 319 109.020 -5.269 2.670 1.00 1.05 C ATOM 58 C ALA A 319 109.121 -6.309 3.780 1.00 0.89 C ATOM 59 O ALA A 319 108.706 -7.440 3.622 1.00 1.18 O ATOM 60 CB ALA A 319 107.574 -5.144 2.209 1.00 1.42 C ATOM 0 H ALA A 319 109.215 -5.971 0.658 1.00 1.32 H new ATOM 0 HA ALA A 319 109.406 -4.327 3.059 1.00 1.05 H new ATOM 0 HB1 ALA A 319 106.955 -4.805 3.040 1.00 1.42 H new ATOM 0 HB2 ALA A 319 107.513 -4.423 1.394 1.00 1.42 H new ATOM 0 HB3 ALA A 319 107.217 -6.114 1.863 1.00 1.42 H new ATOM 66 N SER A 320 109.605 -5.923 4.923 1.00 0.59 N ATOM 67 CA SER A 320 109.649 -6.883 6.059 1.00 0.64 C ATOM 68 C SER A 320 108.638 -6.487 7.139 1.00 0.49 C ATOM 69 O SER A 320 107.988 -7.326 7.729 1.00 0.50 O ATOM 70 CB SER A 320 111.077 -6.807 6.595 1.00 0.78 C ATOM 71 OG SER A 320 111.885 -7.761 5.919 1.00 1.60 O ATOM 0 H SER A 320 109.970 -4.991 5.121 1.00 0.59 H new ATOM 0 HA SER A 320 109.389 -7.895 5.748 1.00 0.64 H new ATOM 0 HB2 SER A 320 111.479 -5.804 6.449 1.00 0.78 H new ATOM 0 HB3 SER A 320 111.086 -7.001 7.668 1.00 0.78 H new ATOM 0 HG SER A 320 112.756 -7.826 6.364 1.00 1.60 H new ATOM 77 N GLU A 321 108.503 -5.216 7.409 1.00 0.45 N ATOM 78 CA GLU A 321 107.535 -4.782 8.460 1.00 0.44 C ATOM 79 C GLU A 321 106.741 -3.561 7.996 1.00 0.37 C ATOM 80 O GLU A 321 107.279 -2.651 7.407 1.00 0.35 O ATOM 81 CB GLU A 321 108.393 -4.425 9.668 1.00 0.59 C ATOM 82 CG GLU A 321 107.492 -3.952 10.809 1.00 0.73 C ATOM 83 CD GLU A 321 108.355 -3.510 11.992 1.00 1.02 C ATOM 84 OE1 GLU A 321 109.568 -3.557 11.866 1.00 1.30 O ATOM 85 OE2 GLU A 321 107.789 -3.133 13.005 1.00 1.82 O ATOM 0 H GLU A 321 109.017 -4.463 6.951 1.00 0.45 H new ATOM 0 HA GLU A 321 106.808 -5.562 8.686 1.00 0.44 H new ATOM 0 HB2 GLU A 321 108.974 -5.291 9.984 1.00 0.59 H new ATOM 0 HB3 GLU A 321 109.105 -3.643 9.404 1.00 0.59 H new ATOM 0 HG2 GLU A 321 106.866 -3.125 10.473 1.00 0.73 H new ATOM 0 HG3 GLU A 321 106.822 -4.756 11.114 1.00 0.73 H new ATOM 92 N PHE A 322 105.502 -3.472 8.385 1.00 0.40 N ATOM 93 CA PHE A 322 104.720 -2.231 8.106 1.00 0.37 C ATOM 94 C PHE A 322 104.299 -1.566 9.416 1.00 0.38 C ATOM 95 O PHE A 322 103.985 -2.226 10.387 1.00 0.42 O ATOM 96 CB PHE A 322 103.496 -2.691 7.311 1.00 0.41 C ATOM 97 CG PHE A 322 102.869 -3.889 7.981 1.00 0.52 C ATOM 98 CD1 PHE A 322 102.174 -3.737 9.190 1.00 0.94 C ATOM 99 CD2 PHE A 322 102.978 -5.155 7.390 1.00 0.67 C ATOM 100 CE1 PHE A 322 101.590 -4.853 9.807 1.00 1.14 C ATOM 101 CE2 PHE A 322 102.394 -6.268 8.006 1.00 0.87 C ATOM 102 CZ PHE A 322 101.700 -6.119 9.215 1.00 1.00 C ATOM 0 H PHE A 322 104.994 -4.203 8.884 1.00 0.40 H new ATOM 0 HA PHE A 322 105.303 -1.495 7.552 1.00 0.37 H new ATOM 0 HB2 PHE A 322 102.770 -1.881 7.243 1.00 0.41 H new ATOM 0 HB3 PHE A 322 103.788 -2.945 6.292 1.00 0.41 H new ATOM 0 HD1 PHE A 322 102.089 -2.761 9.645 1.00 0.94 H new ATOM 0 HD2 PHE A 322 103.513 -5.272 6.459 1.00 0.67 H new ATOM 0 HE1 PHE A 322 101.056 -4.737 10.738 1.00 1.14 H new ATOM 0 HE2 PHE A 322 102.478 -7.243 7.549 1.00 0.87 H new ATOM 0 HZ PHE A 322 101.251 -6.979 9.690 1.00 1.00 H new ATOM 112 N ILE A 323 104.227 -0.264 9.430 1.00 0.37 N ATOM 113 CA ILE A 323 103.748 0.438 10.658 1.00 0.41 C ATOM 114 C ILE A 323 102.704 1.501 10.294 1.00 0.43 C ATOM 115 O ILE A 323 102.869 2.229 9.336 1.00 0.53 O ATOM 116 CB ILE A 323 104.983 1.092 11.270 1.00 0.44 C ATOM 117 CG1 ILE A 323 106.167 0.124 11.211 1.00 0.46 C ATOM 118 CG2 ILE A 323 104.685 1.439 12.729 1.00 0.48 C ATOM 119 CD1 ILE A 323 107.071 0.493 10.032 1.00 0.52 C ATOM 0 H ILE A 323 104.477 0.343 8.650 1.00 0.37 H new ATOM 0 HA ILE A 323 103.272 -0.252 11.355 1.00 0.41 H new ATOM 0 HB ILE A 323 105.233 1.995 10.713 1.00 0.44 H new ATOM 0 HG12 ILE A 323 106.731 0.166 12.143 1.00 0.46 H new ATOM 0 HG13 ILE A 323 105.808 -0.899 11.101 1.00 0.46 H new ATOM 0 HG21 ILE A 323 105.561 1.907 13.178 1.00 0.48 H new ATOM 0 HG22 ILE A 323 103.842 2.128 12.774 1.00 0.48 H new ATOM 0 HG23 ILE A 323 104.440 0.529 13.277 1.00 0.48 H new ATOM 0 HD11 ILE A 323 107.914 -0.197 9.990 1.00 0.52 H new ATOM 0 HD12 ILE A 323 106.503 0.428 9.104 1.00 0.52 H new ATOM 0 HD13 ILE A 323 107.440 1.510 10.161 1.00 0.52 H new ATOM 131 N PRO A 324 101.624 1.498 11.031 1.00 0.36 N ATOM 132 CA PRO A 324 100.488 2.407 10.731 1.00 0.40 C ATOM 133 C PRO A 324 100.896 3.875 10.842 1.00 0.64 C ATOM 134 O PRO A 324 101.769 4.237 11.605 1.00 1.44 O ATOM 135 CB PRO A 324 99.444 2.078 11.791 1.00 0.33 C ATOM 136 CG PRO A 324 99.885 0.804 12.432 1.00 0.30 C ATOM 137 CD PRO A 324 101.361 0.657 12.200 1.00 0.29 C ATOM 0 HA PRO A 324 100.124 2.267 9.713 1.00 0.40 H new ATOM 0 HB2 PRO A 324 99.371 2.879 12.527 1.00 0.33 H new ATOM 0 HB3 PRO A 324 98.457 1.966 11.343 1.00 0.33 H new ATOM 0 HG2 PRO A 324 99.666 0.819 13.500 1.00 0.30 H new ATOM 0 HG3 PRO A 324 99.346 -0.043 12.008 1.00 0.30 H new ATOM 0 HD2 PRO A 324 101.935 0.987 13.066 1.00 0.29 H new ATOM 0 HD3 PRO A 324 101.634 -0.382 12.013 1.00 0.29 H new ATOM 145 N ALA A 325 100.155 4.733 10.197 1.00 0.75 N ATOM 146 CA ALA A 325 100.361 6.195 10.380 1.00 0.98 C ATOM 147 C ALA A 325 99.687 6.655 11.670 1.00 0.81 C ATOM 148 O ALA A 325 99.347 5.859 12.525 1.00 1.11 O ATOM 149 CB ALA A 325 99.688 6.838 9.169 1.00 1.58 C ATOM 0 H ALA A 325 99.411 4.481 9.547 1.00 0.75 H new ATOM 0 HA ALA A 325 101.415 6.464 10.453 1.00 0.98 H new ATOM 0 HB1 ALA A 325 99.794 7.921 9.226 1.00 1.58 H new ATOM 0 HB2 ALA A 325 100.159 6.475 8.256 1.00 1.58 H new ATOM 0 HB3 ALA A 325 98.630 6.577 9.160 1.00 1.58 H new ATOM 155 N GLN A 326 99.512 7.933 11.829 1.00 0.91 N ATOM 156 CA GLN A 326 98.884 8.449 13.077 1.00 1.48 C ATOM 157 C GLN A 326 97.451 7.920 13.213 1.00 1.32 C ATOM 158 O GLN A 326 96.538 8.409 12.577 1.00 1.83 O ATOM 159 CB GLN A 326 98.877 9.970 12.908 1.00 2.25 C ATOM 160 CG GLN A 326 98.398 10.626 14.205 1.00 3.14 C ATOM 161 CD GLN A 326 98.272 12.136 13.997 1.00 3.55 C ATOM 162 OE1 GLN A 326 97.499 12.585 13.173 1.00 4.00 O ATOM 163 NE2 GLN A 326 99.002 12.945 14.715 1.00 3.92 N ATOM 0 H GLN A 326 99.776 8.646 11.149 1.00 0.91 H new ATOM 0 HA GLN A 326 99.422 8.134 13.971 1.00 1.48 H new ATOM 0 HB2 GLN A 326 99.877 10.323 12.657 1.00 2.25 H new ATOM 0 HB3 GLN A 326 98.223 10.252 12.083 1.00 2.25 H new ATOM 0 HG2 GLN A 326 97.437 10.208 14.503 1.00 3.14 H new ATOM 0 HG3 GLN A 326 99.100 10.417 15.012 1.00 3.14 H new ATOM 0 HE21 GLN A 326 99.651 12.569 15.406 1.00 3.92 H new ATOM 0 HE22 GLN A 326 98.924 13.954 14.585 1.00 3.92 H new ATOM 172 N GLY A 327 97.230 6.994 14.110 1.00 1.28 N ATOM 173 CA GLY A 327 95.839 6.520 14.365 1.00 1.48 C ATOM 174 C GLY A 327 95.504 5.337 13.451 1.00 1.24 C ATOM 175 O GLY A 327 94.352 4.993 13.268 1.00 1.52 O ATOM 0 H GLY A 327 97.952 6.547 14.675 1.00 1.28 H new ATOM 0 HA2 GLY A 327 95.734 6.223 15.409 1.00 1.48 H new ATOM 0 HA3 GLY A 327 95.133 7.333 14.193 1.00 1.48 H new ATOM 179 N VAL A 328 96.488 4.739 12.836 1.00 0.93 N ATOM 180 CA VAL A 328 96.207 3.618 11.893 1.00 1.03 C ATOM 181 C VAL A 328 96.533 2.270 12.548 1.00 1.06 C ATOM 182 O VAL A 328 97.426 2.170 13.367 1.00 1.71 O ATOM 183 CB VAL A 328 97.125 3.871 10.698 1.00 1.43 C ATOM 184 CG1 VAL A 328 96.921 2.771 9.656 1.00 1.73 C ATOM 185 CG2 VAL A 328 96.788 5.229 10.077 1.00 1.57 C ATOM 0 H VAL A 328 97.474 4.978 12.945 1.00 0.93 H new ATOM 0 HA VAL A 328 95.157 3.578 11.603 1.00 1.03 H new ATOM 0 HB VAL A 328 98.163 3.869 11.030 1.00 1.43 H new ATOM 0 HG11 VAL A 328 97.576 2.951 8.803 1.00 1.73 H new ATOM 0 HG12 VAL A 328 97.158 1.803 10.097 1.00 1.73 H new ATOM 0 HG13 VAL A 328 95.883 2.773 9.323 1.00 1.73 H new ATOM 0 HG21 VAL A 328 97.442 5.411 9.224 1.00 1.57 H new ATOM 0 HG22 VAL A 328 95.750 5.230 9.745 1.00 1.57 H new ATOM 0 HG23 VAL A 328 96.932 6.014 10.819 1.00 1.57 H new ATOM 195 N ASP A 329 95.879 1.219 12.131 1.00 1.16 N ATOM 196 CA ASP A 329 96.230 -0.135 12.658 1.00 1.20 C ATOM 197 C ASP A 329 97.192 -0.844 11.695 1.00 1.16 C ATOM 198 O ASP A 329 97.296 -0.487 10.538 1.00 1.39 O ATOM 199 CB ASP A 329 94.902 -0.891 12.755 1.00 1.44 C ATOM 200 CG ASP A 329 94.181 -0.857 11.406 1.00 1.37 C ATOM 201 OD1 ASP A 329 94.600 -0.099 10.550 1.00 2.02 O ATOM 202 OD2 ASP A 329 93.220 -1.593 11.255 1.00 1.69 O ATOM 0 H ASP A 329 95.119 1.237 11.451 1.00 1.16 H new ATOM 0 HA ASP A 329 96.731 -0.082 13.625 1.00 1.20 H new ATOM 0 HB2 ASP A 329 95.083 -1.923 13.054 1.00 1.44 H new ATOM 0 HB3 ASP A 329 94.274 -0.442 13.524 1.00 1.44 H new ATOM 207 N GLU A 330 98.024 -1.711 12.209 1.00 1.13 N ATOM 208 CA GLU A 330 99.126 -2.280 11.373 1.00 1.11 C ATOM 209 C GLU A 330 98.574 -3.236 10.310 1.00 0.97 C ATOM 210 O GLU A 330 99.071 -3.303 9.204 1.00 0.91 O ATOM 211 CB GLU A 330 100.011 -3.038 12.363 1.00 1.28 C ATOM 212 CG GLU A 330 99.317 -4.334 12.786 1.00 1.68 C ATOM 213 CD GLU A 330 100.146 -5.028 13.869 1.00 2.07 C ATOM 214 OE1 GLU A 330 101.227 -4.545 14.160 1.00 2.49 O ATOM 215 OE2 GLU A 330 99.684 -6.031 14.389 1.00 2.70 O ATOM 0 H GLU A 330 97.990 -2.050 13.170 1.00 1.13 H new ATOM 0 HA GLU A 330 99.670 -1.504 10.835 1.00 1.11 H new ATOM 0 HB2 GLU A 330 100.975 -3.262 11.906 1.00 1.28 H new ATOM 0 HB3 GLU A 330 100.209 -2.418 13.237 1.00 1.28 H new ATOM 0 HG2 GLU A 330 98.317 -4.117 13.162 1.00 1.68 H new ATOM 0 HG3 GLU A 330 99.199 -4.993 11.926 1.00 1.68 H new ATOM 222 N LYS A 331 97.551 -3.977 10.632 1.00 0.98 N ATOM 223 CA LYS A 331 96.981 -4.927 9.634 1.00 0.92 C ATOM 224 C LYS A 331 96.470 -4.164 8.410 1.00 0.81 C ATOM 225 O LYS A 331 96.681 -4.565 7.283 1.00 0.80 O ATOM 226 CB LYS A 331 95.827 -5.619 10.358 1.00 1.02 C ATOM 227 CG LYS A 331 96.378 -6.408 11.546 1.00 1.49 C ATOM 228 CD LYS A 331 95.240 -7.170 12.227 1.00 2.27 C ATOM 229 CE LYS A 331 94.762 -8.300 11.311 1.00 2.60 C ATOM 230 NZ LYS A 331 93.286 -8.122 11.219 1.00 3.03 N ATOM 0 H LYS A 331 97.086 -3.967 11.540 1.00 0.98 H new ATOM 0 HA LYS A 331 97.721 -5.642 9.275 1.00 0.92 H new ATOM 0 HB2 LYS A 331 95.103 -4.880 10.701 1.00 1.02 H new ATOM 0 HB3 LYS A 331 95.302 -6.287 9.675 1.00 1.02 H new ATOM 0 HG2 LYS A 331 97.145 -7.105 11.208 1.00 1.49 H new ATOM 0 HG3 LYS A 331 96.853 -5.731 12.257 1.00 1.49 H new ATOM 0 HD2 LYS A 331 95.580 -7.578 13.179 1.00 2.27 H new ATOM 0 HD3 LYS A 331 94.415 -6.492 12.447 1.00 2.27 H new ATOM 0 HE2 LYS A 331 95.229 -8.236 10.328 1.00 2.60 H new ATOM 0 HE3 LYS A 331 95.017 -9.277 11.723 1.00 2.60 H new ATOM 0 HZ1 LYS A 331 92.885 -8.861 10.607 1.00 3.03 H new ATOM 0 HZ2 LYS A 331 92.868 -8.194 12.168 1.00 3.03 H new ATOM 0 HZ3 LYS A 331 93.074 -7.186 10.818 1.00 3.03 H new ATOM 244 N THR A 332 95.823 -3.054 8.620 1.00 0.78 N ATOM 245 CA THR A 332 95.324 -2.259 7.463 1.00 0.74 C ATOM 246 C THR A 332 96.490 -1.811 6.584 1.00 0.65 C ATOM 247 O THR A 332 96.433 -1.887 5.375 1.00 0.66 O ATOM 248 CB THR A 332 94.634 -1.046 8.081 1.00 0.77 C ATOM 249 OG1 THR A 332 93.603 -1.482 8.956 1.00 0.90 O ATOM 250 CG2 THR A 332 94.037 -0.178 6.973 1.00 0.82 C ATOM 0 H THR A 332 95.618 -2.662 9.539 1.00 0.78 H new ATOM 0 HA THR A 332 94.650 -2.837 6.831 1.00 0.74 H new ATOM 0 HB THR A 332 95.361 -0.461 8.644 1.00 0.77 H new ATOM 0 HG1 THR A 332 93.313 -0.734 9.519 1.00 0.90 H new ATOM 0 HG21 THR A 332 93.544 0.688 7.415 1.00 0.82 H new ATOM 0 HG22 THR A 332 94.831 0.157 6.306 1.00 0.82 H new ATOM 0 HG23 THR A 332 93.309 -0.760 6.407 1.00 0.82 H new ATOM 258 N LEU A 333 97.536 -1.307 7.178 1.00 0.59 N ATOM 259 CA LEU A 333 98.679 -0.815 6.359 1.00 0.57 C ATOM 260 C LEU A 333 99.252 -1.938 5.493 1.00 0.58 C ATOM 261 O LEU A 333 99.508 -1.761 4.319 1.00 0.54 O ATOM 262 CB LEU A 333 99.724 -0.338 7.364 1.00 0.68 C ATOM 263 CG LEU A 333 101.052 -0.137 6.636 1.00 0.64 C ATOM 264 CD1 LEU A 333 100.868 0.875 5.505 1.00 0.93 C ATOM 265 CD2 LEU A 333 102.102 0.384 7.615 1.00 0.87 C ATOM 0 H LEU A 333 97.649 -1.215 8.188 1.00 0.59 H new ATOM 0 HA LEU A 333 98.370 -0.020 5.680 1.00 0.57 H new ATOM 0 HB2 LEU A 333 99.403 0.595 7.828 1.00 0.68 H new ATOM 0 HB3 LEU A 333 99.839 -1.069 8.164 1.00 0.68 H new ATOM 0 HG LEU A 333 101.382 -1.090 6.223 1.00 0.64 H new ATOM 0 HD11 LEU A 333 101.816 1.018 4.986 1.00 0.93 H new ATOM 0 HD12 LEU A 333 100.122 0.504 4.802 1.00 0.93 H new ATOM 0 HD13 LEU A 333 100.534 1.827 5.919 1.00 0.93 H new ATOM 0 HD21 LEU A 333 103.048 0.526 7.092 1.00 0.87 H new ATOM 0 HD22 LEU A 333 101.771 1.335 8.031 1.00 0.87 H new ATOM 0 HD23 LEU A 333 102.238 -0.337 8.421 1.00 0.87 H new ATOM 277 N ALA A 334 99.435 -3.097 6.052 1.00 0.66 N ATOM 278 CA ALA A 334 99.970 -4.229 5.249 1.00 0.73 C ATOM 279 C ALA A 334 99.032 -4.522 4.078 1.00 0.68 C ATOM 280 O ALA A 334 99.450 -4.829 2.983 1.00 0.66 O ATOM 281 CB ALA A 334 100.006 -5.409 6.219 1.00 0.87 C ATOM 0 H ALA A 334 99.238 -3.311 7.030 1.00 0.66 H new ATOM 0 HA ALA A 334 100.952 -4.019 4.826 1.00 0.73 H new ATOM 0 HB1 ALA A 334 100.390 -6.290 5.706 1.00 0.87 H new ATOM 0 HB2 ALA A 334 100.655 -5.168 7.061 1.00 0.87 H new ATOM 0 HB3 ALA A 334 98.999 -5.612 6.583 1.00 0.87 H new ATOM 287 N ASP A 335 97.761 -4.466 4.316 1.00 0.67 N ATOM 288 CA ASP A 335 96.789 -4.795 3.236 1.00 0.65 C ATOM 289 C ASP A 335 96.852 -3.771 2.096 1.00 0.62 C ATOM 290 O ASP A 335 96.854 -4.123 0.934 1.00 0.69 O ATOM 291 CB ASP A 335 95.431 -4.732 3.913 1.00 0.67 C ATOM 292 CG ASP A 335 94.353 -5.243 2.955 1.00 1.19 C ATOM 293 OD1 ASP A 335 94.711 -5.705 1.884 1.00 1.96 O ATOM 294 OD2 ASP A 335 93.188 -5.164 3.309 1.00 1.61 O ATOM 0 H ASP A 335 97.346 -4.207 5.211 1.00 0.67 H new ATOM 0 HA ASP A 335 96.999 -5.767 2.789 1.00 0.65 H new ATOM 0 HB2 ASP A 335 95.439 -5.334 4.822 1.00 0.67 H new ATOM 0 HB3 ASP A 335 95.210 -3.707 4.211 1.00 0.67 H new ATOM 299 N ALA A 336 96.885 -2.505 2.417 1.00 0.60 N ATOM 300 CA ALA A 336 96.919 -1.467 1.347 1.00 0.62 C ATOM 301 C ALA A 336 98.218 -1.569 0.554 1.00 0.51 C ATOM 302 O ALA A 336 98.233 -1.410 -0.647 1.00 0.55 O ATOM 303 CB ALA A 336 96.831 -0.126 2.076 1.00 0.76 C ATOM 0 H ALA A 336 96.890 -2.146 3.372 1.00 0.60 H new ATOM 0 HA ALA A 336 96.104 -1.588 0.634 1.00 0.62 H new ATOM 0 HB1 ALA A 336 96.851 0.686 1.349 1.00 0.76 H new ATOM 0 HB2 ALA A 336 95.902 -0.081 2.645 1.00 0.76 H new ATOM 0 HB3 ALA A 336 97.677 -0.025 2.755 1.00 0.76 H new ATOM 309 N ALA A 337 99.303 -1.873 1.204 1.00 0.46 N ATOM 310 CA ALA A 337 100.584 -2.022 0.455 1.00 0.50 C ATOM 311 C ALA A 337 100.487 -3.199 -0.520 1.00 0.62 C ATOM 312 O ALA A 337 101.076 -3.190 -1.582 1.00 0.72 O ATOM 313 CB ALA A 337 101.648 -2.294 1.520 1.00 0.50 C ATOM 0 H ALA A 337 99.362 -2.024 2.211 1.00 0.46 H new ATOM 0 HA ALA A 337 100.821 -1.136 -0.133 1.00 0.50 H new ATOM 0 HB1 ALA A 337 102.620 -2.415 1.041 1.00 0.50 H new ATOM 0 HB2 ALA A 337 101.688 -1.456 2.216 1.00 0.50 H new ATOM 0 HB3 ALA A 337 101.395 -3.205 2.063 1.00 0.50 H new ATOM 319 N GLN A 338 99.756 -4.217 -0.157 1.00 0.71 N ATOM 320 CA GLN A 338 99.629 -5.406 -1.052 1.00 0.91 C ATOM 321 C GLN A 338 98.834 -5.067 -2.315 1.00 0.94 C ATOM 322 O GLN A 338 99.254 -5.359 -3.415 1.00 1.06 O ATOM 323 CB GLN A 338 98.885 -6.449 -0.218 1.00 1.03 C ATOM 324 CG GLN A 338 99.791 -7.079 0.864 1.00 1.03 C ATOM 325 CD GLN A 338 101.171 -6.395 0.964 1.00 0.94 C ATOM 326 OE1 GLN A 338 101.974 -6.484 0.060 1.00 1.72 O ATOM 327 NE2 GLN A 338 101.481 -5.724 2.038 1.00 0.69 N ATOM 0 H GLN A 338 99.240 -4.278 0.721 1.00 0.71 H new ATOM 0 HA GLN A 338 100.603 -5.760 -1.390 1.00 0.91 H new ATOM 0 HB2 GLN A 338 98.022 -5.984 0.258 1.00 1.03 H new ATOM 0 HB3 GLN A 338 98.504 -7.233 -0.873 1.00 1.03 H new ATOM 0 HG2 GLN A 338 99.290 -7.019 1.830 1.00 1.03 H new ATOM 0 HG3 GLN A 338 99.931 -8.137 0.643 1.00 1.03 H new ATOM 0 HE21 GLN A 338 100.810 -5.646 2.802 1.00 0.69 H new ATOM 0 HE22 GLN A 338 102.395 -5.277 2.114 1.00 0.69 H new ATOM 336 N LEU A 339 97.656 -4.528 -2.175 1.00 0.86 N ATOM 337 CA LEU A 339 96.831 -4.272 -3.394 1.00 0.90 C ATOM 338 C LEU A 339 97.431 -3.124 -4.213 1.00 0.84 C ATOM 339 O LEU A 339 97.458 -3.169 -5.428 1.00 1.00 O ATOM 340 CB LEU A 339 95.419 -3.925 -2.903 1.00 0.80 C ATOM 341 CG LEU A 339 95.473 -2.958 -1.722 1.00 1.01 C ATOM 342 CD1 LEU A 339 94.724 -1.677 -2.086 1.00 1.34 C ATOM 343 CD2 LEU A 339 94.797 -3.614 -0.516 1.00 1.58 C ATOM 0 H LEU A 339 97.232 -4.257 -1.288 1.00 0.86 H new ATOM 0 HA LEU A 339 96.805 -5.145 -4.047 1.00 0.90 H new ATOM 0 HB2 LEU A 339 94.846 -3.480 -3.717 1.00 0.80 H new ATOM 0 HB3 LEU A 339 94.898 -4.836 -2.608 1.00 0.80 H new ATOM 0 HG LEU A 339 96.509 -2.719 -1.483 1.00 1.01 H new ATOM 0 HD11 LEU A 339 94.760 -0.983 -1.246 1.00 1.34 H new ATOM 0 HD12 LEU A 339 95.192 -1.217 -2.957 1.00 1.34 H new ATOM 0 HD13 LEU A 339 93.685 -1.915 -2.316 1.00 1.34 H new ATOM 0 HD21 LEU A 339 94.829 -2.933 0.334 1.00 1.58 H new ATOM 0 HD22 LEU A 339 93.759 -3.841 -0.760 1.00 1.58 H new ATOM 0 HD23 LEU A 339 95.320 -4.536 -0.262 1.00 1.58 H new ATOM 355 N ALA A 340 97.966 -2.129 -3.564 1.00 0.74 N ATOM 356 CA ALA A 340 98.623 -1.019 -4.311 1.00 0.93 C ATOM 357 C ALA A 340 99.891 -1.527 -5.003 1.00 1.36 C ATOM 358 O ALA A 340 100.449 -0.869 -5.859 1.00 2.24 O ATOM 359 CB ALA A 340 98.978 0.017 -3.245 1.00 0.82 C ATOM 0 H ALA A 340 97.977 -2.035 -2.548 1.00 0.74 H new ATOM 0 HA ALA A 340 97.979 -0.605 -5.087 1.00 0.93 H new ATOM 0 HB1 ALA A 340 99.468 0.870 -3.715 1.00 0.82 H new ATOM 0 HB2 ALA A 340 98.069 0.351 -2.745 1.00 0.82 H new ATOM 0 HB3 ALA A 340 99.651 -0.430 -2.513 1.00 0.82 H new ATOM 365 N SER A 341 100.333 -2.704 -4.657 1.00 1.07 N ATOM 366 CA SER A 341 101.550 -3.264 -5.318 1.00 1.44 C ATOM 367 C SER A 341 101.147 -4.220 -6.445 1.00 1.51 C ATOM 368 O SER A 341 101.919 -4.496 -7.343 1.00 2.65 O ATOM 369 CB SER A 341 102.307 -4.005 -4.214 1.00 2.84 C ATOM 370 OG SER A 341 101.531 -5.106 -3.769 1.00 3.56 O ATOM 0 H SER A 341 99.908 -3.302 -3.948 1.00 1.07 H new ATOM 0 HA SER A 341 102.167 -2.488 -5.771 1.00 1.44 H new ATOM 0 HB2 SER A 341 103.270 -4.352 -4.588 1.00 2.84 H new ATOM 0 HB3 SER A 341 102.512 -3.331 -3.383 1.00 2.84 H new ATOM 0 HG SER A 341 100.591 -4.960 -4.004 1.00 3.56 H new ATOM 376 N LEU A 342 99.929 -4.686 -6.440 1.00 1.19 N ATOM 377 CA LEU A 342 99.470 -5.569 -7.549 1.00 2.40 C ATOM 378 C LEU A 342 99.614 -4.844 -8.887 1.00 2.59 C ATOM 379 O LEU A 342 99.750 -5.454 -9.927 1.00 3.62 O ATOM 380 CB LEU A 342 97.994 -5.843 -7.262 1.00 3.39 C ATOM 381 CG LEU A 342 97.848 -6.539 -5.910 1.00 3.93 C ATOM 382 CD1 LEU A 342 96.395 -6.976 -5.723 1.00 4.36 C ATOM 383 CD2 LEU A 342 98.760 -7.768 -5.868 1.00 3.74 C ATOM 0 H LEU A 342 99.234 -4.495 -5.719 1.00 1.19 H new ATOM 0 HA LEU A 342 100.053 -6.488 -7.608 1.00 2.40 H new ATOM 0 HB2 LEU A 342 97.435 -4.907 -7.261 1.00 3.39 H new ATOM 0 HB3 LEU A 342 97.571 -6.467 -8.050 1.00 3.39 H new ATOM 0 HG LEU A 342 98.129 -5.852 -5.112 1.00 3.93 H new ATOM 0 HD11 LEU A 342 96.286 -7.473 -4.759 1.00 4.36 H new ATOM 0 HD12 LEU A 342 95.745 -6.102 -5.756 1.00 4.36 H new ATOM 0 HD13 LEU A 342 96.117 -7.665 -6.520 1.00 4.36 H new ATOM 0 HD21 LEU A 342 98.656 -8.265 -4.904 1.00 3.74 H new ATOM 0 HD22 LEU A 342 98.478 -8.458 -6.664 1.00 3.74 H new ATOM 0 HD23 LEU A 342 99.796 -7.458 -6.007 1.00 3.74 H new ATOM 395 N ALA A 343 99.512 -3.542 -8.870 1.00 2.04 N ATOM 396 CA ALA A 343 99.559 -2.772 -10.144 1.00 2.90 C ATOM 397 C ALA A 343 101.000 -2.380 -10.489 1.00 2.34 C ATOM 398 O ALA A 343 101.263 -1.829 -11.540 1.00 2.96 O ATOM 399 CB ALA A 343 98.706 -1.531 -9.882 1.00 3.81 C ATOM 0 H ALA A 343 99.398 -2.979 -8.027 1.00 2.04 H new ATOM 0 HA ALA A 343 99.189 -3.353 -10.989 1.00 2.90 H new ATOM 0 HB1 ALA A 343 98.688 -0.907 -10.775 1.00 3.81 H new ATOM 0 HB2 ALA A 343 97.690 -1.834 -9.631 1.00 3.81 H new ATOM 0 HB3 ALA A 343 99.131 -0.966 -9.053 1.00 3.81 H new ATOM 405 N ASP A 344 101.943 -2.693 -9.641 1.00 1.46 N ATOM 406 CA ASP A 344 103.364 -2.372 -9.969 1.00 1.77 C ATOM 407 C ASP A 344 104.061 -3.602 -10.561 1.00 1.92 C ATOM 408 O ASP A 344 103.877 -4.712 -10.102 1.00 1.99 O ATOM 409 CB ASP A 344 104.008 -1.959 -8.639 1.00 1.69 C ATOM 410 CG ASP A 344 104.338 -3.197 -7.799 1.00 2.00 C ATOM 411 OD1 ASP A 344 105.121 -4.013 -8.260 1.00 2.84 O ATOM 412 OD2 ASP A 344 103.813 -3.302 -6.704 1.00 1.89 O ATOM 0 H ASP A 344 101.794 -3.153 -8.743 1.00 1.46 H new ATOM 0 HA ASP A 344 103.446 -1.578 -10.712 1.00 1.77 H new ATOM 0 HB2 ASP A 344 104.917 -1.388 -8.829 1.00 1.69 H new ATOM 0 HB3 ASP A 344 103.331 -1.307 -8.087 1.00 1.69 H new ATOM 417 N GLU A 345 104.854 -3.413 -11.581 1.00 2.10 N ATOM 418 CA GLU A 345 105.557 -4.573 -12.202 1.00 2.37 C ATOM 419 C GLU A 345 106.970 -4.703 -11.631 1.00 2.30 C ATOM 420 O GLU A 345 107.762 -5.506 -12.084 1.00 2.51 O ATOM 421 CB GLU A 345 105.606 -4.255 -13.697 1.00 2.66 C ATOM 422 CG GLU A 345 104.182 -4.124 -14.239 1.00 2.29 C ATOM 423 CD GLU A 345 104.230 -3.884 -15.748 1.00 2.60 C ATOM 424 OE1 GLU A 345 105.316 -3.662 -16.259 1.00 2.99 O ATOM 425 OE2 GLU A 345 103.181 -3.924 -16.370 1.00 2.87 O ATOM 0 H GLU A 345 105.045 -2.508 -12.011 1.00 2.10 H new ATOM 0 HA GLU A 345 105.049 -5.517 -12.005 1.00 2.37 H new ATOM 0 HB2 GLU A 345 106.157 -3.329 -13.865 1.00 2.66 H new ATOM 0 HB3 GLU A 345 106.138 -5.043 -14.230 1.00 2.66 H new ATOM 0 HG2 GLU A 345 103.614 -5.029 -14.022 1.00 2.29 H new ATOM 0 HG3 GLU A 345 103.668 -3.299 -13.745 1.00 2.29 H new ATOM 432 N THR A 346 107.290 -3.925 -10.636 1.00 2.06 N ATOM 433 CA THR A 346 108.649 -4.009 -10.029 1.00 2.06 C ATOM 434 C THR A 346 108.760 -5.259 -9.153 1.00 1.91 C ATOM 435 O THR A 346 107.829 -5.616 -8.460 1.00 1.73 O ATOM 436 CB THR A 346 108.782 -2.744 -9.179 1.00 2.02 C ATOM 437 OG1 THR A 346 107.773 -2.740 -8.180 1.00 1.96 O ATOM 438 CG2 THR A 346 108.628 -1.510 -10.071 1.00 2.07 C ATOM 0 H THR A 346 106.669 -3.233 -10.216 1.00 2.06 H new ATOM 0 HA THR A 346 109.434 -4.078 -10.782 1.00 2.06 H new ATOM 0 HB THR A 346 109.763 -2.725 -8.704 1.00 2.02 H new ATOM 0 HG1 THR A 346 107.788 -1.884 -7.703 1.00 1.96 H new ATOM 0 HG21 THR A 346 108.723 -0.609 -9.465 1.00 2.07 H new ATOM 0 HG22 THR A 346 109.404 -1.516 -10.837 1.00 2.07 H new ATOM 0 HG23 THR A 346 107.648 -1.525 -10.547 1.00 2.07 H new ATOM 446 N PRO A 347 109.905 -5.882 -9.213 1.00 2.03 N ATOM 447 CA PRO A 347 110.145 -7.106 -8.410 1.00 1.99 C ATOM 448 C PRO A 347 109.932 -6.812 -6.923 1.00 1.79 C ATOM 449 O PRO A 347 109.400 -7.622 -6.189 1.00 1.68 O ATOM 450 CB PRO A 347 111.607 -7.456 -8.691 1.00 2.25 C ATOM 451 CG PRO A 347 111.966 -6.713 -9.941 1.00 2.38 C ATOM 452 CD PRO A 347 111.066 -5.510 -10.024 1.00 2.29 C ATOM 0 HA PRO A 347 109.468 -7.921 -8.665 1.00 1.99 H new ATOM 0 HB2 PRO A 347 112.248 -7.159 -7.861 1.00 2.25 H new ATOM 0 HB3 PRO A 347 111.734 -8.530 -8.823 1.00 2.25 H new ATOM 0 HG2 PRO A 347 113.012 -6.409 -9.919 1.00 2.38 H new ATOM 0 HG3 PRO A 347 111.837 -7.350 -10.816 1.00 2.38 H new ATOM 0 HD2 PRO A 347 111.556 -4.617 -9.635 1.00 2.29 H new ATOM 0 HD3 PRO A 347 110.781 -5.294 -11.054 1.00 2.29 H new ATOM 460 N GLU A 348 110.324 -5.650 -6.475 1.00 1.76 N ATOM 461 CA GLU A 348 110.121 -5.297 -5.041 1.00 1.64 C ATOM 462 C GLU A 348 108.625 -5.235 -4.721 1.00 1.41 C ATOM 463 O GLU A 348 108.190 -5.627 -3.658 1.00 1.31 O ATOM 464 CB GLU A 348 110.765 -3.920 -4.877 1.00 1.72 C ATOM 465 CG GLU A 348 112.272 -4.030 -5.125 1.00 2.14 C ATOM 466 CD GLU A 348 112.929 -2.669 -4.893 1.00 2.49 C ATOM 467 OE1 GLU A 348 112.204 -1.703 -4.731 1.00 3.25 O ATOM 468 OE2 GLU A 348 114.148 -2.617 -4.885 1.00 2.49 O ATOM 0 H GLU A 348 110.776 -4.931 -7.040 1.00 1.76 H new ATOM 0 HA GLU A 348 110.559 -6.033 -4.367 1.00 1.64 H new ATOM 0 HB2 GLU A 348 110.321 -3.213 -5.578 1.00 1.72 H new ATOM 0 HB3 GLU A 348 110.577 -3.536 -3.874 1.00 1.72 H new ATOM 0 HG2 GLU A 348 112.707 -4.774 -4.458 1.00 2.14 H new ATOM 0 HG3 GLU A 348 112.460 -4.367 -6.144 1.00 2.14 H new ATOM 475 N GLY A 349 107.830 -4.786 -5.652 1.00 1.42 N ATOM 476 CA GLY A 349 106.358 -4.752 -5.419 1.00 1.30 C ATOM 477 C GLY A 349 105.859 -6.161 -5.106 1.00 1.23 C ATOM 478 O GLY A 349 104.940 -6.348 -4.333 1.00 1.23 O ATOM 0 H GLY A 349 108.135 -4.442 -6.563 1.00 1.42 H new ATOM 0 HA2 GLY A 349 106.125 -4.080 -4.593 1.00 1.30 H new ATOM 0 HA3 GLY A 349 105.849 -4.362 -6.300 1.00 1.30 H new ATOM 482 N ARG A 350 106.554 -7.159 -5.575 1.00 1.19 N ATOM 483 CA ARG A 350 106.216 -8.552 -5.165 1.00 1.15 C ATOM 484 C ARG A 350 106.723 -8.805 -3.751 1.00 1.06 C ATOM 485 O ARG A 350 106.078 -9.453 -2.956 1.00 0.94 O ATOM 486 CB ARG A 350 106.936 -9.453 -6.164 1.00 1.18 C ATOM 487 CG ARG A 350 106.703 -8.925 -7.576 1.00 1.81 C ATOM 488 CD ARG A 350 107.307 -9.894 -8.595 1.00 2.33 C ATOM 489 NE ARG A 350 106.454 -11.113 -8.516 1.00 2.77 N ATOM 490 CZ ARG A 350 105.266 -11.120 -9.061 1.00 3.16 C ATOM 491 NH1 ARG A 350 104.817 -10.060 -9.676 1.00 3.46 N ATOM 492 NH2 ARG A 350 104.525 -12.193 -8.987 1.00 3.62 N ATOM 0 H ARG A 350 107.338 -7.072 -6.222 1.00 1.19 H new ATOM 0 HA ARG A 350 105.142 -8.737 -5.163 1.00 1.15 H new ATOM 0 HB2 ARG A 350 108.003 -9.479 -5.944 1.00 1.18 H new ATOM 0 HB3 ARG A 350 106.568 -10.476 -6.080 1.00 1.18 H new ATOM 0 HG2 ARG A 350 105.635 -8.808 -7.759 1.00 1.81 H new ATOM 0 HG3 ARG A 350 107.155 -7.939 -7.685 1.00 1.81 H new ATOM 0 HD2 ARG A 350 107.297 -9.469 -9.599 1.00 2.33 H new ATOM 0 HD3 ARG A 350 108.346 -10.122 -8.356 1.00 2.33 H new ATOM 0 HE ARG A 350 106.798 -11.944 -8.035 1.00 2.77 H new ATOM 0 HH11 ARG A 350 105.394 -9.221 -9.733 1.00 3.46 H new ATOM 0 HH12 ARG A 350 103.889 -10.071 -10.100 1.00 3.46 H new ATOM 0 HH21 ARG A 350 104.874 -13.022 -8.505 1.00 3.62 H new ATOM 0 HH22 ARG A 350 103.597 -12.202 -9.411 1.00 3.62 H new ATOM 506 N SER A 351 107.847 -8.247 -3.410 1.00 1.15 N ATOM 507 CA SER A 351 108.351 -8.411 -2.019 1.00 1.10 C ATOM 508 C SER A 351 107.278 -7.958 -1.024 1.00 0.97 C ATOM 509 O SER A 351 106.973 -8.641 -0.070 1.00 0.87 O ATOM 510 CB SER A 351 109.581 -7.509 -1.931 1.00 1.25 C ATOM 511 OG SER A 351 110.484 -7.844 -2.977 1.00 2.40 O ATOM 0 H SER A 351 108.436 -7.688 -4.027 1.00 1.15 H new ATOM 0 HA SER A 351 108.594 -9.447 -1.783 1.00 1.10 H new ATOM 0 HB2 SER A 351 109.286 -6.463 -2.011 1.00 1.25 H new ATOM 0 HB3 SER A 351 110.067 -7.630 -0.963 1.00 1.25 H new ATOM 0 HG SER A 351 111.295 -7.299 -2.896 1.00 2.40 H new ATOM 517 N ILE A 352 106.670 -6.830 -1.268 1.00 1.00 N ATOM 518 CA ILE A 352 105.580 -6.352 -0.370 1.00 0.93 C ATOM 519 C ILE A 352 104.365 -7.295 -0.413 1.00 0.80 C ATOM 520 O ILE A 352 103.867 -7.718 0.613 1.00 0.70 O ATOM 521 CB ILE A 352 105.248 -4.962 -0.911 1.00 1.08 C ATOM 522 CG1 ILE A 352 106.367 -4.006 -0.500 1.00 1.16 C ATOM 523 CG2 ILE A 352 103.916 -4.465 -0.351 1.00 1.16 C ATOM 524 CD1 ILE A 352 106.160 -2.658 -1.175 1.00 1.39 C ATOM 0 H ILE A 352 106.882 -6.216 -2.054 1.00 1.00 H new ATOM 0 HA ILE A 352 105.874 -6.327 0.679 1.00 0.93 H new ATOM 0 HB ILE A 352 105.163 -5.007 -1.997 1.00 1.08 H new ATOM 0 HG12 ILE A 352 106.376 -3.884 0.583 1.00 1.16 H new ATOM 0 HG13 ILE A 352 107.335 -4.420 -0.782 1.00 1.16 H new ATOM 0 HG21 ILE A 352 103.701 -3.474 -0.750 1.00 1.16 H new ATOM 0 HG22 ILE A 352 103.121 -5.153 -0.639 1.00 1.16 H new ATOM 0 HG23 ILE A 352 103.975 -4.413 0.736 1.00 1.16 H new ATOM 0 HD11 ILE A 352 106.959 -1.977 -0.881 1.00 1.39 H new ATOM 0 HD12 ILE A 352 106.173 -2.787 -2.257 1.00 1.39 H new ATOM 0 HD13 ILE A 352 105.199 -2.243 -0.871 1.00 1.39 H new ATOM 536 N VAL A 353 103.888 -7.645 -1.581 1.00 0.86 N ATOM 537 CA VAL A 353 102.715 -8.573 -1.653 1.00 0.82 C ATOM 538 C VAL A 353 103.008 -9.867 -0.882 1.00 0.77 C ATOM 539 O VAL A 353 102.178 -10.362 -0.145 1.00 0.77 O ATOM 540 CB VAL A 353 102.527 -8.875 -3.141 1.00 0.97 C ATOM 541 CG1 VAL A 353 101.473 -9.971 -3.307 1.00 1.18 C ATOM 542 CG2 VAL A 353 102.060 -7.613 -3.866 1.00 1.10 C ATOM 0 H VAL A 353 104.255 -7.333 -2.480 1.00 0.86 H new ATOM 0 HA VAL A 353 101.822 -8.132 -1.210 1.00 0.82 H new ATOM 0 HB VAL A 353 103.474 -9.208 -3.565 1.00 0.97 H new ATOM 0 HG11 VAL A 353 101.337 -10.188 -4.367 1.00 1.18 H new ATOM 0 HG12 VAL A 353 101.802 -10.873 -2.791 1.00 1.18 H new ATOM 0 HG13 VAL A 353 100.528 -9.634 -2.882 1.00 1.18 H new ATOM 0 HG21 VAL A 353 101.927 -7.830 -4.926 1.00 1.10 H new ATOM 0 HG22 VAL A 353 101.113 -7.279 -3.442 1.00 1.10 H new ATOM 0 HG23 VAL A 353 102.807 -6.828 -3.748 1.00 1.10 H new ATOM 552 N ILE A 354 104.238 -10.289 -0.875 1.00 0.79 N ATOM 553 CA ILE A 354 104.638 -11.402 0.036 1.00 0.84 C ATOM 554 C ILE A 354 104.547 -10.953 1.490 1.00 0.72 C ATOM 555 O ILE A 354 104.125 -11.693 2.350 1.00 0.77 O ATOM 556 CB ILE A 354 106.083 -11.704 -0.332 1.00 0.97 C ATOM 557 CG1 ILE A 354 106.158 -12.132 -1.799 1.00 1.21 C ATOM 558 CG2 ILE A 354 106.616 -12.823 0.565 1.00 1.11 C ATOM 559 CD1 ILE A 354 107.604 -12.044 -2.287 1.00 1.36 C ATOM 0 H ILE A 354 104.986 -9.914 -1.459 1.00 0.79 H new ATOM 0 HA ILE A 354 103.993 -12.274 -0.069 1.00 0.84 H new ATOM 0 HB ILE A 354 106.690 -10.810 -0.188 1.00 0.97 H new ATOM 0 HG12 ILE A 354 105.788 -13.151 -1.910 1.00 1.21 H new ATOM 0 HG13 ILE A 354 105.519 -11.493 -2.408 1.00 1.21 H new ATOM 0 HG21 ILE A 354 107.651 -13.039 0.301 1.00 1.11 H new ATOM 0 HG22 ILE A 354 106.565 -12.509 1.608 1.00 1.11 H new ATOM 0 HG23 ILE A 354 106.012 -13.719 0.426 1.00 1.11 H new ATOM 0 HD11 ILE A 354 107.655 -12.349 -3.332 1.00 1.36 H new ATOM 0 HD12 ILE A 354 107.958 -11.018 -2.191 1.00 1.36 H new ATOM 0 HD13 ILE A 354 108.232 -12.702 -1.686 1.00 1.36 H new ATOM 571 N LEU A 355 105.048 -9.798 1.787 1.00 0.63 N ATOM 572 CA LEU A 355 105.112 -9.359 3.209 1.00 0.62 C ATOM 573 C LEU A 355 103.777 -9.597 3.911 1.00 0.55 C ATOM 574 O LEU A 355 103.716 -10.201 4.962 1.00 0.61 O ATOM 575 CB LEU A 355 105.381 -7.864 3.133 1.00 0.64 C ATOM 576 CG LEU A 355 105.404 -7.274 4.544 1.00 0.73 C ATOM 577 CD1 LEU A 355 106.596 -7.837 5.318 1.00 1.14 C ATOM 578 CD2 LEU A 355 105.528 -5.752 4.458 1.00 1.15 C ATOM 0 H LEU A 355 105.419 -9.132 1.109 1.00 0.63 H new ATOM 0 HA LEU A 355 105.872 -9.905 3.768 1.00 0.62 H new ATOM 0 HB2 LEU A 355 106.333 -7.681 2.636 1.00 0.64 H new ATOM 0 HB3 LEU A 355 104.611 -7.376 2.536 1.00 0.64 H new ATOM 0 HG LEU A 355 104.481 -7.537 5.060 1.00 0.73 H new ATOM 0 HD11 LEU A 355 106.610 -7.415 6.323 1.00 1.14 H new ATOM 0 HD12 LEU A 355 106.509 -8.922 5.381 1.00 1.14 H new ATOM 0 HD13 LEU A 355 107.520 -7.577 4.802 1.00 1.14 H new ATOM 0 HD21 LEU A 355 105.544 -5.331 5.463 1.00 1.15 H new ATOM 0 HD22 LEU A 355 106.451 -5.491 3.940 1.00 1.15 H new ATOM 0 HD23 LEU A 355 104.677 -5.348 3.909 1.00 1.15 H new ATOM 590 N ALA A 356 102.702 -9.142 3.338 1.00 0.52 N ATOM 591 CA ALA A 356 101.380 -9.370 3.983 1.00 0.54 C ATOM 592 C ALA A 356 101.056 -10.865 3.982 1.00 0.53 C ATOM 593 O ALA A 356 100.470 -11.392 4.909 1.00 0.57 O ATOM 594 CB ALA A 356 100.376 -8.594 3.130 1.00 0.61 C ATOM 0 H ALA A 356 102.679 -8.626 2.458 1.00 0.52 H new ATOM 0 HA ALA A 356 101.359 -9.039 5.021 1.00 0.54 H new ATOM 0 HB1 ALA A 356 99.376 -8.715 3.545 1.00 0.61 H new ATOM 0 HB2 ALA A 356 100.642 -7.537 3.126 1.00 0.61 H new ATOM 0 HB3 ALA A 356 100.394 -8.976 2.109 1.00 0.61 H new ATOM 600 N LYS A 357 101.404 -11.558 2.935 1.00 0.57 N ATOM 601 CA LYS A 357 101.068 -13.013 2.885 1.00 0.68 C ATOM 602 C LYS A 357 101.771 -13.779 4.012 1.00 0.79 C ATOM 603 O LYS A 357 101.154 -14.525 4.737 1.00 0.93 O ATOM 604 CB LYS A 357 101.531 -13.492 1.512 1.00 0.88 C ATOM 605 CG LYS A 357 100.591 -12.913 0.456 1.00 0.97 C ATOM 606 CD LYS A 357 100.778 -13.656 -0.869 1.00 1.16 C ATOM 607 CE LYS A 357 102.157 -13.331 -1.447 1.00 0.90 C ATOM 608 NZ LYS A 357 102.010 -13.519 -2.918 1.00 1.15 N ATOM 0 H LYS A 357 101.899 -11.190 2.122 1.00 0.57 H new ATOM 0 HA LYS A 357 100.001 -13.186 3.027 1.00 0.68 H new ATOM 0 HB2 LYS A 357 102.556 -13.171 1.324 1.00 0.88 H new ATOM 0 HB3 LYS A 357 101.525 -14.581 1.469 1.00 0.88 H new ATOM 0 HG2 LYS A 357 99.557 -13.000 0.789 1.00 0.97 H new ATOM 0 HG3 LYS A 357 100.793 -11.851 0.319 1.00 0.97 H new ATOM 0 HD2 LYS A 357 100.682 -14.730 -0.712 1.00 1.16 H new ATOM 0 HD3 LYS A 357 99.999 -13.366 -1.574 1.00 1.16 H new ATOM 0 HE2 LYS A 357 102.455 -12.311 -1.207 1.00 0.90 H new ATOM 0 HE3 LYS A 357 102.922 -13.991 -1.039 1.00 0.90 H new ATOM 0 HZ1 LYS A 357 102.901 -13.266 -3.391 1.00 1.15 H new ATOM 0 HZ2 LYS A 357 101.782 -14.513 -3.120 1.00 1.15 H new ATOM 0 HZ3 LYS A 357 101.245 -12.909 -3.271 1.00 1.15 H new ATOM 622 N GLN A 358 103.039 -13.575 4.207 1.00 0.80 N ATOM 623 CA GLN A 358 103.714 -14.271 5.336 1.00 1.01 C ATOM 624 C GLN A 358 103.135 -13.777 6.669 1.00 1.05 C ATOM 625 O GLN A 358 102.912 -14.547 7.583 1.00 1.25 O ATOM 626 CB GLN A 358 105.198 -13.915 5.207 1.00 1.03 C ATOM 627 CG GLN A 358 105.384 -12.403 5.297 1.00 0.99 C ATOM 628 CD GLN A 358 106.863 -12.058 5.119 1.00 1.21 C ATOM 629 OE1 GLN A 358 107.352 -11.984 4.009 1.00 1.62 O ATOM 630 NE2 GLN A 358 107.603 -11.844 6.172 1.00 1.90 N ATOM 0 H GLN A 358 103.633 -12.966 3.644 1.00 0.80 H new ATOM 0 HA GLN A 358 103.568 -15.351 5.309 1.00 1.01 H new ATOM 0 HB2 GLN A 358 105.768 -14.407 5.995 1.00 1.03 H new ATOM 0 HB3 GLN A 358 105.587 -14.281 4.257 1.00 1.03 H new ATOM 0 HG2 GLN A 358 104.789 -11.907 4.530 1.00 0.99 H new ATOM 0 HG3 GLN A 358 105.029 -12.039 6.261 1.00 0.99 H new ATOM 0 HE21 GLN A 358 107.194 -11.906 7.104 1.00 1.90 H new ATOM 0 HE22 GLN A 358 108.591 -11.615 6.063 1.00 1.90 H new ATOM 639 N ARG A 359 102.884 -12.496 6.786 1.00 0.93 N ATOM 640 CA ARG A 359 102.311 -11.954 8.057 1.00 1.10 C ATOM 641 C ARG A 359 100.830 -12.333 8.217 1.00 1.09 C ATOM 642 O ARG A 359 100.380 -12.634 9.305 1.00 1.55 O ATOM 643 CB ARG A 359 102.450 -10.432 7.942 1.00 1.08 C ATOM 644 CG ARG A 359 103.928 -10.038 7.959 1.00 1.26 C ATOM 645 CD ARG A 359 104.547 -10.413 9.309 1.00 1.27 C ATOM 646 NE ARG A 359 103.777 -9.629 10.314 1.00 1.47 N ATOM 647 CZ ARG A 359 104.016 -8.354 10.478 1.00 1.98 C ATOM 648 NH1 ARG A 359 104.933 -7.759 9.762 1.00 2.63 N ATOM 649 NH2 ARG A 359 103.338 -7.674 11.361 1.00 2.38 N ATOM 0 H ARG A 359 103.051 -11.803 6.057 1.00 0.93 H new ATOM 0 HA ARG A 359 102.829 -12.361 8.925 1.00 1.10 H new ATOM 0 HB2 ARG A 359 101.983 -10.085 7.020 1.00 1.08 H new ATOM 0 HB3 ARG A 359 101.927 -9.948 8.766 1.00 1.08 H new ATOM 0 HG2 ARG A 359 104.458 -10.544 7.152 1.00 1.26 H new ATOM 0 HG3 ARG A 359 104.031 -8.967 7.786 1.00 1.26 H new ATOM 0 HD2 ARG A 359 104.466 -11.484 9.497 1.00 1.27 H new ATOM 0 HD3 ARG A 359 105.607 -10.163 9.341 1.00 1.27 H new ATOM 0 HE ARG A 359 103.061 -10.088 10.876 1.00 1.47 H new ATOM 0 HH11 ARG A 359 105.465 -8.289 9.072 1.00 2.63 H new ATOM 0 HH12 ARG A 359 105.116 -6.764 9.893 1.00 2.63 H new ATOM 0 HH21 ARG A 359 102.623 -8.137 11.922 1.00 2.38 H new ATOM 0 HH22 ARG A 359 103.523 -6.679 11.490 1.00 2.38 H new ATOM 663 N PHE A 360 100.042 -12.202 7.178 1.00 0.70 N ATOM 664 CA PHE A 360 98.572 -12.425 7.335 1.00 0.74 C ATOM 665 C PHE A 360 98.126 -13.629 6.509 1.00 0.74 C ATOM 666 O PHE A 360 97.038 -14.143 6.673 1.00 1.09 O ATOM 667 CB PHE A 360 97.920 -11.142 6.824 1.00 0.85 C ATOM 668 CG PHE A 360 98.325 -9.996 7.716 1.00 1.28 C ATOM 669 CD1 PHE A 360 97.829 -9.919 9.024 1.00 2.03 C ATOM 670 CD2 PHE A 360 99.204 -9.013 7.240 1.00 1.78 C ATOM 671 CE1 PHE A 360 98.210 -8.859 9.858 1.00 3.03 C ATOM 672 CE2 PHE A 360 99.586 -7.952 8.074 1.00 2.74 C ATOM 673 CZ PHE A 360 99.089 -7.875 9.383 1.00 3.32 C ATOM 0 H PHE A 360 100.349 -11.953 6.238 1.00 0.70 H new ATOM 0 HA PHE A 360 98.294 -12.636 8.368 1.00 0.74 H new ATOM 0 HB2 PHE A 360 98.228 -10.947 5.797 1.00 0.85 H new ATOM 0 HB3 PHE A 360 96.835 -11.248 6.817 1.00 0.85 H new ATOM 0 HD1 PHE A 360 97.152 -10.677 9.390 1.00 2.03 H new ATOM 0 HD2 PHE A 360 99.587 -9.073 6.232 1.00 1.78 H new ATOM 0 HE1 PHE A 360 97.827 -8.800 10.866 1.00 3.03 H new ATOM 0 HE2 PHE A 360 100.263 -7.194 7.708 1.00 2.74 H new ATOM 0 HZ PHE A 360 99.383 -7.058 10.025 1.00 3.32 H new ATOM 683 N ASN A 361 98.963 -14.081 5.626 1.00 0.72 N ATOM 684 CA ASN A 361 98.602 -15.255 4.785 1.00 0.77 C ATOM 685 C ASN A 361 97.363 -14.946 3.955 1.00 0.91 C ATOM 686 O ASN A 361 96.404 -15.693 3.930 1.00 1.34 O ATOM 687 CB ASN A 361 98.329 -16.371 5.787 1.00 0.79 C ATOM 688 CG ASN A 361 98.675 -17.723 5.160 1.00 1.27 C ATOM 689 OD1 ASN A 361 98.896 -18.692 5.861 1.00 1.68 O ATOM 690 ND2 ASN A 361 98.731 -17.834 3.860 1.00 1.90 N ATOM 0 H ASN A 361 99.887 -13.688 5.447 1.00 0.72 H new ATOM 0 HA ASN A 361 99.386 -15.526 4.077 1.00 0.77 H new ATOM 0 HB2 ASN A 361 98.921 -16.216 6.689 1.00 0.79 H new ATOM 0 HB3 ASN A 361 97.281 -16.356 6.086 1.00 0.79 H new ATOM 0 HD21 ASN A 361 98.960 -18.732 3.434 1.00 1.90 H new ATOM 0 HD22 ASN A 361 98.546 -17.022 3.270 1.00 1.90 H new ATOM 697 N LEU A 362 97.384 -13.835 3.285 1.00 0.88 N ATOM 698 CA LEU A 362 96.222 -13.429 2.452 1.00 1.13 C ATOM 699 C LEU A 362 96.599 -13.512 0.969 1.00 1.12 C ATOM 700 O LEU A 362 97.688 -13.925 0.623 1.00 1.73 O ATOM 701 CB LEU A 362 95.943 -11.986 2.868 1.00 1.68 C ATOM 702 CG LEU A 362 95.948 -11.896 4.395 1.00 2.21 C ATOM 703 CD1 LEU A 362 95.825 -10.432 4.823 1.00 2.65 C ATOM 704 CD2 LEU A 362 94.765 -12.689 4.953 1.00 2.80 C ATOM 0 H LEU A 362 98.166 -13.181 3.278 1.00 0.88 H new ATOM 0 HA LEU A 362 95.349 -14.067 2.591 1.00 1.13 H new ATOM 0 HB2 LEU A 362 96.699 -11.321 2.450 1.00 1.68 H new ATOM 0 HB3 LEU A 362 94.980 -11.661 2.475 1.00 1.68 H new ATOM 0 HG LEU A 362 96.880 -12.309 4.780 1.00 2.21 H new ATOM 0 HD11 LEU A 362 95.829 -10.370 5.911 1.00 2.65 H new ATOM 0 HD12 LEU A 362 96.666 -9.864 4.424 1.00 2.65 H new ATOM 0 HD13 LEU A 362 94.893 -10.018 4.439 1.00 2.65 H new ATOM 0 HD21 LEU A 362 94.766 -12.627 6.041 1.00 2.80 H new ATOM 0 HD22 LEU A 362 93.834 -12.274 4.567 1.00 2.80 H new ATOM 0 HD23 LEU A 362 94.851 -13.732 4.649 1.00 2.80 H new ATOM 716 N ARG A 363 95.703 -13.167 0.085 1.00 1.10 N ATOM 717 CA ARG A 363 96.016 -13.276 -1.365 1.00 1.09 C ATOM 718 C ARG A 363 95.839 -11.918 -2.048 1.00 0.86 C ATOM 719 O ARG A 363 95.020 -11.114 -1.649 1.00 1.03 O ATOM 720 CB ARG A 363 94.998 -14.278 -1.904 1.00 1.21 C ATOM 721 CG ARG A 363 93.610 -13.634 -1.925 1.00 2.11 C ATOM 722 CD ARG A 363 92.555 -14.700 -2.226 1.00 2.74 C ATOM 723 NE ARG A 363 91.275 -13.950 -2.353 1.00 3.36 N ATOM 724 CZ ARG A 363 91.052 -13.204 -3.403 1.00 3.92 C ATOM 725 NH1 ARG A 363 91.949 -13.112 -4.348 1.00 4.21 N ATOM 726 NH2 ARG A 363 89.929 -12.548 -3.507 1.00 4.40 N ATOM 0 H ARG A 363 94.771 -12.816 0.305 1.00 1.10 H new ATOM 0 HA ARG A 363 97.044 -13.591 -1.547 1.00 1.09 H new ATOM 0 HB2 ARG A 363 95.279 -14.594 -2.909 1.00 1.21 H new ATOM 0 HB3 ARG A 363 94.986 -15.172 -1.280 1.00 1.21 H new ATOM 0 HG2 ARG A 363 93.402 -13.163 -0.964 1.00 2.11 H new ATOM 0 HG3 ARG A 363 93.574 -12.848 -2.680 1.00 2.11 H new ATOM 0 HD2 ARG A 363 92.789 -15.239 -3.144 1.00 2.74 H new ATOM 0 HD3 ARG A 363 92.502 -15.439 -1.427 1.00 2.74 H new ATOM 0 HE ARG A 363 90.570 -14.019 -1.619 1.00 3.36 H new ATOM 0 HH11 ARG A 363 92.828 -13.624 -4.268 1.00 4.21 H new ATOM 0 HH12 ARG A 363 91.771 -12.529 -5.165 1.00 4.21 H new ATOM 0 HH21 ARG A 363 89.227 -12.618 -2.770 1.00 4.40 H new ATOM 0 HH22 ARG A 363 89.753 -11.965 -4.325 1.00 4.40 H new ATOM 740 N GLU A 364 96.560 -11.678 -3.109 1.00 0.74 N ATOM 741 CA GLU A 364 96.381 -10.401 -3.854 1.00 0.86 C ATOM 742 C GLU A 364 94.901 -10.199 -4.185 1.00 1.02 C ATOM 743 O GLU A 364 94.147 -11.146 -4.282 1.00 0.95 O ATOM 744 CB GLU A 364 97.204 -10.569 -5.133 1.00 0.96 C ATOM 745 CG GLU A 364 96.488 -11.534 -6.081 1.00 1.26 C ATOM 746 CD GLU A 364 97.369 -11.798 -7.302 1.00 1.69 C ATOM 747 OE1 GLU A 364 98.410 -11.171 -7.404 1.00 2.21 O ATOM 748 OE2 GLU A 364 96.989 -12.625 -8.115 1.00 2.24 O ATOM 0 H GLU A 364 97.264 -12.310 -3.491 1.00 0.74 H new ATOM 0 HA GLU A 364 96.703 -9.532 -3.280 1.00 0.86 H new ATOM 0 HB2 GLU A 364 97.343 -9.603 -5.618 1.00 0.96 H new ATOM 0 HB3 GLU A 364 98.196 -10.950 -4.892 1.00 0.96 H new ATOM 0 HG2 GLU A 364 96.270 -12.470 -5.567 1.00 1.26 H new ATOM 0 HG3 GLU A 364 95.533 -11.112 -6.393 1.00 1.26 H new ATOM 755 N ARG A 365 94.469 -8.977 -4.336 1.00 1.36 N ATOM 756 CA ARG A 365 93.028 -8.742 -4.633 1.00 1.73 C ATOM 757 C ARG A 365 92.827 -8.517 -6.129 1.00 1.59 C ATOM 758 O ARG A 365 93.579 -7.814 -6.773 1.00 1.56 O ATOM 759 CB ARG A 365 92.657 -7.486 -3.842 1.00 1.83 C ATOM 760 CG ARG A 365 92.798 -7.766 -2.345 1.00 2.15 C ATOM 761 CD ARG A 365 92.359 -6.533 -1.551 1.00 2.41 C ATOM 762 NE ARG A 365 90.886 -6.449 -1.754 1.00 3.18 N ATOM 763 CZ ARG A 365 90.179 -5.573 -1.092 1.00 3.60 C ATOM 764 NH1 ARG A 365 90.759 -4.763 -0.246 1.00 4.16 N ATOM 765 NH2 ARG A 365 88.888 -5.506 -1.276 1.00 3.72 N ATOM 0 H ARG A 365 95.045 -8.138 -4.267 1.00 1.36 H new ATOM 0 HA ARG A 365 92.406 -9.593 -4.356 1.00 1.73 H new ATOM 0 HB2 ARG A 365 93.304 -6.657 -4.130 1.00 1.83 H new ATOM 0 HB3 ARG A 365 91.634 -7.187 -4.072 1.00 1.83 H new ATOM 0 HG2 ARG A 365 92.190 -8.627 -2.066 1.00 2.15 H new ATOM 0 HG3 ARG A 365 93.832 -8.016 -2.107 1.00 2.15 H new ATOM 0 HD2 ARG A 365 92.607 -6.635 -0.494 1.00 2.41 H new ATOM 0 HD3 ARG A 365 92.859 -5.634 -1.910 1.00 2.41 H new ATOM 0 HE ARG A 365 90.427 -7.078 -2.413 1.00 3.18 H new ATOM 0 HH11 ARG A 365 91.767 -4.814 -0.101 1.00 4.16 H new ATOM 0 HH12 ARG A 365 90.203 -4.080 0.269 1.00 4.16 H new ATOM 0 HH21 ARG A 365 88.433 -6.137 -1.936 1.00 3.72 H new ATOM 0 HH22 ARG A 365 88.334 -4.822 -0.760 1.00 3.72 H new ATOM 779 N ASP A 366 91.820 -9.126 -6.686 1.00 1.70 N ATOM 780 CA ASP A 366 91.567 -8.974 -8.142 1.00 1.93 C ATOM 781 C ASP A 366 90.884 -7.632 -8.418 1.00 2.04 C ATOM 782 O ASP A 366 89.777 -7.382 -7.985 1.00 2.65 O ATOM 783 CB ASP A 366 90.653 -10.145 -8.496 1.00 2.62 C ATOM 784 CG ASP A 366 89.435 -10.148 -7.571 1.00 2.50 C ATOM 785 OD1 ASP A 366 89.367 -9.287 -6.709 1.00 2.86 O ATOM 786 OD2 ASP A 366 88.590 -11.012 -7.740 1.00 2.50 O ATOM 0 H ASP A 366 91.159 -9.725 -6.192 1.00 1.70 H new ATOM 0 HA ASP A 366 92.481 -8.982 -8.736 1.00 1.93 H new ATOM 0 HB2 ASP A 366 90.332 -10.067 -9.535 1.00 2.62 H new ATOM 0 HB3 ASP A 366 91.197 -11.085 -8.400 1.00 2.62 H new ATOM 791 N VAL A 367 91.566 -6.747 -9.089 1.00 1.75 N ATOM 792 CA VAL A 367 90.995 -5.394 -9.341 1.00 2.31 C ATOM 793 C VAL A 367 89.844 -5.469 -10.351 1.00 2.53 C ATOM 794 O VAL A 367 88.875 -4.742 -10.250 1.00 3.04 O ATOM 795 CB VAL A 367 92.159 -4.582 -9.913 1.00 2.28 C ATOM 796 CG1 VAL A 367 91.652 -3.217 -10.369 1.00 2.89 C ATOM 797 CG2 VAL A 367 93.236 -4.390 -8.840 1.00 2.52 C ATOM 0 H VAL A 367 92.497 -6.902 -9.475 1.00 1.75 H new ATOM 0 HA VAL A 367 90.583 -4.947 -8.436 1.00 2.31 H new ATOM 0 HB VAL A 367 92.586 -5.117 -10.761 1.00 2.28 H new ATOM 0 HG11 VAL A 367 92.481 -2.638 -10.776 1.00 2.89 H new ATOM 0 HG12 VAL A 367 90.890 -3.350 -11.137 1.00 2.89 H new ATOM 0 HG13 VAL A 367 91.222 -2.686 -9.520 1.00 2.89 H new ATOM 0 HG21 VAL A 367 94.062 -3.811 -9.253 1.00 2.52 H new ATOM 0 HG22 VAL A 367 92.811 -3.859 -7.989 1.00 2.52 H new ATOM 0 HG23 VAL A 367 93.602 -5.363 -8.514 1.00 2.52 H new ATOM 807 N GLN A 368 90.006 -6.231 -11.399 1.00 2.20 N ATOM 808 CA GLN A 368 88.991 -6.214 -12.494 1.00 2.40 C ATOM 809 C GLN A 368 87.691 -6.904 -12.067 1.00 2.11 C ATOM 810 O GLN A 368 86.629 -6.593 -12.569 1.00 2.30 O ATOM 811 CB GLN A 368 89.632 -6.963 -13.659 1.00 2.46 C ATOM 812 CG GLN A 368 88.744 -6.809 -14.896 1.00 3.09 C ATOM 813 CD GLN A 368 89.429 -7.455 -16.102 1.00 3.29 C ATOM 814 OE1 GLN A 368 90.573 -7.859 -16.022 1.00 3.32 O ATOM 815 NE2 GLN A 368 88.774 -7.570 -17.224 1.00 3.69 N ATOM 0 H GLN A 368 90.794 -6.862 -11.545 1.00 2.20 H new ATOM 0 HA GLN A 368 88.721 -5.192 -12.761 1.00 2.40 H new ATOM 0 HB2 GLN A 368 90.628 -6.568 -13.859 1.00 2.46 H new ATOM 0 HB3 GLN A 368 89.751 -8.017 -13.409 1.00 2.46 H new ATOM 0 HG2 GLN A 368 87.775 -7.277 -14.721 1.00 3.09 H new ATOM 0 HG3 GLN A 368 88.557 -5.753 -15.093 1.00 3.09 H new ATOM 0 HE21 GLN A 368 87.814 -7.231 -17.291 1.00 3.69 H new ATOM 0 HE22 GLN A 368 89.221 -7.999 -18.034 1.00 3.69 H new ATOM 824 N SER A 369 87.732 -7.717 -11.047 1.00 1.80 N ATOM 825 CA SER A 369 86.455 -8.262 -10.501 1.00 1.87 C ATOM 826 C SER A 369 85.746 -7.169 -9.704 1.00 1.79 C ATOM 827 O SER A 369 84.533 -7.097 -9.670 1.00 2.27 O ATOM 828 CB SER A 369 86.853 -9.425 -9.596 1.00 2.47 C ATOM 829 OG SER A 369 87.332 -8.909 -8.362 1.00 3.05 O ATOM 0 H SER A 369 88.581 -8.025 -10.573 1.00 1.80 H new ATOM 0 HA SER A 369 85.773 -8.595 -11.283 1.00 1.87 H new ATOM 0 HB2 SER A 369 85.997 -10.078 -9.424 1.00 2.47 H new ATOM 0 HB3 SER A 369 87.623 -10.029 -10.076 1.00 2.47 H new ATOM 0 HG SER A 369 88.104 -8.329 -8.528 1.00 3.05 H new ATOM 835 N LEU A 370 86.495 -6.225 -9.212 1.00 1.38 N ATOM 836 CA LEU A 370 85.872 -5.025 -8.593 1.00 1.39 C ATOM 837 C LEU A 370 85.667 -3.944 -9.657 1.00 1.12 C ATOM 838 O LEU A 370 85.333 -2.818 -9.349 1.00 1.30 O ATOM 839 CB LEU A 370 86.886 -4.558 -7.551 1.00 1.54 C ATOM 840 CG LEU A 370 87.242 -5.724 -6.627 1.00 1.39 C ATOM 841 CD1 LEU A 370 88.450 -5.345 -5.770 1.00 1.80 C ATOM 842 CD2 LEU A 370 86.049 -6.032 -5.718 1.00 2.14 C ATOM 0 H LEU A 370 87.515 -6.233 -9.212 1.00 1.38 H new ATOM 0 HA LEU A 370 84.898 -5.236 -8.152 1.00 1.39 H new ATOM 0 HB2 LEU A 370 87.783 -4.183 -8.044 1.00 1.54 H new ATOM 0 HB3 LEU A 370 86.473 -3.733 -6.970 1.00 1.54 H new ATOM 0 HG LEU A 370 87.483 -6.603 -7.225 1.00 1.39 H new ATOM 0 HD11 LEU A 370 88.704 -6.176 -5.111 1.00 1.80 H new ATOM 0 HD12 LEU A 370 89.299 -5.122 -6.416 1.00 1.80 H new ATOM 0 HD13 LEU A 370 88.210 -4.467 -5.170 1.00 1.80 H new ATOM 0 HD21 LEU A 370 86.299 -6.863 -5.058 1.00 2.14 H new ATOM 0 HD22 LEU A 370 85.811 -5.152 -5.120 1.00 2.14 H new ATOM 0 HD23 LEU A 370 85.187 -6.300 -6.328 1.00 2.14 H new ATOM 854 N HIS A 371 86.012 -4.236 -10.886 1.00 1.29 N ATOM 855 CA HIS A 371 85.996 -3.173 -11.928 1.00 1.13 C ATOM 856 C HIS A 371 86.912 -2.038 -11.487 1.00 1.00 C ATOM 857 O HIS A 371 86.731 -0.891 -11.846 1.00 1.35 O ATOM 858 CB HIS A 371 84.551 -2.695 -11.986 1.00 1.54 C ATOM 859 CG HIS A 371 83.634 -3.877 -12.149 1.00 1.50 C ATOM 860 ND1 HIS A 371 83.572 -4.607 -13.324 1.00 1.97 N ATOM 861 CD2 HIS A 371 82.737 -4.466 -11.292 1.00 1.80 C ATOM 862 CE1 HIS A 371 82.666 -5.586 -13.146 1.00 2.10 C ATOM 863 NE2 HIS A 371 82.126 -5.545 -11.925 1.00 1.80 N ATOM 0 H HIS A 371 86.302 -5.159 -11.208 1.00 1.29 H new ATOM 0 HA HIS A 371 86.340 -3.525 -12.900 1.00 1.13 H new ATOM 0 HB2 HIS A 371 84.301 -2.151 -11.075 1.00 1.54 H new ATOM 0 HB3 HIS A 371 84.420 -2.003 -12.818 1.00 1.54 H new ATOM 0 HD2 HIS A 371 82.536 -4.142 -10.282 1.00 1.80 H new ATOM 0 HE1 HIS A 371 82.407 -6.316 -13.899 1.00 2.10 H new ATOM 0 HE2 HIS A 371 81.418 -6.170 -11.539 1.00 1.80 H new ATOM 871 N ALA A 372 87.908 -2.367 -10.723 1.00 0.75 N ATOM 872 CA ALA A 372 88.875 -1.338 -10.253 1.00 0.94 C ATOM 873 C ALA A 372 89.991 -1.148 -11.289 1.00 0.90 C ATOM 874 O ALA A 372 89.873 -1.551 -12.429 1.00 1.04 O ATOM 875 CB ALA A 372 89.439 -1.893 -8.944 1.00 1.12 C ATOM 0 H ALA A 372 88.098 -3.315 -10.399 1.00 0.75 H new ATOM 0 HA ALA A 372 88.408 -0.363 -10.111 1.00 0.94 H new ATOM 0 HB1 ALA A 372 90.163 -1.190 -8.532 1.00 1.12 H new ATOM 0 HB2 ALA A 372 88.628 -2.038 -8.231 1.00 1.12 H new ATOM 0 HB3 ALA A 372 89.929 -2.848 -9.135 1.00 1.12 H new ATOM 881 N THR A 373 91.046 -0.491 -10.904 1.00 0.85 N ATOM 882 CA THR A 373 92.158 -0.207 -11.859 1.00 0.95 C ATOM 883 C THR A 373 93.513 -0.408 -11.179 1.00 0.93 C ATOM 884 O THR A 373 93.721 0.007 -10.062 1.00 0.95 O ATOM 885 CB THR A 373 91.984 1.262 -12.234 1.00 1.32 C ATOM 886 OG1 THR A 373 90.791 1.424 -12.989 1.00 2.11 O ATOM 887 CG2 THR A 373 93.187 1.731 -13.052 1.00 1.90 C ATOM 0 H THR A 373 91.190 -0.134 -9.960 1.00 0.85 H new ATOM 0 HA THR A 373 92.130 -0.869 -12.725 1.00 0.95 H new ATOM 0 HB THR A 373 91.916 1.861 -11.326 1.00 1.32 H new ATOM 0 HG1 THR A 373 90.680 2.368 -13.227 1.00 2.11 H new ATOM 0 HG21 THR A 373 93.059 2.780 -13.318 1.00 1.90 H new ATOM 0 HG22 THR A 373 94.096 1.614 -12.462 1.00 1.90 H new ATOM 0 HG23 THR A 373 93.265 1.133 -13.960 1.00 1.90 H new ATOM 895 N PHE A 374 94.475 -0.907 -11.896 1.00 1.01 N ATOM 896 CA PHE A 374 95.861 -0.971 -11.342 1.00 1.25 C ATOM 897 C PHE A 374 96.609 0.326 -11.685 1.00 1.63 C ATOM 898 O PHE A 374 96.562 0.794 -12.806 1.00 1.61 O ATOM 899 CB PHE A 374 96.527 -2.149 -12.061 1.00 1.33 C ATOM 900 CG PHE A 374 95.900 -3.457 -11.639 1.00 1.63 C ATOM 901 CD1 PHE A 374 96.211 -4.018 -10.390 1.00 2.53 C ATOM 902 CD2 PHE A 374 95.023 -4.123 -12.506 1.00 1.41 C ATOM 903 CE1 PHE A 374 95.645 -5.243 -10.012 1.00 3.09 C ATOM 904 CE2 PHE A 374 94.455 -5.347 -12.125 1.00 1.89 C ATOM 905 CZ PHE A 374 94.766 -5.907 -10.878 1.00 2.72 C ATOM 0 H PHE A 374 94.367 -1.274 -12.841 1.00 1.01 H new ATOM 0 HA PHE A 374 95.867 -1.092 -10.259 1.00 1.25 H new ATOM 0 HB2 PHE A 374 96.430 -2.025 -13.140 1.00 1.33 H new ATOM 0 HB3 PHE A 374 97.594 -2.162 -11.836 1.00 1.33 H new ATOM 0 HD1 PHE A 374 96.886 -3.506 -9.721 1.00 2.53 H new ATOM 0 HD2 PHE A 374 94.785 -3.693 -13.468 1.00 1.41 H new ATOM 0 HE1 PHE A 374 95.886 -5.676 -9.052 1.00 3.09 H new ATOM 0 HE2 PHE A 374 93.778 -5.859 -12.793 1.00 1.89 H new ATOM 0 HZ PHE A 374 94.328 -6.850 -10.585 1.00 2.72 H new ATOM 915 N VAL A 375 97.368 0.861 -10.768 1.00 2.14 N ATOM 916 CA VAL A 375 98.191 2.065 -11.095 1.00 2.61 C ATOM 917 C VAL A 375 99.664 1.667 -11.237 1.00 2.22 C ATOM 918 O VAL A 375 100.275 1.223 -10.285 1.00 1.65 O ATOM 919 CB VAL A 375 98.008 3.013 -9.910 1.00 3.32 C ATOM 920 CG1 VAL A 375 98.580 4.387 -10.263 1.00 4.00 C ATOM 921 CG2 VAL A 375 96.518 3.148 -9.589 1.00 3.65 C ATOM 0 H VAL A 375 97.455 0.520 -9.811 1.00 2.14 H new ATOM 0 HA VAL A 375 97.888 2.529 -12.034 1.00 2.61 H new ATOM 0 HB VAL A 375 98.532 2.613 -9.042 1.00 3.32 H new ATOM 0 HG11 VAL A 375 98.450 5.063 -9.418 1.00 4.00 H new ATOM 0 HG12 VAL A 375 99.642 4.292 -10.491 1.00 4.00 H new ATOM 0 HG13 VAL A 375 98.057 4.787 -11.132 1.00 4.00 H new ATOM 0 HG21 VAL A 375 96.388 3.824 -8.744 1.00 3.65 H new ATOM 0 HG22 VAL A 375 95.993 3.547 -10.457 1.00 3.65 H new ATOM 0 HG23 VAL A 375 96.110 2.169 -9.337 1.00 3.65 H new ATOM 931 N PRO A 376 100.156 1.760 -12.445 1.00 2.87 N ATOM 932 CA PRO A 376 101.540 1.313 -12.747 1.00 2.67 C ATOM 933 C PRO A 376 102.560 1.997 -11.830 1.00 2.48 C ATOM 934 O PRO A 376 102.376 3.116 -11.397 1.00 3.24 O ATOM 935 CB PRO A 376 101.761 1.726 -14.206 1.00 3.84 C ATOM 936 CG PRO A 376 100.612 2.620 -14.563 1.00 4.63 C ATOM 937 CD PRO A 376 99.482 2.291 -13.628 1.00 4.03 C ATOM 0 HA PRO A 376 101.668 0.242 -12.588 1.00 2.67 H new ATOM 0 HB2 PRO A 376 102.711 2.247 -14.324 1.00 3.84 H new ATOM 0 HB3 PRO A 376 101.793 0.853 -14.858 1.00 3.84 H new ATOM 0 HG2 PRO A 376 100.897 3.668 -14.468 1.00 4.63 H new ATOM 0 HG3 PRO A 376 100.311 2.464 -15.599 1.00 4.63 H new ATOM 0 HD2 PRO A 376 98.890 3.174 -13.389 1.00 4.03 H new ATOM 0 HD3 PRO A 376 98.802 1.559 -14.064 1.00 4.03 H new ATOM 945 N PHE A 377 103.658 1.336 -11.575 1.00 2.13 N ATOM 946 CA PHE A 377 104.734 1.938 -10.733 1.00 3.07 C ATOM 947 C PHE A 377 105.828 2.523 -11.629 1.00 3.61 C ATOM 948 O PHE A 377 106.468 1.817 -12.384 1.00 4.10 O ATOM 949 CB PHE A 377 105.278 0.757 -9.919 1.00 3.15 C ATOM 950 CG PHE A 377 106.423 1.200 -9.030 1.00 3.91 C ATOM 951 CD1 PHE A 377 106.711 2.564 -8.862 1.00 4.01 C ATOM 952 CD2 PHE A 377 107.211 0.236 -8.383 1.00 4.73 C ATOM 953 CE1 PHE A 377 107.781 2.960 -8.049 1.00 4.92 C ATOM 954 CE2 PHE A 377 108.283 0.635 -7.572 1.00 5.70 C ATOM 955 CZ PHE A 377 108.567 1.996 -7.405 1.00 5.79 C ATOM 0 H PHE A 377 103.857 0.396 -11.917 1.00 2.13 H new ATOM 0 HA PHE A 377 104.376 2.749 -10.098 1.00 3.07 H new ATOM 0 HB2 PHE A 377 104.481 0.332 -9.309 1.00 3.15 H new ATOM 0 HB3 PHE A 377 105.618 -0.030 -10.593 1.00 3.15 H new ATOM 0 HD1 PHE A 377 106.107 3.308 -9.360 1.00 4.01 H new ATOM 0 HD2 PHE A 377 106.992 -0.814 -8.510 1.00 4.73 H new ATOM 0 HE1 PHE A 377 108.000 4.010 -7.919 1.00 4.92 H new ATOM 0 HE2 PHE A 377 108.890 -0.108 -7.076 1.00 5.70 H new ATOM 0 HZ PHE A 377 109.392 2.302 -6.779 1.00 5.79 H new ATOM 965 N THR A 378 106.104 3.789 -11.491 1.00 3.85 N ATOM 966 CA THR A 378 107.222 4.394 -12.268 1.00 4.47 C ATOM 967 C THR A 378 108.342 4.819 -11.319 1.00 4.28 C ATOM 968 O THR A 378 108.093 5.290 -10.226 1.00 3.71 O ATOM 969 CB THR A 378 106.614 5.614 -12.961 1.00 4.59 C ATOM 970 OG1 THR A 378 106.308 6.604 -11.990 1.00 4.26 O ATOM 971 CG2 THR A 378 105.337 5.205 -13.696 1.00 5.29 C ATOM 0 H THR A 378 105.605 4.431 -10.875 1.00 3.85 H new ATOM 0 HA THR A 378 107.654 3.697 -12.986 1.00 4.47 H new ATOM 0 HB THR A 378 107.328 6.017 -13.679 1.00 4.59 H new ATOM 0 HG1 THR A 378 105.920 7.387 -12.433 1.00 4.26 H new ATOM 0 HG21 THR A 378 104.906 6.076 -14.189 1.00 5.29 H new ATOM 0 HG22 THR A 378 105.574 4.446 -14.442 1.00 5.29 H new ATOM 0 HG23 THR A 378 104.620 4.800 -12.982 1.00 5.29 H new ATOM 979 N ALA A 379 109.571 4.644 -11.723 1.00 5.01 N ATOM 980 CA ALA A 379 110.709 5.026 -10.841 1.00 5.10 C ATOM 981 C ALA A 379 110.858 6.547 -10.792 1.00 5.05 C ATOM 982 O ALA A 379 111.348 7.102 -9.828 1.00 5.37 O ATOM 983 CB ALA A 379 111.940 4.388 -11.485 1.00 6.13 C ATOM 0 H ALA A 379 109.836 4.252 -12.627 1.00 5.01 H new ATOM 0 HA ALA A 379 110.564 4.690 -9.814 1.00 5.10 H new ATOM 0 HB1 ALA A 379 112.824 4.624 -10.893 1.00 6.13 H new ATOM 0 HB2 ALA A 379 111.809 3.307 -11.527 1.00 6.13 H new ATOM 0 HB3 ALA A 379 112.066 4.778 -12.495 1.00 6.13 H new ATOM 989 N GLN A 380 110.507 7.222 -11.854 1.00 4.87 N ATOM 990 CA GLN A 380 110.706 8.695 -11.899 1.00 4.93 C ATOM 991 C GLN A 380 110.139 9.338 -10.632 1.00 4.05 C ATOM 992 O GLN A 380 110.843 9.992 -9.888 1.00 3.84 O ATOM 993 CB GLN A 380 109.922 9.147 -13.127 1.00 5.65 C ATOM 994 CG GLN A 380 110.603 10.363 -13.745 1.00 6.07 C ATOM 995 CD GLN A 380 109.743 10.931 -14.880 1.00 7.03 C ATOM 996 OE1 GLN A 380 109.998 12.017 -15.359 1.00 7.74 O ATOM 997 NE2 GLN A 380 108.731 10.240 -15.341 1.00 7.22 N ATOM 0 H GLN A 380 110.091 6.814 -12.691 1.00 4.87 H new ATOM 0 HA GLN A 380 111.757 8.978 -11.954 1.00 4.93 H new ATOM 0 HB2 GLN A 380 109.868 8.338 -13.855 1.00 5.65 H new ATOM 0 HB3 GLN A 380 108.898 9.393 -12.847 1.00 5.65 H new ATOM 0 HG2 GLN A 380 110.763 11.126 -12.983 1.00 6.07 H new ATOM 0 HG3 GLN A 380 111.585 10.084 -14.127 1.00 6.07 H new ATOM 0 HE21 GLN A 380 108.513 9.327 -14.942 1.00 7.22 H new ATOM 0 HE22 GLN A 380 108.161 10.615 -16.099 1.00 7.22 H new ATOM 1006 N SER A 381 108.901 9.068 -10.327 1.00 3.64 N ATOM 1007 CA SER A 381 108.325 9.565 -9.045 1.00 3.06 C ATOM 1008 C SER A 381 108.518 8.516 -7.950 1.00 2.42 C ATOM 1009 O SER A 381 108.320 8.784 -6.782 1.00 3.00 O ATOM 1010 CB SER A 381 106.839 9.774 -9.333 1.00 3.49 C ATOM 1011 OG SER A 381 106.202 8.509 -9.454 1.00 3.82 O ATOM 0 H SER A 381 108.263 8.525 -10.909 1.00 3.64 H new ATOM 0 HA SER A 381 108.803 10.482 -8.700 1.00 3.06 H new ATOM 0 HB2 SER A 381 106.379 10.351 -8.531 1.00 3.49 H new ATOM 0 HB3 SER A 381 106.712 10.348 -10.251 1.00 3.49 H new ATOM 0 HG SER A 381 106.393 8.130 -10.337 1.00 3.82 H new ATOM 1017 N ARG A 382 108.852 7.311 -8.328 1.00 1.65 N ATOM 1018 CA ARG A 382 108.995 6.221 -7.320 1.00 1.74 C ATOM 1019 C ARG A 382 107.643 5.947 -6.662 1.00 1.57 C ATOM 1020 O ARG A 382 107.495 6.075 -5.462 1.00 2.08 O ATOM 1021 CB ARG A 382 109.989 6.754 -6.285 1.00 2.53 C ATOM 1022 CG ARG A 382 111.167 7.418 -6.998 1.00 2.69 C ATOM 1023 CD ARG A 382 112.242 7.788 -5.974 1.00 2.89 C ATOM 1024 NE ARG A 382 111.566 8.712 -5.022 1.00 3.36 N ATOM 1025 CZ ARG A 382 112.249 9.295 -4.072 1.00 3.67 C ATOM 1026 NH1 ARG A 382 113.530 9.071 -3.951 1.00 3.72 N ATOM 1027 NH2 ARG A 382 111.650 10.104 -3.242 1.00 4.25 N ATOM 0 H ARG A 382 109.032 7.034 -9.293 1.00 1.65 H new ATOM 0 HA ARG A 382 109.338 5.288 -7.767 1.00 1.74 H new ATOM 0 HB2 ARG A 382 109.496 7.472 -5.629 1.00 2.53 H new ATOM 0 HB3 ARG A 382 110.345 5.939 -5.655 1.00 2.53 H new ATOM 0 HG2 ARG A 382 111.580 6.742 -7.747 1.00 2.69 H new ATOM 0 HG3 ARG A 382 110.830 8.310 -7.526 1.00 2.69 H new ATOM 0 HD2 ARG A 382 112.621 6.903 -5.463 1.00 2.89 H new ATOM 0 HD3 ARG A 382 113.094 8.269 -6.453 1.00 2.89 H new ATOM 0 HE ARG A 382 110.566 8.891 -5.111 1.00 3.36 H new ATOM 0 HH11 ARG A 382 114.001 8.439 -4.599 1.00 3.72 H new ATOM 0 HH12 ARG A 382 114.060 9.528 -3.209 1.00 3.72 H new ATOM 0 HH21 ARG A 382 110.650 10.281 -3.335 1.00 4.25 H new ATOM 0 HH22 ARG A 382 112.182 10.559 -2.500 1.00 4.25 H new ATOM 1041 N MET A 383 106.632 5.652 -7.436 1.00 1.27 N ATOM 1042 CA MET A 383 105.284 5.476 -6.834 1.00 1.19 C ATOM 1043 C MET A 383 104.439 4.492 -7.641 1.00 1.07 C ATOM 1044 O MET A 383 104.447 4.490 -8.858 1.00 1.14 O ATOM 1045 CB MET A 383 104.653 6.867 -6.859 1.00 1.32 C ATOM 1046 CG MET A 383 105.468 7.810 -5.976 1.00 1.51 C ATOM 1047 SD MET A 383 104.632 9.411 -5.864 1.00 2.09 S ATOM 1048 CE MET A 383 103.311 8.900 -4.738 1.00 1.57 C ATOM 0 H MET A 383 106.682 5.527 -8.447 1.00 1.27 H new ATOM 0 HA MET A 383 105.347 5.067 -5.825 1.00 1.19 H new ATOM 0 HB2 MET A 383 104.620 7.245 -7.881 1.00 1.32 H new ATOM 0 HB3 MET A 383 103.624 6.818 -6.504 1.00 1.32 H new ATOM 0 HG2 MET A 383 105.588 7.381 -4.981 1.00 1.51 H new ATOM 0 HG3 MET A 383 106.468 7.939 -6.390 1.00 1.51 H new ATOM 0 HE1 MET A 383 102.352 8.956 -5.253 1.00 1.57 H new ATOM 0 HE2 MET A 383 103.488 7.876 -4.410 1.00 1.57 H new ATOM 0 HE3 MET A 383 103.296 9.561 -3.871 1.00 1.57 H new ATOM 1058 N SER A 384 103.613 3.757 -6.957 1.00 0.97 N ATOM 1059 CA SER A 384 102.628 2.870 -7.626 1.00 1.02 C ATOM 1060 C SER A 384 101.371 2.827 -6.763 1.00 0.93 C ATOM 1061 O SER A 384 101.367 3.323 -5.659 1.00 0.83 O ATOM 1062 CB SER A 384 103.297 1.500 -7.669 1.00 1.23 C ATOM 1063 OG SER A 384 103.222 0.901 -6.383 1.00 1.18 O ATOM 0 H SER A 384 103.579 3.734 -5.938 1.00 0.97 H new ATOM 0 HA SER A 384 102.347 3.203 -8.625 1.00 1.02 H new ATOM 0 HB2 SER A 384 102.806 0.866 -8.407 1.00 1.23 H new ATOM 0 HB3 SER A 384 104.338 1.600 -7.976 1.00 1.23 H new ATOM 0 HG SER A 384 104.081 0.482 -6.167 1.00 1.18 H new ATOM 1069 N GLY A 385 100.302 2.265 -7.237 1.00 1.02 N ATOM 1070 CA GLY A 385 99.074 2.243 -6.396 1.00 1.00 C ATOM 1071 C GLY A 385 97.966 1.477 -7.098 1.00 0.95 C ATOM 1072 O GLY A 385 98.176 0.791 -8.076 1.00 1.13 O ATOM 0 H GLY A 385 100.221 1.826 -8.154 1.00 1.02 H new ATOM 0 HA2 GLY A 385 99.292 1.779 -5.434 1.00 1.00 H new ATOM 0 HA3 GLY A 385 98.747 3.263 -6.192 1.00 1.00 H new ATOM 1076 N ILE A 386 96.782 1.613 -6.601 1.00 0.80 N ATOM 1077 CA ILE A 386 95.619 0.932 -7.211 1.00 0.78 C ATOM 1078 C ILE A 386 94.375 1.784 -6.992 1.00 0.77 C ATOM 1079 O ILE A 386 94.248 2.463 -5.997 1.00 0.80 O ATOM 1080 CB ILE A 386 95.513 -0.390 -6.463 1.00 0.81 C ATOM 1081 CG1 ILE A 386 94.173 -1.050 -6.762 1.00 0.86 C ATOM 1082 CG2 ILE A 386 95.618 -0.146 -4.960 1.00 0.84 C ATOM 1083 CD1 ILE A 386 94.120 -2.373 -6.011 1.00 1.26 C ATOM 0 H ILE A 386 96.564 2.179 -5.781 1.00 0.80 H new ATOM 0 HA ILE A 386 95.721 0.777 -8.285 1.00 0.78 H new ATOM 0 HB ILE A 386 96.324 -1.041 -6.788 1.00 0.81 H new ATOM 0 HG12 ILE A 386 93.352 -0.403 -6.452 1.00 0.86 H new ATOM 0 HG13 ILE A 386 94.061 -1.216 -7.833 1.00 0.86 H new ATOM 0 HG21 ILE A 386 95.541 -1.096 -4.431 1.00 0.84 H new ATOM 0 HG22 ILE A 386 96.577 0.319 -4.733 1.00 0.84 H new ATOM 0 HG23 ILE A 386 94.810 0.513 -4.641 1.00 0.84 H new ATOM 0 HD11 ILE A 386 93.168 -2.866 -6.209 1.00 1.26 H new ATOM 0 HD12 ILE A 386 94.937 -3.013 -6.344 1.00 1.26 H new ATOM 0 HD13 ILE A 386 94.217 -2.188 -4.941 1.00 1.26 H new ATOM 1095 N ASN A 387 93.443 1.723 -7.885 1.00 0.78 N ATOM 1096 CA ASN A 387 92.188 2.493 -7.692 1.00 0.83 C ATOM 1097 C ASN A 387 91.013 1.527 -7.717 1.00 0.92 C ATOM 1098 O ASN A 387 90.984 0.608 -8.500 1.00 0.86 O ATOM 1099 CB ASN A 387 92.109 3.451 -8.885 1.00 0.91 C ATOM 1100 CG ASN A 387 93.481 4.072 -9.140 1.00 1.31 C ATOM 1101 OD1 ASN A 387 93.836 4.348 -10.269 1.00 2.04 O ATOM 1102 ND2 ASN A 387 94.274 4.303 -8.135 1.00 1.81 N ATOM 0 H ASN A 387 93.491 1.174 -8.743 1.00 0.78 H new ATOM 0 HA ASN A 387 92.166 3.033 -6.746 1.00 0.83 H new ATOM 0 HB2 ASN A 387 91.771 2.915 -9.772 1.00 0.91 H new ATOM 0 HB3 ASN A 387 91.376 4.233 -8.687 1.00 0.91 H new ATOM 0 HD21 ASN A 387 95.193 4.716 -8.295 1.00 1.81 H new ATOM 0 HD22 ASN A 387 93.977 4.072 -7.187 1.00 1.81 H new ATOM 1109 N ILE A 388 90.010 1.756 -6.931 1.00 1.18 N ATOM 1110 CA ILE A 388 88.821 0.869 -7.015 1.00 1.31 C ATOM 1111 C ILE A 388 87.548 1.670 -6.769 1.00 1.70 C ATOM 1112 O ILE A 388 87.595 2.829 -6.410 1.00 1.89 O ATOM 1113 CB ILE A 388 89.029 -0.180 -5.933 1.00 1.24 C ATOM 1114 CG1 ILE A 388 87.841 -1.143 -5.919 1.00 1.66 C ATOM 1115 CG2 ILE A 388 89.140 0.512 -4.581 1.00 1.50 C ATOM 1116 CD1 ILE A 388 88.304 -2.506 -5.407 1.00 2.11 C ATOM 0 H ILE A 388 89.957 2.506 -6.242 1.00 1.18 H new ATOM 0 HA ILE A 388 88.713 0.411 -7.998 1.00 1.31 H new ATOM 0 HB ILE A 388 89.943 -0.739 -6.135 1.00 1.24 H new ATOM 0 HG12 ILE A 388 87.048 -0.752 -5.281 1.00 1.66 H new ATOM 0 HG13 ILE A 388 87.425 -1.240 -6.922 1.00 1.66 H new ATOM 0 HG21 ILE A 388 89.289 -0.235 -3.801 1.00 1.50 H new ATOM 0 HG22 ILE A 388 89.986 1.199 -4.592 1.00 1.50 H new ATOM 0 HG23 ILE A 388 88.224 1.068 -4.381 1.00 1.50 H new ATOM 0 HD11 ILE A 388 87.460 -3.196 -5.395 1.00 2.11 H new ATOM 0 HD12 ILE A 388 89.082 -2.896 -6.063 1.00 2.11 H new ATOM 0 HD13 ILE A 388 88.700 -2.400 -4.397 1.00 2.11 H new ATOM 1128 N ASP A 389 86.424 1.108 -7.104 1.00 1.97 N ATOM 1129 CA ASP A 389 85.151 1.884 -7.072 1.00 2.37 C ATOM 1130 C ASP A 389 84.754 2.356 -5.656 1.00 2.14 C ATOM 1131 O ASP A 389 83.712 2.956 -5.483 1.00 2.92 O ATOM 1132 CB ASP A 389 84.116 0.894 -7.591 1.00 2.65 C ATOM 1133 CG ASP A 389 84.323 0.675 -9.091 1.00 3.31 C ATOM 1134 OD1 ASP A 389 85.108 1.405 -9.674 1.00 3.63 O ATOM 1135 OD2 ASP A 389 83.694 -0.220 -9.631 1.00 3.85 O ATOM 0 H ASP A 389 86.329 0.137 -7.401 1.00 1.97 H new ATOM 0 HA ASP A 389 85.239 2.798 -7.659 1.00 2.37 H new ATOM 0 HB2 ASP A 389 84.205 -0.053 -7.059 1.00 2.65 H new ATOM 0 HB3 ASP A 389 83.111 1.271 -7.404 1.00 2.65 H new ATOM 1140 N ASN A 390 85.590 2.193 -4.665 1.00 1.20 N ATOM 1141 CA ASN A 390 85.250 2.754 -3.324 1.00 1.12 C ATOM 1142 C ASN A 390 86.505 3.258 -2.592 1.00 0.97 C ATOM 1143 O ASN A 390 86.449 3.592 -1.426 1.00 1.15 O ATOM 1144 CB ASN A 390 84.621 1.588 -2.559 1.00 1.13 C ATOM 1145 CG ASN A 390 83.898 2.120 -1.321 1.00 1.53 C ATOM 1146 OD1 ASN A 390 82.954 2.876 -1.434 1.00 2.33 O ATOM 1147 ND2 ASN A 390 84.302 1.753 -0.136 1.00 1.89 N ATOM 0 H ASN A 390 86.482 1.702 -4.723 1.00 1.20 H new ATOM 0 HA ASN A 390 84.581 3.611 -3.406 1.00 1.12 H new ATOM 0 HB2 ASN A 390 83.920 1.054 -3.201 1.00 1.13 H new ATOM 0 HB3 ASN A 390 85.391 0.875 -2.265 1.00 1.13 H new ATOM 0 HD21 ASN A 390 83.825 2.101 0.696 1.00 1.89 H new ATOM 0 HD22 ASN A 390 85.095 1.118 -0.041 1.00 1.89 H new ATOM 1154 N ARG A 391 87.656 3.202 -3.215 1.00 0.83 N ATOM 1155 CA ARG A 391 88.907 3.550 -2.480 1.00 0.73 C ATOM 1156 C ARG A 391 90.014 3.962 -3.451 1.00 0.74 C ATOM 1157 O ARG A 391 90.096 3.463 -4.553 1.00 1.10 O ATOM 1158 CB ARG A 391 89.309 2.269 -1.745 1.00 0.94 C ATOM 1159 CG ARG A 391 88.266 1.930 -0.678 1.00 1.05 C ATOM 1160 CD ARG A 391 88.781 0.782 0.193 1.00 1.30 C ATOM 1161 NE ARG A 391 87.625 0.404 1.053 1.00 1.92 N ATOM 1162 CZ ARG A 391 87.655 -0.704 1.747 1.00 2.13 C ATOM 1163 NH1 ARG A 391 88.699 -1.488 1.689 1.00 2.15 N ATOM 1164 NH2 ARG A 391 86.639 -1.027 2.498 1.00 2.69 N ATOM 0 H ARG A 391 87.782 2.933 -4.191 1.00 0.83 H new ATOM 0 HA ARG A 391 88.752 4.389 -1.802 1.00 0.73 H new ATOM 0 HB2 ARG A 391 89.397 1.446 -2.454 1.00 0.94 H new ATOM 0 HB3 ARG A 391 90.287 2.397 -1.282 1.00 0.94 H new ATOM 0 HG2 ARG A 391 88.063 2.806 -0.061 1.00 1.05 H new ATOM 0 HG3 ARG A 391 87.325 1.648 -1.151 1.00 1.05 H new ATOM 0 HD2 ARG A 391 89.111 -0.059 -0.417 1.00 1.30 H new ATOM 0 HD3 ARG A 391 89.635 1.095 0.794 1.00 1.30 H new ATOM 0 HE ARG A 391 86.807 1.012 1.101 1.00 1.92 H new ATOM 0 HH11 ARG A 391 89.494 -1.236 1.101 1.00 2.15 H new ATOM 0 HH12 ARG A 391 88.719 -2.351 2.232 1.00 2.15 H new ATOM 0 HH21 ARG A 391 85.823 -0.416 2.543 1.00 2.69 H new ATOM 0 HH22 ARG A 391 86.660 -1.891 3.040 1.00 2.69 H new ATOM 1178 N MET A 392 90.996 4.667 -2.962 1.00 0.48 N ATOM 1179 CA MET A 392 92.237 4.862 -3.763 1.00 0.51 C ATOM 1180 C MET A 392 93.453 4.520 -2.894 1.00 0.48 C ATOM 1181 O MET A 392 93.501 4.857 -1.728 1.00 0.52 O ATOM 1182 CB MET A 392 92.243 6.342 -4.148 1.00 0.59 C ATOM 1183 CG MET A 392 91.032 6.644 -5.033 1.00 1.14 C ATOM 1184 SD MET A 392 91.139 8.345 -5.641 1.00 1.31 S ATOM 1185 CE MET A 392 91.145 9.163 -4.028 1.00 2.02 C ATOM 0 H MET A 392 90.993 5.115 -2.046 1.00 0.48 H new ATOM 0 HA MET A 392 92.274 4.226 -4.647 1.00 0.51 H new ATOM 0 HB2 MET A 392 92.216 6.962 -3.252 1.00 0.59 H new ATOM 0 HB3 MET A 392 93.164 6.587 -4.677 1.00 0.59 H new ATOM 0 HG2 MET A 392 90.998 5.948 -5.871 1.00 1.14 H new ATOM 0 HG3 MET A 392 90.111 6.506 -4.467 1.00 1.14 H new ATOM 0 HE1 MET A 392 90.519 10.054 -4.070 1.00 2.02 H new ATOM 0 HE2 MET A 392 90.755 8.481 -3.273 1.00 2.02 H new ATOM 0 HE3 MET A 392 92.165 9.447 -3.768 1.00 2.02 H new ATOM 1195 N ILE A 393 94.449 3.880 -3.447 1.00 0.45 N ATOM 1196 CA ILE A 393 95.658 3.560 -2.634 1.00 0.45 C ATOM 1197 C ILE A 393 96.921 3.966 -3.393 1.00 0.50 C ATOM 1198 O ILE A 393 97.059 3.690 -4.565 1.00 0.60 O ATOM 1199 CB ILE A 393 95.613 2.046 -2.427 1.00 0.43 C ATOM 1200 CG1 ILE A 393 94.238 1.646 -1.886 1.00 1.21 C ATOM 1201 CG2 ILE A 393 96.696 1.638 -1.424 1.00 0.98 C ATOM 1202 CD1 ILE A 393 94.082 2.159 -0.454 1.00 1.68 C ATOM 0 H ILE A 393 94.478 3.567 -4.418 1.00 0.45 H new ATOM 0 HA ILE A 393 95.672 4.095 -1.684 1.00 0.45 H new ATOM 0 HB ILE A 393 95.789 1.542 -3.377 1.00 0.43 H new ATOM 0 HG12 ILE A 393 93.453 2.059 -2.519 1.00 1.21 H new ATOM 0 HG13 ILE A 393 94.128 0.562 -1.909 1.00 1.21 H new ATOM 0 HG21 ILE A 393 96.666 0.559 -1.275 1.00 0.98 H new ATOM 0 HG22 ILE A 393 97.675 1.924 -1.809 1.00 0.98 H new ATOM 0 HG23 ILE A 393 96.519 2.141 -0.473 1.00 0.98 H new ATOM 0 HD11 ILE A 393 93.103 1.874 -0.070 1.00 1.68 H new ATOM 0 HD12 ILE A 393 94.859 1.724 0.175 1.00 1.68 H new ATOM 0 HD13 ILE A 393 94.173 3.245 -0.445 1.00 1.68 H new ATOM 1214 N ARG A 394 97.879 4.537 -2.717 1.00 0.63 N ATOM 1215 CA ARG A 394 99.166 4.861 -3.394 1.00 0.72 C ATOM 1216 C ARG A 394 100.343 4.619 -2.446 1.00 0.60 C ATOM 1217 O ARG A 394 100.268 4.881 -1.266 1.00 0.54 O ATOM 1218 CB ARG A 394 99.067 6.340 -3.764 1.00 0.78 C ATOM 1219 CG ARG A 394 100.184 6.696 -4.748 1.00 1.27 C ATOM 1220 CD ARG A 394 99.896 6.041 -6.101 1.00 1.04 C ATOM 1221 NE ARG A 394 101.055 6.407 -6.962 1.00 1.47 N ATOM 1222 CZ ARG A 394 101.126 7.595 -7.501 1.00 1.92 C ATOM 1223 NH1 ARG A 394 100.189 8.477 -7.278 1.00 2.78 N ATOM 1224 NH2 ARG A 394 102.140 7.903 -8.264 1.00 2.09 N ATOM 0 H ARG A 394 97.827 4.792 -1.731 1.00 0.63 H new ATOM 0 HA ARG A 394 99.334 4.236 -4.271 1.00 0.72 H new ATOM 0 HB2 ARG A 394 98.095 6.550 -4.210 1.00 0.78 H new ATOM 0 HB3 ARG A 394 99.147 6.956 -2.868 1.00 0.78 H new ATOM 0 HG2 ARG A 394 100.252 7.778 -4.862 1.00 1.27 H new ATOM 0 HG3 ARG A 394 101.145 6.355 -4.363 1.00 1.27 H new ATOM 0 HD2 ARG A 394 99.803 4.959 -6.004 1.00 1.04 H new ATOM 0 HD3 ARG A 394 98.960 6.405 -6.524 1.00 1.04 H new ATOM 0 HE ARG A 394 101.796 5.727 -7.132 1.00 1.47 H new ATOM 0 HH11 ARG A 394 99.397 8.240 -6.681 1.00 2.78 H new ATOM 0 HH12 ARG A 394 100.249 9.403 -7.701 1.00 2.78 H new ATOM 0 HH21 ARG A 394 102.874 7.217 -8.438 1.00 2.09 H new ATOM 0 HH22 ARG A 394 102.198 8.830 -8.686 1.00 2.09 H new ATOM 1238 N LYS A 395 101.439 4.156 -2.971 1.00 0.63 N ATOM 1239 CA LYS A 395 102.650 3.928 -2.132 1.00 0.58 C ATOM 1240 C LYS A 395 103.899 4.286 -2.939 1.00 0.60 C ATOM 1241 O LYS A 395 103.943 4.097 -4.133 1.00 0.68 O ATOM 1242 CB LYS A 395 102.636 2.435 -1.813 1.00 0.72 C ATOM 1243 CG LYS A 395 103.697 2.121 -0.759 1.00 0.80 C ATOM 1244 CD LYS A 395 105.009 1.762 -1.456 1.00 1.11 C ATOM 1245 CE LYS A 395 104.808 0.496 -2.291 1.00 1.15 C ATOM 1246 NZ LYS A 395 106.147 -0.147 -2.333 1.00 1.57 N ATOM 0 H LYS A 395 101.551 3.922 -3.957 1.00 0.63 H new ATOM 0 HA LYS A 395 102.655 4.535 -1.227 1.00 0.58 H new ATOM 0 HB2 LYS A 395 101.651 2.141 -1.450 1.00 0.72 H new ATOM 0 HB3 LYS A 395 102.828 1.859 -2.718 1.00 0.72 H new ATOM 0 HG2 LYS A 395 103.842 2.981 -0.105 1.00 0.80 H new ATOM 0 HG3 LYS A 395 103.368 1.294 -0.130 1.00 0.80 H new ATOM 0 HD2 LYS A 395 105.332 2.585 -2.094 1.00 1.11 H new ATOM 0 HD3 LYS A 395 105.795 1.603 -0.718 1.00 1.11 H new ATOM 0 HE2 LYS A 395 104.067 -0.163 -1.839 1.00 1.15 H new ATOM 0 HE3 LYS A 395 104.452 0.735 -3.293 1.00 1.15 H new ATOM 0 HZ1 LYS A 395 106.101 -1.006 -2.917 1.00 1.57 H new ATOM 0 HZ2 LYS A 395 106.837 0.514 -2.743 1.00 1.57 H new ATOM 0 HZ3 LYS A 395 106.441 -0.400 -1.368 1.00 1.57 H new ATOM 1260 N GLY A 396 104.898 4.829 -2.309 1.00 0.56 N ATOM 1261 CA GLY A 396 106.118 5.225 -3.074 1.00 0.60 C ATOM 1262 C GLY A 396 107.165 5.812 -2.130 1.00 0.55 C ATOM 1263 O GLY A 396 107.178 5.530 -0.950 1.00 0.82 O ATOM 0 H GLY A 396 104.928 5.016 -1.307 1.00 0.56 H new ATOM 0 HA2 GLY A 396 106.529 4.358 -3.591 1.00 0.60 H new ATOM 0 HA3 GLY A 396 105.855 5.957 -3.838 1.00 0.60 H new ATOM 1267 N SER A 397 108.060 6.613 -2.649 1.00 0.50 N ATOM 1268 CA SER A 397 109.122 7.196 -1.783 1.00 0.60 C ATOM 1269 C SER A 397 108.518 8.205 -0.807 1.00 0.48 C ATOM 1270 O SER A 397 107.433 8.712 -1.012 1.00 0.61 O ATOM 1271 CB SER A 397 110.110 7.870 -2.737 1.00 0.91 C ATOM 1272 OG SER A 397 110.516 6.935 -3.730 1.00 1.17 O ATOM 0 H SER A 397 108.100 6.886 -3.631 1.00 0.50 H new ATOM 0 HA SER A 397 109.617 6.437 -1.177 1.00 0.60 H new ATOM 0 HB2 SER A 397 109.646 8.738 -3.206 1.00 0.91 H new ATOM 0 HB3 SER A 397 110.978 8.232 -2.185 1.00 0.91 H new ATOM 0 HG SER A 397 111.454 6.691 -3.585 1.00 1.17 H new ATOM 1278 N VAL A 398 109.179 8.447 0.290 1.00 0.53 N ATOM 1279 CA VAL A 398 108.598 9.359 1.314 1.00 0.47 C ATOM 1280 C VAL A 398 108.371 10.743 0.713 1.00 0.51 C ATOM 1281 O VAL A 398 107.274 11.260 0.728 1.00 0.51 O ATOM 1282 CB VAL A 398 109.640 9.420 2.427 1.00 0.46 C ATOM 1283 CG1 VAL A 398 109.156 10.372 3.521 1.00 0.50 C ATOM 1284 CG2 VAL A 398 109.836 8.021 3.011 1.00 0.51 C ATOM 0 H VAL A 398 110.092 8.055 0.521 1.00 0.53 H new ATOM 0 HA VAL A 398 107.633 9.010 1.682 1.00 0.47 H new ATOM 0 HB VAL A 398 110.587 9.781 2.027 1.00 0.46 H new ATOM 0 HG11 VAL A 398 109.898 10.418 4.318 1.00 0.50 H new ATOM 0 HG12 VAL A 398 109.013 11.367 3.100 1.00 0.50 H new ATOM 0 HG13 VAL A 398 108.211 10.010 3.926 1.00 0.50 H new ATOM 0 HG21 VAL A 398 110.580 8.060 3.807 1.00 0.51 H new ATOM 0 HG22 VAL A 398 108.890 7.660 3.415 1.00 0.51 H new ATOM 0 HG23 VAL A 398 110.178 7.344 2.228 1.00 0.51 H new ATOM 1294 N ASP A 399 109.356 11.280 0.051 1.00 0.55 N ATOM 1295 CA ASP A 399 109.131 12.547 -0.693 1.00 0.62 C ATOM 1296 C ASP A 399 108.054 12.319 -1.751 1.00 0.64 C ATOM 1297 O ASP A 399 107.220 13.164 -2.004 1.00 0.64 O ATOM 1298 CB ASP A 399 110.474 12.867 -1.351 1.00 0.71 C ATOM 1299 CG ASP A 399 111.506 13.198 -0.272 1.00 1.10 C ATOM 1300 OD1 ASP A 399 111.105 13.396 0.863 1.00 1.59 O ATOM 1301 OD2 ASP A 399 112.680 13.248 -0.598 1.00 1.46 O ATOM 0 H ASP A 399 110.300 10.899 -0.007 1.00 0.55 H new ATOM 0 HA ASP A 399 108.797 13.363 -0.052 1.00 0.62 H new ATOM 0 HB2 ASP A 399 110.812 12.017 -1.944 1.00 0.71 H new ATOM 0 HB3 ASP A 399 110.364 13.709 -2.035 1.00 0.71 H new ATOM 1306 N ALA A 400 108.065 11.168 -2.361 1.00 0.70 N ATOM 1307 CA ALA A 400 107.046 10.862 -3.401 1.00 0.76 C ATOM 1308 C ALA A 400 105.634 10.894 -2.803 1.00 0.72 C ATOM 1309 O ALA A 400 104.734 11.493 -3.356 1.00 0.75 O ATOM 1310 CB ALA A 400 107.399 9.452 -3.880 1.00 0.85 C ATOM 0 H ALA A 400 108.739 10.423 -2.183 1.00 0.70 H new ATOM 0 HA ALA A 400 107.051 11.589 -4.213 1.00 0.76 H new ATOM 0 HB1 ALA A 400 106.695 9.143 -4.653 1.00 0.85 H new ATOM 0 HB2 ALA A 400 108.410 9.449 -4.288 1.00 0.85 H new ATOM 0 HB3 ALA A 400 107.344 8.758 -3.041 1.00 0.85 H new ATOM 1316 N ILE A 401 105.417 10.239 -1.694 1.00 0.67 N ATOM 1317 CA ILE A 401 104.045 10.228 -1.108 1.00 0.66 C ATOM 1318 C ILE A 401 103.635 11.630 -0.652 1.00 0.59 C ATOM 1319 O ILE A 401 102.515 12.049 -0.850 1.00 0.64 O ATOM 1320 CB ILE A 401 104.121 9.269 0.079 1.00 0.64 C ATOM 1321 CG1 ILE A 401 104.500 7.869 -0.417 1.00 0.81 C ATOM 1322 CG2 ILE A 401 102.761 9.211 0.776 1.00 0.68 C ATOM 1323 CD1 ILE A 401 103.649 7.504 -1.637 1.00 0.62 C ATOM 0 H ILE A 401 106.121 9.717 -1.173 1.00 0.67 H new ATOM 0 HA ILE A 401 103.297 9.912 -1.835 1.00 0.66 H new ATOM 0 HB ILE A 401 104.875 9.622 0.782 1.00 0.64 H new ATOM 0 HG12 ILE A 401 105.558 7.839 -0.678 1.00 0.81 H new ATOM 0 HG13 ILE A 401 104.347 7.138 0.377 1.00 0.81 H new ATOM 0 HG21 ILE A 401 102.815 8.527 1.623 1.00 0.68 H new ATOM 0 HG22 ILE A 401 102.491 10.206 1.130 1.00 0.68 H new ATOM 0 HG23 ILE A 401 102.006 8.859 0.073 1.00 0.68 H new ATOM 0 HD11 ILE A 401 103.922 6.508 -1.986 1.00 0.62 H new ATOM 0 HD12 ILE A 401 102.594 7.516 -1.362 1.00 0.62 H new ATOM 0 HD13 ILE A 401 103.824 8.228 -2.433 1.00 0.62 H new ATOM 1335 N ARG A 402 104.538 12.379 -0.086 1.00 0.50 N ATOM 1336 CA ARG A 402 104.190 13.769 0.324 1.00 0.47 C ATOM 1337 C ARG A 402 103.703 14.569 -0.890 1.00 0.54 C ATOM 1338 O ARG A 402 102.743 15.308 -0.813 1.00 0.62 O ATOM 1339 CB ARG A 402 105.489 14.360 0.873 1.00 0.44 C ATOM 1340 CG ARG A 402 105.217 15.756 1.437 1.00 1.17 C ATOM 1341 CD ARG A 402 106.526 16.366 1.944 1.00 1.24 C ATOM 1342 NE ARG A 402 106.129 17.654 2.579 1.00 1.71 N ATOM 1343 CZ ARG A 402 106.921 18.236 3.439 1.00 2.17 C ATOM 1344 NH1 ARG A 402 108.068 17.693 3.749 1.00 2.62 N ATOM 1345 NH2 ARG A 402 106.566 19.364 3.990 1.00 2.61 N ATOM 0 H ARG A 402 105.497 12.092 0.110 1.00 0.50 H new ATOM 0 HA ARG A 402 103.390 13.794 1.064 1.00 0.47 H new ATOM 0 HB2 ARG A 402 105.894 13.714 1.652 1.00 0.44 H new ATOM 0 HB3 ARG A 402 106.238 14.415 0.083 1.00 0.44 H new ATOM 0 HG2 ARG A 402 104.781 16.392 0.667 1.00 1.17 H new ATOM 0 HG3 ARG A 402 104.492 15.697 2.249 1.00 1.17 H new ATOM 0 HD2 ARG A 402 107.017 15.707 2.660 1.00 1.24 H new ATOM 0 HD3 ARG A 402 107.229 16.529 1.127 1.00 1.24 H new ATOM 0 HE ARG A 402 105.235 18.083 2.341 1.00 1.71 H new ATOM 0 HH11 ARG A 402 108.348 16.811 3.319 1.00 2.62 H new ATOM 0 HH12 ARG A 402 108.684 18.151 4.421 1.00 2.62 H new ATOM 0 HH21 ARG A 402 105.671 19.790 3.749 1.00 2.61 H new ATOM 0 HH22 ARG A 402 107.183 19.820 4.662 1.00 2.61 H new ATOM 1359 N ARG A 403 104.332 14.395 -2.020 1.00 0.54 N ATOM 1360 CA ARG A 403 103.876 15.115 -3.247 1.00 0.62 C ATOM 1361 C ARG A 403 102.487 14.628 -3.673 1.00 0.72 C ATOM 1362 O ARG A 403 101.640 15.406 -4.066 1.00 0.82 O ATOM 1363 CB ARG A 403 104.914 14.767 -4.315 1.00 0.63 C ATOM 1364 CG ARG A 403 106.290 15.273 -3.878 1.00 0.83 C ATOM 1365 CD ARG A 403 106.306 16.801 -3.912 1.00 0.96 C ATOM 1366 NE ARG A 403 107.708 17.179 -3.580 1.00 1.38 N ATOM 1367 CZ ARG A 403 108.008 18.422 -3.309 1.00 2.01 C ATOM 1368 NH1 ARG A 403 107.081 19.342 -3.327 1.00 2.48 N ATOM 1369 NH2 ARG A 403 109.239 18.745 -3.019 1.00 2.46 N ATOM 0 H ARG A 403 105.141 13.787 -2.149 1.00 0.54 H new ATOM 0 HA ARG A 403 103.795 16.190 -3.085 1.00 0.62 H new ATOM 0 HB2 ARG A 403 104.944 13.688 -4.469 1.00 0.63 H new ATOM 0 HB3 ARG A 403 104.635 15.218 -5.268 1.00 0.63 H new ATOM 0 HG2 ARG A 403 106.517 14.919 -2.872 1.00 0.83 H new ATOM 0 HG3 ARG A 403 107.062 14.876 -4.538 1.00 0.83 H new ATOM 0 HD2 ARG A 403 106.018 17.177 -4.894 1.00 0.96 H new ATOM 0 HD3 ARG A 403 105.603 17.219 -3.191 1.00 0.96 H new ATOM 0 HE ARG A 403 108.437 16.465 -3.564 1.00 1.38 H new ATOM 0 HH11 ARG A 403 106.118 19.092 -3.553 1.00 2.48 H new ATOM 0 HH12 ARG A 403 107.320 20.311 -3.115 1.00 2.48 H new ATOM 0 HH21 ARG A 403 109.964 18.028 -3.004 1.00 2.46 H new ATOM 0 HH22 ARG A 403 109.476 19.714 -2.807 1.00 2.46 H new ATOM 1383 N HIS A 404 102.232 13.355 -3.564 1.00 0.74 N ATOM 1384 CA HIS A 404 100.885 12.831 -3.931 1.00 0.86 C ATOM 1385 C HIS A 404 99.811 13.389 -2.990 1.00 0.84 C ATOM 1386 O HIS A 404 98.734 13.761 -3.414 1.00 0.94 O ATOM 1387 CB HIS A 404 101.000 11.314 -3.787 1.00 0.92 C ATOM 1388 CG HIS A 404 99.690 10.673 -4.155 1.00 1.32 C ATOM 1389 ND1 HIS A 404 98.757 10.297 -3.201 1.00 1.39 N ATOM 1390 CD2 HIS A 404 99.143 10.337 -5.368 1.00 2.29 C ATOM 1391 CE1 HIS A 404 97.707 9.761 -3.850 1.00 1.88 C ATOM 1392 NE2 HIS A 404 97.890 9.760 -5.173 1.00 2.43 N ATOM 0 H HIS A 404 102.897 12.654 -3.237 1.00 0.74 H new ATOM 0 HA HIS A 404 100.591 13.124 -4.939 1.00 0.86 H new ATOM 0 HB2 HIS A 404 101.795 10.936 -4.430 1.00 0.92 H new ATOM 0 HB3 HIS A 404 101.269 11.055 -2.763 1.00 0.92 H new ATOM 0 HD2 HIS A 404 99.612 10.496 -6.328 1.00 2.29 H new ATOM 0 HE1 HIS A 404 96.824 9.378 -3.361 1.00 1.88 H new ATOM 0 HE2 HIS A 404 97.250 9.412 -5.887 1.00 2.43 H new ATOM 1400 N VAL A 405 100.105 13.493 -1.726 1.00 0.76 N ATOM 1401 CA VAL A 405 99.109 14.074 -0.780 1.00 0.79 C ATOM 1402 C VAL A 405 98.845 15.543 -1.119 1.00 0.85 C ATOM 1403 O VAL A 405 97.719 15.991 -1.123 1.00 0.94 O ATOM 1404 CB VAL A 405 99.747 13.942 0.602 1.00 0.76 C ATOM 1405 CG1 VAL A 405 98.869 14.644 1.639 1.00 0.80 C ATOM 1406 CG2 VAL A 405 99.878 12.461 0.964 1.00 0.76 C ATOM 0 H VAL A 405 100.988 13.203 -1.306 1.00 0.76 H new ATOM 0 HA VAL A 405 98.147 13.564 -0.831 1.00 0.79 H new ATOM 0 HB VAL A 405 100.735 14.403 0.591 1.00 0.76 H new ATOM 0 HG11 VAL A 405 99.324 14.550 2.625 1.00 0.80 H new ATOM 0 HG12 VAL A 405 98.775 15.699 1.382 1.00 0.80 H new ATOM 0 HG13 VAL A 405 97.881 14.184 1.650 1.00 0.80 H new ATOM 0 HG21 VAL A 405 100.333 12.366 1.950 1.00 0.76 H new ATOM 0 HG22 VAL A 405 98.890 12.000 0.975 1.00 0.76 H new ATOM 0 HG23 VAL A 405 100.504 11.960 0.226 1.00 0.76 H new ATOM 1416 N GLU A 406 99.869 16.308 -1.370 1.00 0.84 N ATOM 1417 CA GLU A 406 99.657 17.755 -1.662 1.00 0.95 C ATOM 1418 C GLU A 406 98.822 17.934 -2.936 1.00 1.05 C ATOM 1419 O GLU A 406 98.003 18.827 -3.028 1.00 1.19 O ATOM 1420 CB GLU A 406 101.059 18.331 -1.853 1.00 0.91 C ATOM 1421 CG GLU A 406 101.837 18.229 -0.540 1.00 0.88 C ATOM 1422 CD GLU A 406 103.217 18.867 -0.711 1.00 1.43 C ATOM 1423 OE1 GLU A 406 103.561 19.191 -1.836 1.00 2.16 O ATOM 1424 OE2 GLU A 406 103.904 19.021 0.284 1.00 1.86 O ATOM 0 H GLU A 406 100.840 15.997 -1.386 1.00 0.84 H new ATOM 0 HA GLU A 406 99.114 18.257 -0.861 1.00 0.95 H new ATOM 0 HB2 GLU A 406 101.582 17.789 -2.641 1.00 0.91 H new ATOM 0 HB3 GLU A 406 100.996 19.372 -2.170 1.00 0.91 H new ATOM 0 HG2 GLU A 406 101.290 18.730 0.259 1.00 0.88 H new ATOM 0 HG3 GLU A 406 101.942 17.184 -0.248 1.00 0.88 H new ATOM 1431 N ALA A 407 99.013 17.092 -3.916 1.00 1.02 N ATOM 1432 CA ALA A 407 98.215 17.222 -5.171 1.00 1.17 C ATOM 1433 C ALA A 407 96.741 16.949 -4.876 1.00 1.32 C ATOM 1434 O ALA A 407 95.871 17.711 -5.246 1.00 1.53 O ATOM 1435 CB ALA A 407 98.781 16.159 -6.113 1.00 1.12 C ATOM 0 H ALA A 407 99.683 16.323 -3.903 1.00 1.02 H new ATOM 0 HA ALA A 407 98.277 18.220 -5.605 1.00 1.17 H new ATOM 0 HB1 ALA A 407 98.245 16.191 -7.061 1.00 1.12 H new ATOM 0 HB2 ALA A 407 99.839 16.354 -6.288 1.00 1.12 H new ATOM 0 HB3 ALA A 407 98.663 15.174 -5.662 1.00 1.12 H new ATOM 1441 N ASN A 408 96.478 15.959 -4.072 1.00 1.23 N ATOM 1442 CA ASN A 408 95.092 15.737 -3.584 1.00 1.37 C ATOM 1443 C ASN A 408 94.684 16.903 -2.689 1.00 1.44 C ATOM 1444 O ASN A 408 93.516 17.178 -2.493 1.00 1.60 O ATOM 1445 CB ASN A 408 95.174 14.442 -2.780 1.00 1.27 C ATOM 1446 CG ASN A 408 95.371 13.261 -3.732 1.00 1.88 C ATOM 1447 OD1 ASN A 408 96.183 12.393 -3.481 1.00 2.75 O ATOM 1448 ND2 ASN A 408 94.657 13.192 -4.822 1.00 2.02 N ATOM 0 H ASN A 408 97.168 15.290 -3.730 1.00 1.23 H new ATOM 0 HA ASN A 408 94.357 15.670 -4.386 1.00 1.37 H new ATOM 0 HB2 ASN A 408 96.001 14.493 -2.071 1.00 1.27 H new ATOM 0 HB3 ASN A 408 94.263 14.305 -2.197 1.00 1.27 H new ATOM 0 HD21 ASN A 408 94.780 12.409 -5.464 1.00 2.02 H new ATOM 0 HD22 ASN A 408 93.975 13.921 -5.032 1.00 2.02 H new ATOM 1455 N GLY A 409 95.647 17.527 -2.075 1.00 1.37 N ATOM 1456 CA GLY A 409 95.344 18.606 -1.104 1.00 1.51 C ATOM 1457 C GLY A 409 95.345 18.025 0.310 1.00 1.69 C ATOM 1458 O GLY A 409 94.767 18.581 1.224 1.00 2.28 O ATOM 0 H GLY A 409 96.640 17.332 -2.207 1.00 1.37 H new ATOM 0 HA2 GLY A 409 96.085 19.402 -1.184 1.00 1.51 H new ATOM 0 HA3 GLY A 409 94.374 19.050 -1.327 1.00 1.51 H new ATOM 1462 N GLY A 410 96.014 16.920 0.501 1.00 1.39 N ATOM 1463 CA GLY A 410 96.086 16.310 1.859 1.00 1.72 C ATOM 1464 C GLY A 410 97.340 16.811 2.578 1.00 1.26 C ATOM 1465 O GLY A 410 98.042 17.674 2.091 1.00 1.69 O ATOM 0 H GLY A 410 96.515 16.412 -0.228 1.00 1.39 H new ATOM 0 HA2 GLY A 410 95.197 16.569 2.433 1.00 1.72 H new ATOM 0 HA3 GLY A 410 96.109 15.223 1.780 1.00 1.72 H new ATOM 1469 N HIS A 411 97.653 16.241 3.709 1.00 0.88 N ATOM 1470 CA HIS A 411 98.897 16.648 4.427 1.00 1.32 C ATOM 1471 C HIS A 411 99.610 15.417 4.993 1.00 1.27 C ATOM 1472 O HIS A 411 98.993 14.418 5.303 1.00 1.52 O ATOM 1473 CB HIS A 411 98.422 17.564 5.557 1.00 1.83 C ATOM 1474 CG HIS A 411 97.798 18.801 4.971 1.00 2.66 C ATOM 1475 ND1 HIS A 411 96.440 18.889 4.707 1.00 3.39 N ATOM 1476 CD2 HIS A 411 98.333 20.008 4.596 1.00 3.34 C ATOM 1477 CE1 HIS A 411 96.207 20.111 4.194 1.00 4.16 C ATOM 1478 NE2 HIS A 411 97.326 20.833 4.104 1.00 4.13 N ATOM 0 H HIS A 411 97.104 15.513 4.167 1.00 0.88 H new ATOM 0 HA HIS A 411 99.608 17.149 3.770 1.00 1.32 H new ATOM 0 HB2 HIS A 411 97.700 17.041 6.184 1.00 1.83 H new ATOM 0 HB3 HIS A 411 99.262 17.835 6.197 1.00 1.83 H new ATOM 0 HD2 HIS A 411 99.376 20.277 4.671 1.00 3.34 H new ATOM 0 HE1 HIS A 411 95.232 20.465 3.892 1.00 4.16 H new ATOM 0 HE2 HIS A 411 97.422 21.785 3.751 1.00 4.13 H new ATOM 1486 N PHE A 412 100.905 15.487 5.144 1.00 1.04 N ATOM 1487 CA PHE A 412 101.656 14.328 5.706 1.00 1.06 C ATOM 1488 C PHE A 412 101.797 14.480 7.225 1.00 1.03 C ATOM 1489 O PHE A 412 102.490 15.359 7.699 1.00 1.05 O ATOM 1490 CB PHE A 412 103.027 14.386 5.029 1.00 1.03 C ATOM 1491 CG PHE A 412 103.585 12.990 4.893 1.00 1.36 C ATOM 1492 CD1 PHE A 412 104.146 12.345 6.004 1.00 1.90 C ATOM 1493 CD2 PHE A 412 103.543 12.338 3.652 1.00 1.73 C ATOM 1494 CE1 PHE A 412 104.665 11.050 5.876 1.00 2.91 C ATOM 1495 CE2 PHE A 412 104.062 11.043 3.523 1.00 2.70 C ATOM 1496 CZ PHE A 412 104.623 10.398 4.634 1.00 3.31 C ATOM 0 H PHE A 412 101.476 16.297 4.902 1.00 1.04 H new ATOM 0 HA PHE A 412 101.153 13.378 5.528 1.00 1.06 H new ATOM 0 HB2 PHE A 412 102.939 14.851 4.047 1.00 1.03 H new ATOM 0 HB3 PHE A 412 103.707 15.005 5.615 1.00 1.03 H new ATOM 0 HD1 PHE A 412 104.178 12.847 6.960 1.00 1.90 H new ATOM 0 HD2 PHE A 412 103.111 12.834 2.796 1.00 1.73 H new ATOM 0 HE1 PHE A 412 105.097 10.554 6.732 1.00 2.91 H new ATOM 0 HE2 PHE A 412 104.030 10.541 2.567 1.00 2.70 H new ATOM 0 HZ PHE A 412 105.023 9.400 4.534 1.00 3.31 H new ATOM 1506 N PRO A 413 101.099 13.637 7.940 1.00 1.03 N ATOM 1507 CA PRO A 413 101.107 13.702 9.424 1.00 1.06 C ATOM 1508 C PRO A 413 102.532 13.545 9.963 1.00 0.96 C ATOM 1509 O PRO A 413 103.321 12.780 9.446 1.00 0.88 O ATOM 1510 CB PRO A 413 100.235 12.522 9.856 1.00 1.16 C ATOM 1511 CG PRO A 413 99.448 12.136 8.642 1.00 1.23 C ATOM 1512 CD PRO A 413 100.246 12.557 7.438 1.00 1.05 C ATOM 0 HA PRO A 413 100.738 14.655 9.803 1.00 1.06 H new ATOM 0 HB2 PRO A 413 100.847 11.691 10.207 1.00 1.16 H new ATOM 0 HB3 PRO A 413 99.576 12.802 10.678 1.00 1.16 H new ATOM 0 HG2 PRO A 413 99.268 11.061 8.627 1.00 1.23 H new ATOM 0 HG3 PRO A 413 98.473 12.623 8.646 1.00 1.23 H new ATOM 0 HD2 PRO A 413 100.838 11.732 7.043 1.00 1.05 H new ATOM 0 HD3 PRO A 413 99.600 12.901 6.631 1.00 1.05 H new ATOM 1520 N THR A 414 102.868 14.267 10.999 1.00 1.01 N ATOM 1521 CA THR A 414 104.243 14.160 11.568 1.00 0.97 C ATOM 1522 C THR A 414 104.523 12.723 12.017 1.00 0.92 C ATOM 1523 O THR A 414 105.597 12.200 11.813 1.00 0.84 O ATOM 1524 CB THR A 414 104.252 15.120 12.766 1.00 1.09 C ATOM 1525 OG1 THR A 414 105.596 15.450 13.090 1.00 1.63 O ATOM 1526 CG2 THR A 414 103.583 14.462 13.978 1.00 1.75 C ATOM 0 H THR A 414 102.251 14.925 11.475 1.00 1.01 H new ATOM 0 HA THR A 414 105.014 14.414 10.840 1.00 0.97 H new ATOM 0 HB THR A 414 103.700 16.023 12.504 1.00 1.09 H new ATOM 0 HG1 THR A 414 105.607 16.064 13.853 1.00 1.63 H new ATOM 0 HG21 THR A 414 103.596 15.153 14.821 1.00 1.75 H new ATOM 0 HG22 THR A 414 102.552 14.209 13.732 1.00 1.75 H new ATOM 0 HG23 THR A 414 104.125 13.555 14.245 1.00 1.75 H new ATOM 1534 N ASP A 415 103.580 12.097 12.664 1.00 0.99 N ATOM 1535 CA ASP A 415 103.817 10.714 13.168 1.00 0.97 C ATOM 1536 C ASP A 415 104.224 9.794 12.016 1.00 0.83 C ATOM 1537 O ASP A 415 105.078 8.947 12.156 1.00 0.84 O ATOM 1538 CB ASP A 415 102.482 10.274 13.766 1.00 1.08 C ATOM 1539 CG ASP A 415 102.185 11.101 15.018 1.00 1.27 C ATOM 1540 OD1 ASP A 415 103.083 11.785 15.479 1.00 1.87 O ATOM 1541 OD2 ASP A 415 101.064 11.036 15.494 1.00 1.80 O ATOM 0 H ASP A 415 102.657 12.481 12.866 1.00 0.99 H new ATOM 0 HA ASP A 415 104.622 10.674 13.902 1.00 0.97 H new ATOM 0 HB2 ASP A 415 101.684 10.403 13.035 1.00 1.08 H new ATOM 0 HB3 ASP A 415 102.516 9.214 14.017 1.00 1.08 H new ATOM 1546 N VAL A 416 103.662 9.980 10.859 1.00 0.71 N ATOM 1547 CA VAL A 416 104.085 9.143 9.705 1.00 0.60 C ATOM 1548 C VAL A 416 105.505 9.517 9.272 1.00 0.51 C ATOM 1549 O VAL A 416 106.303 8.666 8.939 1.00 0.46 O ATOM 1550 CB VAL A 416 103.076 9.455 8.602 1.00 0.58 C ATOM 1551 CG1 VAL A 416 103.529 8.815 7.287 1.00 0.51 C ATOM 1552 CG2 VAL A 416 101.708 8.894 8.996 1.00 0.71 C ATOM 0 H VAL A 416 102.935 10.668 10.662 1.00 0.71 H new ATOM 0 HA VAL A 416 104.104 8.080 9.946 1.00 0.60 H new ATOM 0 HB VAL A 416 103.008 10.535 8.470 1.00 0.58 H new ATOM 0 HG11 VAL A 416 102.805 9.041 6.504 1.00 0.51 H new ATOM 0 HG12 VAL A 416 104.504 9.213 7.006 1.00 0.51 H new ATOM 0 HG13 VAL A 416 103.601 7.735 7.414 1.00 0.51 H new ATOM 0 HG21 VAL A 416 100.985 9.115 8.211 1.00 0.71 H new ATOM 0 HG22 VAL A 416 101.782 7.815 9.129 1.00 0.71 H new ATOM 0 HG23 VAL A 416 101.382 9.353 9.929 1.00 0.71 H new ATOM 1562 N ASP A 417 105.850 10.773 9.330 1.00 0.53 N ATOM 1563 CA ASP A 417 107.245 11.171 8.981 1.00 0.53 C ATOM 1564 C ASP A 417 108.238 10.541 9.963 1.00 0.58 C ATOM 1565 O ASP A 417 109.264 10.019 9.574 1.00 0.60 O ATOM 1566 CB ASP A 417 107.267 12.695 9.091 1.00 0.61 C ATOM 1567 CG ASP A 417 108.602 13.226 8.570 1.00 1.03 C ATOM 1568 OD1 ASP A 417 108.723 13.394 7.367 1.00 1.81 O ATOM 1569 OD2 ASP A 417 109.484 13.456 9.382 1.00 1.15 O ATOM 0 H ASP A 417 105.232 11.538 9.602 1.00 0.53 H new ATOM 0 HA ASP A 417 107.532 10.835 7.985 1.00 0.53 H new ATOM 0 HB2 ASP A 417 106.445 13.123 8.518 1.00 0.61 H new ATOM 0 HB3 ASP A 417 107.124 12.997 10.128 1.00 0.61 H new ATOM 1574 N GLN A 418 107.931 10.555 11.230 1.00 0.62 N ATOM 1575 CA GLN A 418 108.849 9.928 12.222 1.00 0.68 C ATOM 1576 C GLN A 418 108.871 8.404 12.050 1.00 0.69 C ATOM 1577 O GLN A 418 109.910 7.787 12.146 1.00 0.81 O ATOM 1578 CB GLN A 418 108.303 10.331 13.597 1.00 0.73 C ATOM 1579 CG GLN A 418 106.871 9.832 13.757 1.00 1.31 C ATOM 1580 CD GLN A 418 106.421 10.031 15.206 1.00 1.86 C ATOM 1581 OE1 GLN A 418 105.997 11.105 15.581 1.00 1.96 O ATOM 1582 NE2 GLN A 418 106.495 9.031 16.042 1.00 2.60 N ATOM 0 H GLN A 418 107.086 10.972 11.621 1.00 0.62 H new ATOM 0 HA GLN A 418 109.879 10.261 12.094 1.00 0.68 H new ATOM 0 HB2 GLN A 418 108.932 9.914 14.384 1.00 0.73 H new ATOM 0 HB3 GLN A 418 108.333 11.415 13.706 1.00 0.73 H new ATOM 0 HG2 GLN A 418 106.208 10.373 13.082 1.00 1.31 H new ATOM 0 HG3 GLN A 418 106.810 8.778 13.487 1.00 1.31 H new ATOM 0 HE21 GLN A 418 106.851 8.128 15.727 1.00 2.60 H new ATOM 0 HE22 GLN A 418 106.197 9.152 17.010 1.00 2.60 H new ATOM 1591 N LYS A 419 107.761 7.789 11.732 1.00 0.61 N ATOM 1592 CA LYS A 419 107.786 6.317 11.490 1.00 0.63 C ATOM 1593 C LYS A 419 108.639 5.988 10.259 1.00 0.62 C ATOM 1594 O LYS A 419 109.355 5.009 10.235 1.00 0.71 O ATOM 1595 CB LYS A 419 106.327 5.922 11.256 1.00 0.57 C ATOM 1596 CG LYS A 419 105.553 6.029 12.571 1.00 0.81 C ATOM 1597 CD LYS A 419 104.111 5.564 12.354 1.00 0.93 C ATOM 1598 CE LYS A 419 103.309 5.769 13.642 1.00 1.33 C ATOM 1599 NZ LYS A 419 102.546 7.030 13.422 1.00 2.49 N ATOM 0 H LYS A 419 106.850 8.236 11.631 1.00 0.61 H new ATOM 0 HA LYS A 419 108.224 5.774 12.328 1.00 0.63 H new ATOM 0 HB2 LYS A 419 105.879 6.572 10.504 1.00 0.57 H new ATOM 0 HB3 LYS A 419 106.272 4.904 10.871 1.00 0.57 H new ATOM 0 HG2 LYS A 419 106.031 5.419 13.338 1.00 0.81 H new ATOM 0 HG3 LYS A 419 105.564 7.058 12.929 1.00 0.81 H new ATOM 0 HD2 LYS A 419 103.656 6.124 11.537 1.00 0.93 H new ATOM 0 HD3 LYS A 419 104.096 4.513 12.067 1.00 0.93 H new ATOM 0 HE2 LYS A 419 102.639 4.929 13.828 1.00 1.33 H new ATOM 0 HE3 LYS A 419 103.966 5.851 14.508 1.00 1.33 H new ATOM 0 HZ1 LYS A 419 101.781 7.100 14.123 1.00 2.49 H new ATOM 0 HZ2 LYS A 419 103.185 7.844 13.524 1.00 2.49 H new ATOM 0 HZ3 LYS A 419 102.139 7.027 12.465 1.00 2.49 H new ATOM 1613 N VAL A 420 108.592 6.812 9.250 1.00 0.56 N ATOM 1614 CA VAL A 420 109.418 6.557 8.032 1.00 0.62 C ATOM 1615 C VAL A 420 110.903 6.667 8.371 1.00 0.71 C ATOM 1616 O VAL A 420 111.723 5.907 7.901 1.00 0.79 O ATOM 1617 CB VAL A 420 109.023 7.664 7.054 1.00 0.60 C ATOM 1618 CG1 VAL A 420 109.876 7.556 5.792 1.00 0.70 C ATOM 1619 CG2 VAL A 420 107.545 7.527 6.686 1.00 0.59 C ATOM 0 H VAL A 420 108.017 7.653 9.214 1.00 0.56 H new ATOM 0 HA VAL A 420 109.252 5.561 7.622 1.00 0.62 H new ATOM 0 HB VAL A 420 109.187 8.634 7.523 1.00 0.60 H new ATOM 0 HG11 VAL A 420 109.595 8.345 5.094 1.00 0.70 H new ATOM 0 HG12 VAL A 420 110.929 7.662 6.054 1.00 0.70 H new ATOM 0 HG13 VAL A 420 109.714 6.584 5.325 1.00 0.70 H new ATOM 0 HG21 VAL A 420 107.269 8.318 5.989 1.00 0.59 H new ATOM 0 HG22 VAL A 420 107.375 6.557 6.220 1.00 0.59 H new ATOM 0 HG23 VAL A 420 106.937 7.608 7.587 1.00 0.59 H new ATOM 1629 N ASP A 421 111.254 7.637 9.157 1.00 0.72 N ATOM 1630 CA ASP A 421 112.685 7.847 9.508 1.00 0.84 C ATOM 1631 C ASP A 421 113.193 6.727 10.419 1.00 0.91 C ATOM 1632 O ASP A 421 114.245 6.161 10.194 1.00 1.00 O ATOM 1633 CB ASP A 421 112.695 9.186 10.241 1.00 0.88 C ATOM 1634 CG ASP A 421 112.485 10.320 9.236 1.00 1.14 C ATOM 1635 OD1 ASP A 421 112.508 10.045 8.048 1.00 1.25 O ATOM 1636 OD2 ASP A 421 112.305 11.446 9.673 1.00 2.05 O ATOM 0 H ASP A 421 110.606 8.303 9.578 1.00 0.72 H new ATOM 0 HA ASP A 421 113.335 7.843 8.633 1.00 0.84 H new ATOM 0 HB2 ASP A 421 111.909 9.205 10.996 1.00 0.88 H new ATOM 0 HB3 ASP A 421 113.642 9.320 10.763 1.00 0.88 H new ATOM 1641 N GLN A 422 112.428 6.369 11.413 1.00 0.89 N ATOM 1642 CA GLN A 422 112.829 5.249 12.314 1.00 0.98 C ATOM 1643 C GLN A 422 112.920 3.943 11.529 1.00 0.98 C ATOM 1644 O GLN A 422 113.832 3.165 11.724 1.00 1.07 O ATOM 1645 CB GLN A 422 111.729 5.180 13.374 1.00 0.99 C ATOM 1646 CG GLN A 422 111.680 6.500 14.148 1.00 1.32 C ATOM 1647 CD GLN A 422 110.573 6.435 15.201 1.00 1.77 C ATOM 1648 OE1 GLN A 422 109.707 5.584 15.136 1.00 2.33 O ATOM 1649 NE2 GLN A 422 110.563 7.303 16.175 1.00 2.33 N ATOM 0 H GLN A 422 111.536 6.807 11.642 1.00 0.89 H new ATOM 0 HA GLN A 422 113.810 5.408 12.763 1.00 0.98 H new ATOM 0 HB2 GLN A 422 110.766 4.988 12.901 1.00 0.99 H new ATOM 0 HB3 GLN A 422 111.920 4.353 14.057 1.00 0.99 H new ATOM 0 HG2 GLN A 422 112.641 6.689 14.627 1.00 1.32 H new ATOM 0 HG3 GLN A 422 111.497 7.328 13.464 1.00 1.32 H new ATOM 0 HE21 GLN A 422 111.290 8.017 16.229 1.00 2.33 H new ATOM 0 HE22 GLN A 422 109.829 7.268 16.882 1.00 2.33 H new ATOM 1658 N VAL A 423 112.123 3.792 10.512 1.00 0.91 N ATOM 1659 CA VAL A 423 112.339 2.654 9.587 1.00 0.94 C ATOM 1660 C VAL A 423 113.759 2.740 9.026 1.00 0.96 C ATOM 1661 O VAL A 423 114.494 1.774 9.016 1.00 1.00 O ATOM 1662 CB VAL A 423 111.304 2.863 8.490 1.00 0.92 C ATOM 1663 CG1 VAL A 423 111.468 1.793 7.410 1.00 0.95 C ATOM 1664 CG2 VAL A 423 109.900 2.779 9.088 1.00 0.99 C ATOM 0 H VAL A 423 111.338 4.402 10.284 1.00 0.91 H new ATOM 0 HA VAL A 423 112.234 1.677 10.058 1.00 0.94 H new ATOM 0 HB VAL A 423 111.449 3.846 8.043 1.00 0.92 H new ATOM 0 HG11 VAL A 423 110.725 1.948 6.628 1.00 0.95 H new ATOM 0 HG12 VAL A 423 112.467 1.861 6.979 1.00 0.95 H new ATOM 0 HG13 VAL A 423 111.330 0.806 7.852 1.00 0.95 H new ATOM 0 HG21 VAL A 423 109.160 2.929 8.302 1.00 0.99 H new ATOM 0 HG22 VAL A 423 109.755 1.798 9.540 1.00 0.99 H new ATOM 0 HG23 VAL A 423 109.782 3.550 9.849 1.00 0.99 H new ATOM 1674 N ALA A 424 114.187 3.925 8.683 1.00 0.98 N ATOM 1675 CA ALA A 424 115.605 4.116 8.269 1.00 1.07 C ATOM 1676 C ALA A 424 116.536 3.872 9.458 1.00 1.17 C ATOM 1677 O ALA A 424 117.525 3.174 9.352 1.00 1.24 O ATOM 1678 CB ALA A 424 115.689 5.574 7.830 1.00 1.09 C ATOM 0 H ALA A 424 113.615 4.769 8.672 1.00 0.98 H new ATOM 0 HA ALA A 424 115.902 3.427 7.478 1.00 1.07 H new ATOM 0 HB1 ALA A 424 116.706 5.799 7.508 1.00 1.09 H new ATOM 0 HB2 ALA A 424 115.000 5.745 7.003 1.00 1.09 H new ATOM 0 HB3 ALA A 424 115.421 6.221 8.665 1.00 1.09 H new ATOM 1684 N ARG A 425 116.201 4.404 10.606 1.00 1.23 N ATOM 1685 CA ARG A 425 117.042 4.155 11.810 1.00 1.39 C ATOM 1686 C ARG A 425 117.212 2.650 12.000 1.00 1.38 C ATOM 1687 O ARG A 425 118.153 2.190 12.617 1.00 1.53 O ATOM 1688 CB ARG A 425 116.268 4.752 12.989 1.00 1.57 C ATOM 1689 CG ARG A 425 116.008 6.242 12.750 1.00 2.17 C ATOM 1690 CD ARG A 425 117.283 6.920 12.250 1.00 2.43 C ATOM 1691 NE ARG A 425 118.266 6.757 13.357 1.00 2.68 N ATOM 1692 CZ ARG A 425 119.312 7.537 13.428 1.00 3.44 C ATOM 1693 NH1 ARG A 425 119.504 8.466 12.529 1.00 4.11 N ATOM 1694 NH2 ARG A 425 120.170 7.387 14.400 1.00 3.73 N ATOM 0 H ARG A 425 115.385 4.997 10.759 1.00 1.23 H new ATOM 0 HA ARG A 425 118.034 4.599 11.721 1.00 1.39 H new ATOM 0 HB2 ARG A 425 115.322 4.226 13.116 1.00 1.57 H new ATOM 0 HB3 ARG A 425 116.834 4.617 13.911 1.00 1.57 H new ATOM 0 HG2 ARG A 425 115.209 6.368 12.020 1.00 2.17 H new ATOM 0 HG3 ARG A 425 115.673 6.714 13.674 1.00 2.17 H new ATOM 0 HD2 ARG A 425 117.642 6.456 11.332 1.00 2.43 H new ATOM 0 HD3 ARG A 425 117.109 7.973 12.028 1.00 2.43 H new ATOM 0 HE ARG A 425 118.122 6.034 14.062 1.00 2.68 H new ATOM 0 HH11 ARG A 425 118.836 8.585 11.768 1.00 4.11 H new ATOM 0 HH12 ARG A 425 120.322 9.072 12.589 1.00 4.11 H new ATOM 0 HH21 ARG A 425 120.023 6.662 15.102 1.00 3.73 H new ATOM 0 HH22 ARG A 425 120.987 7.995 14.457 1.00 3.73 H new ATOM 1708 N GLN A 426 116.307 1.881 11.464 1.00 1.26 N ATOM 1709 CA GLN A 426 116.412 0.397 11.602 1.00 1.33 C ATOM 1710 C GLN A 426 117.187 -0.200 10.422 1.00 1.26 C ATOM 1711 O GLN A 426 117.371 -1.399 10.333 1.00 1.33 O ATOM 1712 CB GLN A 426 114.970 -0.108 11.613 1.00 1.34 C ATOM 1713 CG GLN A 426 114.261 0.411 12.863 1.00 1.95 C ATOM 1714 CD GLN A 426 112.793 -0.019 12.834 1.00 2.42 C ATOM 1715 OE1 GLN A 426 112.280 -0.404 11.802 1.00 2.68 O ATOM 1716 NE2 GLN A 426 112.090 0.030 13.932 1.00 2.92 N ATOM 0 H GLN A 426 115.499 2.212 10.937 1.00 1.26 H new ATOM 0 HA GLN A 426 116.949 0.108 12.505 1.00 1.33 H new ATOM 0 HB2 GLN A 426 114.448 0.230 10.718 1.00 1.34 H new ATOM 0 HB3 GLN A 426 114.954 -1.198 11.598 1.00 1.34 H new ATOM 0 HG2 GLN A 426 114.747 0.022 13.758 1.00 1.95 H new ATOM 0 HG3 GLN A 426 114.332 1.498 12.909 1.00 1.95 H new ATOM 0 HE21 GLN A 426 112.520 0.353 14.799 1.00 2.92 H new ATOM 0 HE22 GLN A 426 111.111 -0.255 13.924 1.00 2.92 H new ATOM 1725 N GLY A 427 117.681 0.624 9.542 1.00 1.16 N ATOM 1726 CA GLY A 427 118.488 0.100 8.401 1.00 1.14 C ATOM 1727 C GLY A 427 117.552 -0.389 7.294 1.00 1.07 C ATOM 1728 O GLY A 427 117.965 -1.061 6.370 1.00 1.11 O ATOM 0 H GLY A 427 117.562 1.637 9.561 1.00 1.16 H new ATOM 0 HA2 GLY A 427 119.145 0.881 8.018 1.00 1.14 H new ATOM 0 HA3 GLY A 427 119.127 -0.716 8.738 1.00 1.14 H new ATOM 1732 N ALA A 428 116.301 -0.034 7.370 1.00 1.07 N ATOM 1733 CA ALA A 428 115.337 -0.450 6.311 1.00 1.00 C ATOM 1734 C ALA A 428 115.014 0.737 5.404 1.00 0.94 C ATOM 1735 O ALA A 428 115.127 1.878 5.802 1.00 0.97 O ATOM 1736 CB ALA A 428 114.087 -0.897 7.070 1.00 1.04 C ATOM 0 H ALA A 428 115.902 0.528 8.122 1.00 1.07 H new ATOM 0 HA ALA A 428 115.734 -1.242 5.675 1.00 1.00 H new ATOM 0 HB1 ALA A 428 113.326 -1.220 6.360 1.00 1.04 H new ATOM 0 HB2 ALA A 428 114.340 -1.725 7.732 1.00 1.04 H new ATOM 0 HB3 ALA A 428 113.703 -0.065 7.660 1.00 1.04 H new ATOM 1742 N THR A 429 114.508 0.475 4.233 1.00 0.92 N ATOM 1743 CA THR A 429 114.053 1.592 3.359 1.00 0.88 C ATOM 1744 C THR A 429 112.566 1.835 3.593 1.00 0.65 C ATOM 1745 O THR A 429 111.747 1.005 3.256 1.00 0.62 O ATOM 1746 CB THR A 429 114.293 1.116 1.923 1.00 1.00 C ATOM 1747 OG1 THR A 429 115.676 1.218 1.616 1.00 1.21 O ATOM 1748 CG2 THR A 429 113.485 1.985 0.949 1.00 1.00 C ATOM 0 H THR A 429 114.390 -0.460 3.843 1.00 0.92 H new ATOM 0 HA THR A 429 114.583 2.523 3.563 1.00 0.88 H new ATOM 0 HB THR A 429 113.975 0.078 1.828 1.00 1.00 H new ATOM 0 HG1 THR A 429 115.795 1.226 0.643 1.00 1.21 H new ATOM 0 HG21 THR A 429 113.658 1.644 -0.072 1.00 1.00 H new ATOM 0 HG22 THR A 429 112.424 1.904 1.184 1.00 1.00 H new ATOM 0 HG23 THR A 429 113.799 3.025 1.042 1.00 1.00 H new ATOM 1756 N PRO A 430 112.273 2.939 4.214 1.00 0.70 N ATOM 1757 CA PRO A 430 110.874 3.269 4.553 1.00 0.55 C ATOM 1758 C PRO A 430 110.123 3.733 3.305 1.00 0.54 C ATOM 1759 O PRO A 430 110.202 4.884 2.923 1.00 0.68 O ATOM 1760 CB PRO A 430 110.992 4.416 5.563 1.00 0.81 C ATOM 1761 CG PRO A 430 112.460 4.611 5.811 1.00 1.20 C ATOM 1762 CD PRO A 430 113.196 3.973 4.667 1.00 1.04 C ATOM 0 HA PRO A 430 110.325 2.416 4.952 1.00 0.55 H new ATOM 0 HB2 PRO A 430 110.540 5.327 5.171 1.00 0.81 H new ATOM 0 HB3 PRO A 430 110.470 4.174 6.489 1.00 0.81 H new ATOM 0 HG2 PRO A 430 112.701 5.672 5.878 1.00 1.20 H new ATOM 0 HG3 PRO A 430 112.753 4.157 6.757 1.00 1.20 H new ATOM 0 HD2 PRO A 430 113.415 4.692 3.877 1.00 1.04 H new ATOM 0 HD3 PRO A 430 114.149 3.551 4.986 1.00 1.04 H new ATOM 1770 N LEU A 431 109.192 2.944 2.854 1.00 0.47 N ATOM 1771 CA LEU A 431 108.217 3.464 1.863 1.00 0.56 C ATOM 1772 C LEU A 431 107.032 4.045 2.623 1.00 0.54 C ATOM 1773 O LEU A 431 106.795 3.700 3.758 1.00 0.59 O ATOM 1774 CB LEU A 431 107.764 2.262 1.037 1.00 0.59 C ATOM 1775 CG LEU A 431 108.966 1.588 0.389 1.00 0.59 C ATOM 1776 CD1 LEU A 431 108.474 0.512 -0.578 1.00 1.14 C ATOM 1777 CD2 LEU A 431 109.783 2.627 -0.380 1.00 1.40 C ATOM 0 H LEU A 431 109.065 1.969 3.126 1.00 0.47 H new ATOM 0 HA LEU A 431 108.644 4.236 1.223 1.00 0.56 H new ATOM 0 HB2 LEU A 431 107.238 1.551 1.674 1.00 0.59 H new ATOM 0 HB3 LEU A 431 107.060 2.583 0.269 1.00 0.59 H new ATOM 0 HG LEU A 431 109.591 1.135 1.159 1.00 0.59 H new ATOM 0 HD11 LEU A 431 109.329 0.025 -1.046 1.00 1.14 H new ATOM 0 HD12 LEU A 431 107.889 -0.228 -0.032 1.00 1.14 H new ATOM 0 HD13 LEU A 431 107.852 0.971 -1.347 1.00 1.14 H new ATOM 0 HD21 LEU A 431 110.643 2.143 -0.843 1.00 1.40 H new ATOM 0 HD22 LEU A 431 109.161 3.080 -1.153 1.00 1.40 H new ATOM 0 HD23 LEU A 431 110.128 3.400 0.307 1.00 1.40 H new ATOM 1789 N VAL A 432 106.243 4.858 2.000 1.00 0.49 N ATOM 1790 CA VAL A 432 105.033 5.362 2.702 1.00 0.48 C ATOM 1791 C VAL A 432 103.779 5.059 1.883 1.00 0.48 C ATOM 1792 O VAL A 432 103.775 5.153 0.671 1.00 0.52 O ATOM 1793 CB VAL A 432 105.247 6.865 2.851 1.00 0.43 C ATOM 1794 CG1 VAL A 432 104.025 7.494 3.522 1.00 0.45 C ATOM 1795 CG2 VAL A 432 106.485 7.120 3.713 1.00 0.51 C ATOM 0 H VAL A 432 106.375 5.196 1.047 1.00 0.49 H new ATOM 0 HA VAL A 432 104.891 4.885 3.672 1.00 0.48 H new ATOM 0 HB VAL A 432 105.389 7.309 1.866 1.00 0.43 H new ATOM 0 HG11 VAL A 432 104.180 8.568 3.627 1.00 0.45 H new ATOM 0 HG12 VAL A 432 103.141 7.313 2.911 1.00 0.45 H new ATOM 0 HG13 VAL A 432 103.882 7.050 4.507 1.00 0.45 H new ATOM 0 HG21 VAL A 432 106.639 8.194 3.820 1.00 0.51 H new ATOM 0 HG22 VAL A 432 106.341 6.674 4.697 1.00 0.51 H new ATOM 0 HG23 VAL A 432 107.358 6.674 3.237 1.00 0.51 H new ATOM 1805 N VAL A 433 102.726 4.665 2.544 1.00 0.44 N ATOM 1806 CA VAL A 433 101.466 4.321 1.829 1.00 0.45 C ATOM 1807 C VAL A 433 100.345 5.244 2.303 1.00 0.37 C ATOM 1808 O VAL A 433 100.173 5.463 3.487 1.00 0.37 O ATOM 1809 CB VAL A 433 101.166 2.874 2.228 1.00 0.56 C ATOM 1810 CG1 VAL A 433 100.002 2.340 1.392 1.00 0.59 C ATOM 1811 CG2 VAL A 433 102.405 2.009 1.985 1.00 1.08 C ATOM 0 H VAL A 433 102.685 4.566 3.558 1.00 0.44 H new ATOM 0 HA VAL A 433 101.552 4.434 0.748 1.00 0.45 H new ATOM 0 HB VAL A 433 100.899 2.840 3.284 1.00 0.56 H new ATOM 0 HG11 VAL A 433 99.791 1.310 1.678 1.00 0.59 H new ATOM 0 HG12 VAL A 433 99.118 2.953 1.566 1.00 0.59 H new ATOM 0 HG13 VAL A 433 100.267 2.376 0.335 1.00 0.59 H new ATOM 0 HG21 VAL A 433 102.191 0.979 2.269 1.00 1.08 H new ATOM 0 HG22 VAL A 433 102.673 2.046 0.929 1.00 1.08 H new ATOM 0 HG23 VAL A 433 103.235 2.386 2.583 1.00 1.08 H new ATOM 1821 N VAL A 434 99.536 5.721 1.400 1.00 0.43 N ATOM 1822 CA VAL A 434 98.378 6.556 1.817 1.00 0.43 C ATOM 1823 C VAL A 434 97.092 6.052 1.176 1.00 0.48 C ATOM 1824 O VAL A 434 97.088 5.542 0.075 1.00 0.90 O ATOM 1825 CB VAL A 434 98.684 7.977 1.336 1.00 0.53 C ATOM 1826 CG1 VAL A 434 100.142 8.319 1.637 1.00 0.70 C ATOM 1827 CG2 VAL A 434 98.427 8.088 -0.169 1.00 0.49 C ATOM 0 H VAL A 434 99.626 5.569 0.395 1.00 0.43 H new ATOM 0 HA VAL A 434 98.236 6.518 2.897 1.00 0.43 H new ATOM 0 HB VAL A 434 98.033 8.678 1.859 1.00 0.53 H new ATOM 0 HG11 VAL A 434 100.357 9.331 1.293 1.00 0.70 H new ATOM 0 HG12 VAL A 434 100.316 8.256 2.711 1.00 0.70 H new ATOM 0 HG13 VAL A 434 100.795 7.615 1.121 1.00 0.70 H new ATOM 0 HG21 VAL A 434 98.647 9.102 -0.502 1.00 0.49 H new ATOM 0 HG22 VAL A 434 99.068 7.384 -0.700 1.00 0.49 H new ATOM 0 HG23 VAL A 434 97.383 7.857 -0.378 1.00 0.49 H new ATOM 1837 N GLU A 435 95.994 6.324 1.806 1.00 0.61 N ATOM 1838 CA GLU A 435 94.680 6.014 1.186 1.00 0.60 C ATOM 1839 C GLU A 435 94.067 7.304 0.655 1.00 0.62 C ATOM 1840 O GLU A 435 94.026 8.303 1.344 1.00 0.67 O ATOM 1841 CB GLU A 435 93.830 5.439 2.316 1.00 0.70 C ATOM 1842 CG GLU A 435 93.778 3.918 2.174 1.00 0.76 C ATOM 1843 CD GLU A 435 92.873 3.330 3.256 1.00 1.13 C ATOM 1844 OE1 GLU A 435 92.505 4.064 4.159 1.00 1.79 O ATOM 1845 OE2 GLU A 435 92.564 2.153 3.167 1.00 1.34 O ATOM 0 H GLU A 435 95.946 6.751 2.731 1.00 0.61 H new ATOM 0 HA GLU A 435 94.757 5.315 0.353 1.00 0.60 H new ATOM 0 HB2 GLU A 435 94.253 5.713 3.282 1.00 0.70 H new ATOM 0 HB3 GLU A 435 92.823 5.855 2.279 1.00 0.70 H new ATOM 0 HG2 GLU A 435 93.403 3.648 1.187 1.00 0.76 H new ATOM 0 HG3 GLU A 435 94.781 3.501 2.259 1.00 0.76 H new ATOM 1852 N GLY A 436 93.728 7.341 -0.596 1.00 0.61 N ATOM 1853 CA GLY A 436 93.286 8.635 -1.177 1.00 0.64 C ATOM 1854 C GLY A 436 94.421 9.652 -1.030 1.00 0.68 C ATOM 1855 O GLY A 436 95.426 9.579 -1.710 1.00 1.42 O ATOM 0 H GLY A 436 93.736 6.546 -1.235 1.00 0.61 H new ATOM 0 HA2 GLY A 436 93.026 8.508 -2.228 1.00 0.64 H new ATOM 0 HA3 GLY A 436 92.391 8.992 -0.668 1.00 0.64 H new ATOM 1859 N SER A 437 94.251 10.626 -0.176 1.00 0.84 N ATOM 1860 CA SER A 437 95.299 11.677 -0.019 1.00 0.81 C ATOM 1861 C SER A 437 95.886 11.668 1.402 1.00 0.83 C ATOM 1862 O SER A 437 96.552 12.599 1.804 1.00 1.35 O ATOM 1863 CB SER A 437 94.571 12.993 -0.283 1.00 0.80 C ATOM 1864 OG SER A 437 93.870 13.385 0.891 1.00 1.42 O ATOM 0 H SER A 437 93.431 10.739 0.420 1.00 0.84 H new ATOM 0 HA SER A 437 96.137 11.517 -0.698 1.00 0.81 H new ATOM 0 HB2 SER A 437 95.284 13.766 -0.570 1.00 0.80 H new ATOM 0 HB3 SER A 437 93.876 12.877 -1.114 1.00 0.80 H new ATOM 0 HG SER A 437 93.403 14.230 0.726 1.00 1.42 H new ATOM 1870 N ARG A 438 95.604 10.659 2.186 1.00 0.53 N ATOM 1871 CA ARG A 438 96.110 10.656 3.590 1.00 0.62 C ATOM 1872 C ARG A 438 96.935 9.390 3.857 1.00 0.65 C ATOM 1873 O ARG A 438 96.652 8.330 3.336 1.00 0.69 O ATOM 1874 CB ARG A 438 94.853 10.674 4.455 1.00 0.78 C ATOM 1875 CG ARG A 438 94.207 9.292 4.440 1.00 1.34 C ATOM 1876 CD ARG A 438 92.776 9.394 4.965 1.00 1.53 C ATOM 1877 NE ARG A 438 92.266 7.994 4.978 1.00 2.25 N ATOM 1878 CZ ARG A 438 91.861 7.432 3.869 1.00 2.95 C ATOM 1879 NH1 ARG A 438 91.919 8.085 2.739 1.00 3.49 N ATOM 1880 NH2 ARG A 438 91.400 6.211 3.891 1.00 3.52 N ATOM 0 H ARG A 438 95.051 9.845 1.918 1.00 0.53 H new ATOM 0 HA ARG A 438 96.763 11.503 3.799 1.00 0.62 H new ATOM 0 HB2 ARG A 438 95.105 10.958 5.477 1.00 0.78 H new ATOM 0 HB3 ARG A 438 94.151 11.419 4.081 1.00 0.78 H new ATOM 0 HG2 ARG A 438 94.206 8.890 3.427 1.00 1.34 H new ATOM 0 HG3 ARG A 438 94.784 8.602 5.056 1.00 1.34 H new ATOM 0 HD2 ARG A 438 92.753 9.831 5.963 1.00 1.53 H new ATOM 0 HD3 ARG A 438 92.165 10.030 4.324 1.00 1.53 H new ATOM 0 HE ARG A 438 92.233 7.473 5.854 1.00 2.25 H new ATOM 0 HH11 ARG A 438 92.282 9.038 2.719 1.00 3.49 H new ATOM 0 HH12 ARG A 438 91.602 7.642 1.877 1.00 3.49 H new ATOM 0 HH21 ARG A 438 91.356 5.698 4.772 1.00 3.52 H new ATOM 0 HH22 ARG A 438 91.083 5.770 3.028 1.00 3.52 H new ATOM 1894 N VAL A 439 97.999 9.523 4.596 1.00 0.67 N ATOM 1895 CA VAL A 439 98.921 8.366 4.807 1.00 0.74 C ATOM 1896 C VAL A 439 98.334 7.371 5.809 1.00 0.93 C ATOM 1897 O VAL A 439 97.961 7.725 6.910 1.00 1.41 O ATOM 1898 CB VAL A 439 100.204 8.984 5.361 1.00 0.89 C ATOM 1899 CG1 VAL A 439 101.270 7.898 5.515 1.00 0.99 C ATOM 1900 CG2 VAL A 439 100.708 10.059 4.397 1.00 0.86 C ATOM 0 H VAL A 439 98.274 10.385 5.066 1.00 0.67 H new ATOM 0 HA VAL A 439 99.091 7.810 3.885 1.00 0.74 H new ATOM 0 HB VAL A 439 100.000 9.433 6.333 1.00 0.89 H new ATOM 0 HG11 VAL A 439 102.185 8.340 5.910 1.00 0.99 H new ATOM 0 HG12 VAL A 439 100.911 7.131 6.201 1.00 0.99 H new ATOM 0 HG13 VAL A 439 101.474 7.448 4.543 1.00 0.99 H new ATOM 0 HG21 VAL A 439 101.623 10.501 4.791 1.00 0.86 H new ATOM 0 HG22 VAL A 439 100.911 9.610 3.425 1.00 0.86 H new ATOM 0 HG23 VAL A 439 99.949 10.834 4.287 1.00 0.86 H new ATOM 1910 N LEU A 440 98.285 6.116 5.447 1.00 0.79 N ATOM 1911 CA LEU A 440 97.763 5.088 6.388 1.00 1.07 C ATOM 1912 C LEU A 440 98.904 4.499 7.228 1.00 0.74 C ATOM 1913 O LEU A 440 98.702 4.101 8.357 1.00 0.88 O ATOM 1914 CB LEU A 440 97.124 4.011 5.506 1.00 1.60 C ATOM 1915 CG LEU A 440 98.116 3.542 4.442 1.00 1.48 C ATOM 1916 CD1 LEU A 440 98.336 2.038 4.584 1.00 1.79 C ATOM 1917 CD2 LEU A 440 97.549 3.843 3.053 1.00 1.57 C ATOM 0 H LEU A 440 98.585 5.761 4.539 1.00 0.79 H new ATOM 0 HA LEU A 440 97.043 5.509 7.090 1.00 1.07 H new ATOM 0 HB2 LEU A 440 96.812 3.166 6.120 1.00 1.60 H new ATOM 0 HB3 LEU A 440 96.228 4.407 5.028 1.00 1.60 H new ATOM 0 HG LEU A 440 99.064 4.064 4.570 1.00 1.48 H new ATOM 0 HD11 LEU A 440 99.043 1.701 3.826 1.00 1.79 H new ATOM 0 HD12 LEU A 440 98.735 1.821 5.575 1.00 1.79 H new ATOM 0 HD13 LEU A 440 97.387 1.517 4.452 1.00 1.79 H new ATOM 0 HD21 LEU A 440 98.254 3.510 2.292 1.00 1.57 H new ATOM 0 HD22 LEU A 440 96.602 3.318 2.925 1.00 1.57 H new ATOM 0 HD23 LEU A 440 97.386 4.916 2.951 1.00 1.57 H new ATOM 1929 N GLY A 441 100.103 4.449 6.700 1.00 0.64 N ATOM 1930 CA GLY A 441 101.231 3.893 7.508 1.00 1.02 C ATOM 1931 C GLY A 441 102.530 3.880 6.694 1.00 0.82 C ATOM 1932 O GLY A 441 102.581 4.334 5.571 1.00 0.96 O ATOM 0 H GLY A 441 100.346 4.763 5.761 1.00 0.64 H new ATOM 0 HA2 GLY A 441 101.368 4.490 8.409 1.00 1.02 H new ATOM 0 HA3 GLY A 441 100.989 2.880 7.830 1.00 1.02 H new ATOM 1936 N VAL A 442 103.587 3.373 7.277 1.00 0.56 N ATOM 1937 CA VAL A 442 104.905 3.336 6.573 1.00 0.44 C ATOM 1938 C VAL A 442 105.387 1.885 6.441 1.00 0.41 C ATOM 1939 O VAL A 442 105.032 1.032 7.231 1.00 0.41 O ATOM 1940 CB VAL A 442 105.855 4.120 7.476 1.00 0.42 C ATOM 1941 CG1 VAL A 442 107.237 4.173 6.828 1.00 0.44 C ATOM 1942 CG2 VAL A 442 105.322 5.543 7.667 1.00 0.57 C ATOM 0 H VAL A 442 103.593 2.980 8.218 1.00 0.56 H new ATOM 0 HA VAL A 442 104.849 3.755 5.568 1.00 0.44 H new ATOM 0 HB VAL A 442 105.926 3.629 8.447 1.00 0.42 H new ATOM 0 HG11 VAL A 442 107.918 4.732 7.469 1.00 0.44 H new ATOM 0 HG12 VAL A 442 107.615 3.159 6.693 1.00 0.44 H new ATOM 0 HG13 VAL A 442 107.166 4.666 5.858 1.00 0.44 H new ATOM 0 HG21 VAL A 442 106.000 6.102 8.312 1.00 0.57 H new ATOM 0 HG22 VAL A 442 105.251 6.038 6.698 1.00 0.57 H new ATOM 0 HG23 VAL A 442 104.335 5.503 8.127 1.00 0.57 H new ATOM 1952 N ILE A 443 106.199 1.598 5.460 1.00 0.42 N ATOM 1953 CA ILE A 443 106.707 0.201 5.298 1.00 0.43 C ATOM 1954 C ILE A 443 108.236 0.169 5.317 1.00 0.44 C ATOM 1955 O ILE A 443 108.892 0.897 4.609 1.00 0.51 O ATOM 1956 CB ILE A 443 106.195 -0.267 3.938 1.00 0.47 C ATOM 1957 CG1 ILE A 443 104.694 0.016 3.823 1.00 0.51 C ATOM 1958 CG2 ILE A 443 106.440 -1.769 3.794 1.00 0.56 C ATOM 1959 CD1 ILE A 443 103.982 -0.459 5.090 1.00 1.05 C ATOM 0 H ILE A 443 106.533 2.266 4.765 1.00 0.42 H new ATOM 0 HA ILE A 443 106.364 -0.439 6.111 1.00 0.43 H new ATOM 0 HB ILE A 443 106.724 0.269 3.150 1.00 0.47 H new ATOM 0 HG12 ILE A 443 104.525 1.083 3.678 1.00 0.51 H new ATOM 0 HG13 ILE A 443 104.284 -0.493 2.951 1.00 0.51 H new ATOM 0 HG21 ILE A 443 106.075 -2.106 2.824 1.00 0.56 H new ATOM 0 HG22 ILE A 443 107.508 -1.972 3.871 1.00 0.56 H new ATOM 0 HG23 ILE A 443 105.912 -2.301 4.585 1.00 0.56 H new ATOM 0 HD11 ILE A 443 102.914 -0.256 5.005 1.00 1.05 H new ATOM 0 HD12 ILE A 443 104.139 -1.530 5.216 1.00 1.05 H new ATOM 0 HD13 ILE A 443 104.384 0.070 5.954 1.00 1.05 H new ATOM 1971 N ALA A 444 108.800 -0.676 6.125 1.00 0.40 N ATOM 1972 CA ALA A 444 110.287 -0.769 6.206 1.00 0.44 C ATOM 1973 C ALA A 444 110.779 -2.016 5.468 1.00 0.43 C ATOM 1974 O ALA A 444 110.357 -3.117 5.754 1.00 0.45 O ATOM 1975 CB ALA A 444 110.588 -0.888 7.699 1.00 0.46 C ATOM 0 H ALA A 444 108.295 -1.314 6.740 1.00 0.40 H new ATOM 0 HA ALA A 444 110.781 0.089 5.751 1.00 0.44 H new ATOM 0 HB1 ALA A 444 111.665 -0.962 7.848 1.00 0.46 H new ATOM 0 HB2 ALA A 444 110.209 -0.008 8.218 1.00 0.46 H new ATOM 0 HB3 ALA A 444 110.105 -1.780 8.098 1.00 0.46 H new ATOM 1981 N LEU A 445 111.631 -1.855 4.493 1.00 0.57 N ATOM 1982 CA LEU A 445 112.101 -3.039 3.717 1.00 0.63 C ATOM 1983 C LEU A 445 113.510 -3.437 4.161 1.00 0.75 C ATOM 1984 O LEU A 445 114.349 -2.592 4.397 1.00 0.92 O ATOM 1985 CB LEU A 445 112.119 -2.584 2.258 1.00 0.81 C ATOM 1986 CG LEU A 445 110.700 -2.574 1.682 1.00 1.23 C ATOM 1987 CD1 LEU A 445 109.766 -1.785 2.602 1.00 2.11 C ATOM 1988 CD2 LEU A 445 110.719 -1.919 0.300 1.00 1.91 C ATOM 0 H LEU A 445 112.021 -0.959 4.200 1.00 0.57 H new ATOM 0 HA LEU A 445 111.457 -3.906 3.867 1.00 0.63 H new ATOM 0 HB2 LEU A 445 112.554 -1.587 2.187 1.00 0.81 H new ATOM 0 HB3 LEU A 445 112.751 -3.250 1.671 1.00 0.81 H new ATOM 0 HG LEU A 445 110.340 -3.600 1.601 1.00 1.23 H new ATOM 0 HD11 LEU A 445 108.759 -1.784 2.184 1.00 2.11 H new ATOM 0 HD12 LEU A 445 109.749 -2.249 3.588 1.00 2.11 H new ATOM 0 HD13 LEU A 445 110.124 -0.759 2.690 1.00 2.11 H new ATOM 0 HD21 LEU A 445 109.710 -1.911 -0.113 1.00 1.91 H new ATOM 0 HD22 LEU A 445 111.084 -0.896 0.387 1.00 1.91 H new ATOM 0 HD23 LEU A 445 111.377 -2.483 -0.361 1.00 1.91 H new ATOM 2000 N LYS A 446 113.812 -4.708 4.156 1.00 0.89 N ATOM 2001 CA LYS A 446 115.202 -5.145 4.447 1.00 1.15 C ATOM 2002 C LYS A 446 115.962 -5.344 3.140 1.00 1.27 C ATOM 2003 O LYS A 446 115.413 -5.799 2.160 1.00 1.87 O ATOM 2004 CB LYS A 446 115.047 -6.472 5.173 1.00 1.92 C ATOM 2005 CG LYS A 446 116.416 -6.987 5.607 1.00 2.25 C ATOM 2006 CD LYS A 446 116.258 -8.398 6.169 1.00 2.85 C ATOM 2007 CE LYS A 446 117.618 -8.928 6.627 1.00 3.64 C ATOM 2008 NZ LYS A 446 118.560 -8.575 5.528 1.00 4.48 N ATOM 0 H LYS A 446 113.152 -5.461 3.962 1.00 0.89 H new ATOM 0 HA LYS A 446 115.756 -4.416 5.038 1.00 1.15 H new ATOM 0 HB2 LYS A 446 114.403 -6.348 6.043 1.00 1.92 H new ATOM 0 HB3 LYS A 446 114.565 -7.200 4.520 1.00 1.92 H new ATOM 0 HG2 LYS A 446 117.102 -6.993 4.760 1.00 2.25 H new ATOM 0 HG3 LYS A 446 116.846 -6.327 6.361 1.00 2.25 H new ATOM 0 HD2 LYS A 446 115.560 -8.390 7.006 1.00 2.85 H new ATOM 0 HD3 LYS A 446 115.837 -9.057 5.409 1.00 2.85 H new ATOM 0 HE2 LYS A 446 117.922 -8.472 7.569 1.00 3.64 H new ATOM 0 HE3 LYS A 446 117.587 -10.005 6.790 1.00 3.64 H new ATOM 0 HZ1 LYS A 446 119.414 -9.164 5.601 1.00 4.48 H new ATOM 0 HZ2 LYS A 446 118.101 -8.743 4.610 1.00 4.48 H new ATOM 0 HZ3 LYS A 446 118.823 -7.572 5.605 1.00 4.48 H new ATOM 2022 N ASP A 447 117.221 -5.026 3.119 1.00 1.33 N ATOM 2023 CA ASP A 447 118.007 -5.226 1.870 1.00 2.04 C ATOM 2024 C ASP A 447 118.744 -6.562 1.920 1.00 1.83 C ATOM 2025 O ASP A 447 119.391 -6.890 2.895 1.00 2.21 O ATOM 2026 CB ASP A 447 119.005 -4.074 1.821 1.00 2.93 C ATOM 2027 CG ASP A 447 119.584 -3.959 0.409 1.00 3.02 C ATOM 2028 OD1 ASP A 447 119.181 -4.735 -0.440 1.00 2.75 O ATOM 2029 OD2 ASP A 447 120.424 -3.098 0.204 1.00 3.91 O ATOM 0 H ASP A 447 117.741 -4.638 3.906 1.00 1.33 H new ATOM 0 HA ASP A 447 117.367 -5.241 0.988 1.00 2.04 H new ATOM 0 HB2 ASP A 447 118.514 -3.142 2.101 1.00 2.93 H new ATOM 0 HB3 ASP A 447 119.806 -4.242 2.541 1.00 2.93 H new ATOM 2034 N ILE A 448 118.742 -7.279 0.837 1.00 2.00 N ATOM 2035 CA ILE A 448 119.547 -8.532 0.780 1.00 2.26 C ATOM 2036 C ILE A 448 120.986 -8.211 1.147 1.00 2.39 C ATOM 2037 O ILE A 448 121.622 -8.894 1.924 1.00 2.75 O ATOM 2038 CB ILE A 448 119.474 -8.992 -0.678 1.00 2.53 C ATOM 2039 CG1 ILE A 448 118.014 -9.102 -1.152 1.00 3.34 C ATOM 2040 CG2 ILE A 448 120.161 -10.346 -0.809 1.00 2.71 C ATOM 2041 CD1 ILE A 448 117.101 -9.543 -0.008 1.00 3.61 C ATOM 0 H ILE A 448 118.221 -7.056 -0.011 1.00 2.00 H new ATOM 0 HA ILE A 448 119.181 -9.297 1.465 1.00 2.26 H new ATOM 0 HB ILE A 448 119.978 -8.254 -1.303 1.00 2.53 H new ATOM 0 HG12 ILE A 448 117.680 -8.139 -1.539 1.00 3.34 H new ATOM 0 HG13 ILE A 448 117.947 -9.816 -1.972 1.00 3.34 H new ATOM 0 HG21 ILE A 448 120.113 -10.680 -1.846 1.00 2.71 H new ATOM 0 HG22 ILE A 448 121.204 -10.256 -0.505 1.00 2.71 H new ATOM 0 HG23 ILE A 448 119.658 -11.072 -0.170 1.00 2.71 H new ATOM 0 HD11 ILE A 448 116.075 -9.613 -0.368 1.00 3.61 H new ATOM 0 HD12 ILE A 448 117.424 -10.517 0.360 1.00 3.61 H new ATOM 0 HD13 ILE A 448 117.153 -8.814 0.801 1.00 3.61 H new ATOM 2053 N VAL A 449 121.483 -7.145 0.602 1.00 2.65 N ATOM 2054 CA VAL A 449 122.874 -6.714 0.914 1.00 3.38 C ATOM 2055 C VAL A 449 122.859 -5.625 1.992 1.00 3.99 C ATOM 2056 O VAL A 449 122.098 -4.681 1.923 1.00 4.70 O ATOM 2057 CB VAL A 449 123.410 -6.147 -0.398 1.00 4.18 C ATOM 2058 CG1 VAL A 449 124.879 -5.755 -0.226 1.00 5.09 C ATOM 2059 CG2 VAL A 449 123.289 -7.205 -1.497 1.00 4.27 C ATOM 0 H VAL A 449 120.983 -6.544 -0.054 1.00 2.65 H new ATOM 0 HA VAL A 449 123.486 -7.533 1.292 1.00 3.38 H new ATOM 0 HB VAL A 449 122.831 -5.266 -0.675 1.00 4.18 H new ATOM 0 HG11 VAL A 449 125.260 -5.350 -1.164 1.00 5.09 H new ATOM 0 HG12 VAL A 449 124.965 -5.001 0.556 1.00 5.09 H new ATOM 0 HG13 VAL A 449 125.460 -6.634 0.052 1.00 5.09 H new ATOM 0 HG21 VAL A 449 123.671 -6.801 -2.434 1.00 4.27 H new ATOM 0 HG22 VAL A 449 123.867 -8.086 -1.219 1.00 4.27 H new ATOM 0 HG23 VAL A 449 122.242 -7.482 -1.622 1.00 4.27 H new ATOM 2069 N LYS A 450 123.712 -5.736 2.974 1.00 4.08 N ATOM 2070 CA LYS A 450 123.765 -4.693 4.039 1.00 5.12 C ATOM 2071 C LYS A 450 124.776 -3.607 3.663 1.00 5.65 C ATOM 2072 O LYS A 450 125.887 -3.892 3.263 1.00 6.68 O ATOM 2073 CB LYS A 450 124.213 -5.434 5.299 1.00 5.87 C ATOM 2074 CG LYS A 450 124.096 -4.504 6.508 1.00 5.93 C ATOM 2075 CD LYS A 450 124.605 -5.223 7.758 1.00 6.39 C ATOM 2076 CE LYS A 450 124.346 -4.353 8.990 1.00 6.77 C ATOM 2077 NZ LYS A 450 124.451 -5.285 10.147 1.00 7.50 N ATOM 0 H LYS A 450 124.374 -6.504 3.085 1.00 4.08 H new ATOM 0 HA LYS A 450 122.805 -4.197 4.181 1.00 5.12 H new ATOM 0 HB2 LYS A 450 123.599 -6.322 5.449 1.00 5.87 H new ATOM 0 HB3 LYS A 450 125.243 -5.774 5.187 1.00 5.87 H new ATOM 0 HG2 LYS A 450 124.674 -3.595 6.338 1.00 5.93 H new ATOM 0 HG3 LYS A 450 123.058 -4.201 6.647 1.00 5.93 H new ATOM 0 HD2 LYS A 450 124.103 -6.184 7.867 1.00 6.39 H new ATOM 0 HD3 LYS A 450 125.671 -5.429 7.663 1.00 6.39 H new ATOM 0 HE2 LYS A 450 125.076 -3.547 9.065 1.00 6.77 H new ATOM 0 HE3 LYS A 450 123.361 -3.888 8.945 1.00 6.77 H new ATOM 0 HZ1 LYS A 450 124.285 -4.762 11.030 1.00 7.50 H new ATOM 0 HZ2 LYS A 450 123.740 -6.038 10.052 1.00 7.50 H new ATOM 0 HZ3 LYS A 450 125.401 -5.707 10.168 1.00 7.50 H new ATOM 2091 N GLY A 451 124.400 -2.364 3.788 1.00 5.14 N ATOM 2092 CA GLY A 451 125.341 -1.262 3.437 1.00 5.92 C ATOM 2093 C GLY A 451 126.383 -1.106 4.546 1.00 6.73 C ATOM 2094 O GLY A 451 126.387 -0.067 5.185 1.00 7.01 O ATOM 2095 OXT GLY A 451 127.159 -2.027 4.737 1.00 7.30 O ATOM 0 H GLY A 451 123.483 -2.063 4.118 1.00 5.14 H new ATOM 0 HA2 GLY A 451 125.833 -1.479 2.489 1.00 5.92 H new ATOM 0 HA3 GLY A 451 124.792 -0.329 3.306 1.00 5.92 H new TER 2099 GLY A 451 HETATM 2100 PG ANP A1001 116.880 7.732 -9.944 1.00 0.00 P HETATM 2101 O1G ANP A1001 115.857 7.613 -11.045 1.00 0.00 O HETATM 2102 O2G ANP A1001 117.129 9.176 -9.591 1.00 0.00 O HETATM 2103 O3G ANP A1001 118.162 7.034 -10.316 1.00 0.00 O HETATM 2104 PB ANP A1001 116.657 5.433 -8.488 1.00 0.00 P HETATM 2105 O1B ANP A1001 116.512 4.787 -9.837 1.00 0.00 O HETATM 2106 O2B ANP A1001 118.061 5.334 -7.962 1.00 0.00 O HETATM 2107 N3B ANP A1001 116.285 6.999 -8.637 1.00 0.00 N HETATM 2108 PA ANP A1001 114.467 3.769 -7.784 1.00 0.00 P HETATM 2109 O1A ANP A1001 113.167 4.416 -8.082 1.00 0.00 O HETATM 2110 O2A ANP A1001 115.010 2.884 -8.843 1.00 0.00 O HETATM 2111 O3A ANP A1001 115.560 4.908 -7.428 1.00 0.00 O HETATM 2112 O5' ANP A1001 114.345 2.935 -6.403 1.00 0.00 O HETATM 2113 C5' ANP A1001 113.200 2.112 -6.082 1.00 0.00 C HETATM 2114 C4' ANP A1001 112.309 2.836 -5.073 1.00 0.00 C HETATM 2115 O4' ANP A1001 110.935 2.706 -5.519 1.00 0.00 O HETATM 2116 C3' ANP A1001 112.443 2.005 -3.810 1.00 0.00 C HETATM 2117 O3' ANP A1001 113.534 2.434 -3.004 1.00 0.00 O HETATM 2118 C2' ANP A1001 111.127 2.266 -3.127 1.00 0.00 C HETATM 2119 O2' ANP A1001 111.187 3.422 -2.301 1.00 0.00 O HETATM 2120 C1' ANP A1001 110.172 2.481 -4.296 1.00 0.00 C HETATM 2121 N9 ANP A1001 109.338 1.254 -4.525 1.00 0.00 N HETATM 2122 C8 ANP A1001 109.812 0.005 -4.570 1.00 0.00 C HETATM 2123 N7 ANP A1001 108.822 -0.863 -4.802 1.00 0.00 N HETATM 2124 C5 ANP A1001 107.699 -0.168 -4.903 1.00 0.00 C HETATM 2125 C6 ANP A1001 106.327 -0.472 -5.130 1.00 0.00 C HETATM 2126 N6 ANP A1001 105.934 -1.730 -5.293 1.00 0.00 N HETATM 2127 N1 ANP A1001 105.397 0.542 -5.165 1.00 0.00 N HETATM 2128 C2 ANP A1001 105.727 1.858 -4.985 1.00 0.00 C HETATM 2129 N3 ANP A1001 107.035 2.166 -4.774 1.00 0.00 N HETATM 2130 C4 ANP A1001 108.025 1.198 -4.723 1.00 0.00 C HETATM 0 HO3' ANP A1001 113.232 3.137 -2.392 1.00 0.00 H new HETATM 0 HO2' ANP A1001 111.140 4.226 -2.859 1.00 0.00 H new HETATM 0 HNB1 ANP A1001 115.712 7.490 -7.951 1.00 0.00 H new HETATM 0 HN62 ANP A1001 104.949 -1.940 -5.455 1.00 0.00 H new HETATM 0 HN61 ANP A1001 106.617 -2.487 -5.256 1.00 0.00 H new HETATM 0 H5'2 ANP A1001 112.635 1.890 -6.987 1.00 0.00 H new HETATM 0 H5'1 ANP A1001 113.530 1.158 -5.671 1.00 0.00 H new HETATM 0 H8 ANP A1001 110.859 -0.268 -4.436 1.00 0.00 H new HETATM 0 H4' ANP A1001 112.570 3.886 -4.945 1.00 0.00 H new HETATM 0 H3' ANP A1001 112.645 0.951 -4.004 1.00 0.00 H new HETATM 0 H2' ANP A1001 110.826 1.456 -2.463 1.00 0.00 H new HETATM 0 H2 ANP A1001 104.964 2.636 -5.010 1.00 0.00 H new HETATM 0 H1' ANP A1001 109.540 3.337 -4.058 1.00 0.00 H new