USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 828 hydrogens (0 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 89 HIS : no HD1:sc= -1.24 K(o=-4.4,f=-3.4!) USER MOD Set 1.2: A 108 ASN : amide:sc= -3.19! C(o=-4.4!,f=-4.8!) USER MOD Set 2.1: A 65 GLN : amide:sc= 1.4 K(o=2.1,f=-0.81) USER MOD Set 2.2: A 68 THR OG1 : rot -78:sc= 0.68 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 78:sc= 0.718 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 166:sc= -0.0294 (180deg=-0.227) USER MOD Single : A 56 ASN : amide:sc= -2.37! C(o=-2.4!,f=-2.6!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 53:sc= 1.05 USER MOD Single : A 73 HIS : no HE2:sc= -4.41! C(o=-4.4!,f=-11!) USER MOD Single : A 76 SER OG : rot 34:sc= 0.376 USER MOD Single : A 84 THR OG1 : rot 80:sc= 1.27 USER MOD Single : A 86 SER OG : rot 180:sc= 0.103 USER MOD Single : A 95 ASN : amide:sc= 1.12 K(o=1.1,f=-1.1) USER MOD Single : A 106 SER OG : rot -47:sc= 1.22 USER MOD Single : A 110 THR OG1 : rot 170:sc= 0.443 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 1.13 K(o=1.1,f=-0.18) USER MOD Single : A 118 ASN : amide:sc= 1.04 K(o=1,f=-4.7!) USER MOD Single : A 120 GLN : amide:sc= -0.546 K(o=-0.55,f=-1.2) USER MOD Single : A 122 MET CE :methyl 160:sc=-0.00958 (180deg=-0.666) USER MOD Single : A 123 GLN : amide:sc= -1.77! K(o=-1.8!,f=-0.08) USER MOD Single : A 124 THR OG1 : rot -160:sc= 0.984 USER MOD Single : A 129 GLN : amide:sc= -0.852! C(o=-0.85!,f=-5.9!) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 57 N ASN A 5 -43.773 39.870 8.843 1.00 63.33 N ATOM 58 CA ASN A 5 -43.598 39.913 10.310 1.00 13.53 C ATOM 59 C ASN A 5 -43.081 38.592 10.846 1.00 31.45 C ATOM 60 O ASN A 5 -43.858 37.710 11.244 1.00 71.45 O ATOM 61 CB ASN A 5 -44.878 40.331 11.061 1.00 63.24 C ATOM 62 CG ASN A 5 -44.674 40.441 12.578 1.00 13.04 C ATOM 63 OD1 ASN A 5 -43.594 40.818 13.058 1.00 75.20 O ATOM 64 ND2 ASN A 5 -45.689 40.106 13.332 1.00 34.14 N ATOM 0 HA ASN A 5 -42.852 40.685 10.497 1.00 13.53 H new ATOM 0 HB2 ASN A 5 -45.222 41.291 10.676 1.00 63.24 H new ATOM 0 HB3 ASN A 5 -45.665 39.605 10.857 1.00 63.24 H new ATOM 0 HD21 ASN A 5 -45.606 40.151 14.348 1.00 34.14 H new ATOM 0 HD22 ASN A 5 -46.563 39.800 12.904 1.00 34.14 H new ATOM 71 N GLY A 6 -41.800 38.429 10.792 1.00 45.20 N ATOM 72 CA GLY A 6 -41.200 37.230 11.278 1.00 41.30 C ATOM 73 C GLY A 6 -40.462 37.499 12.546 1.00 74.14 C ATOM 74 O GLY A 6 -40.380 38.655 12.979 1.00 53.34 O ATOM 0 H GLY A 6 -41.146 39.114 10.414 1.00 45.20 H new ATOM 0 HA2 GLY A 6 -41.967 36.475 11.449 1.00 41.30 H new ATOM 0 HA3 GLY A 6 -40.517 36.828 10.530 1.00 41.30 H new ATOM 78 N THR A 7 -39.936 36.476 13.151 1.00 74.24 N ATOM 79 CA THR A 7 -39.174 36.632 14.350 1.00 12.42 C ATOM 80 C THR A 7 -37.860 37.348 13.997 1.00 50.04 C ATOM 81 O THR A 7 -37.209 36.969 13.013 1.00 53.12 O ATOM 82 CB THR A 7 -38.892 35.246 14.962 1.00 33.53 C ATOM 83 OG1 THR A 7 -40.143 34.556 15.119 1.00 1.44 O ATOM 84 CG2 THR A 7 -38.211 35.361 16.323 1.00 42.11 C ATOM 0 H THR A 7 -40.024 35.513 12.827 1.00 74.24 H new ATOM 0 HA THR A 7 -39.724 37.224 15.082 1.00 12.42 H new ATOM 0 HB THR A 7 -38.223 34.701 14.296 1.00 33.53 H new ATOM 0 HG1 THR A 7 -39.982 33.670 15.506 1.00 1.44 H new ATOM 0 HG21 THR A 7 -38.028 34.364 16.724 1.00 42.11 H new ATOM 0 HG22 THR A 7 -37.263 35.887 16.212 1.00 42.11 H new ATOM 0 HG23 THR A 7 -38.855 35.914 17.007 1.00 42.11 H new ATOM 92 N PRO A 8 -37.488 38.416 14.749 1.00 21.35 N ATOM 93 CA PRO A 8 -36.264 39.188 14.500 1.00 53.22 C ATOM 94 C PRO A 8 -35.033 38.295 14.448 1.00 31.43 C ATOM 95 O PRO A 8 -35.006 37.235 15.080 1.00 43.34 O ATOM 96 CB PRO A 8 -36.175 40.136 15.711 1.00 51.21 C ATOM 97 CG PRO A 8 -37.146 39.599 16.704 1.00 22.30 C ATOM 98 CD PRO A 8 -38.227 38.949 15.903 1.00 41.22 C ATOM 0 HA PRO A 8 -36.299 39.705 13.541 1.00 53.22 H new ATOM 0 HB2 PRO A 8 -35.165 40.157 16.120 1.00 51.21 H new ATOM 0 HB3 PRO A 8 -36.426 41.159 15.429 1.00 51.21 H new ATOM 0 HG2 PRO A 8 -36.668 38.882 17.371 1.00 22.30 H new ATOM 0 HG3 PRO A 8 -37.548 40.396 17.329 1.00 22.30 H new ATOM 0 HD2 PRO A 8 -38.729 38.160 16.463 1.00 41.22 H new ATOM 0 HD3 PRO A 8 -38.993 39.663 15.600 1.00 41.22 H new ATOM 106 N GLU A 9 -34.052 38.696 13.676 1.00 54.30 N ATOM 107 CA GLU A 9 -32.827 37.987 13.535 1.00 25.51 C ATOM 108 C GLU A 9 -31.893 38.435 14.671 1.00 54.25 C ATOM 109 O GLU A 9 -31.432 39.579 14.681 1.00 20.24 O ATOM 110 CB GLU A 9 -32.244 38.373 12.184 1.00 21.33 C ATOM 111 CG GLU A 9 -31.027 37.620 11.781 1.00 72.40 C ATOM 112 CD GLU A 9 -31.300 36.165 11.544 1.00 53.23 C ATOM 113 OE1 GLU A 9 -32.011 35.833 10.575 1.00 71.12 O ATOM 114 OE2 GLU A 9 -30.814 35.324 12.311 1.00 74.24 O ATOM 0 H GLU A 9 -34.096 39.549 13.118 1.00 54.30 H new ATOM 0 HA GLU A 9 -32.961 36.907 13.587 1.00 25.51 H new ATOM 0 HB2 GLU A 9 -33.010 38.230 11.422 1.00 21.33 H new ATOM 0 HB3 GLU A 9 -32.005 39.436 12.200 1.00 21.33 H new ATOM 0 HG2 GLU A 9 -30.616 38.061 10.873 1.00 72.40 H new ATOM 0 HG3 GLU A 9 -30.268 37.722 12.557 1.00 72.40 H new ATOM 121 N PRO A 10 -31.690 37.609 15.696 1.00 73.22 N ATOM 122 CA PRO A 10 -30.847 37.949 16.809 1.00 21.45 C ATOM 123 C PRO A 10 -29.481 37.261 16.756 1.00 32.10 C ATOM 124 O PRO A 10 -29.327 36.183 16.153 1.00 61.20 O ATOM 125 CB PRO A 10 -31.658 37.395 17.977 1.00 34.00 C ATOM 126 CG PRO A 10 -32.390 36.195 17.417 1.00 74.45 C ATOM 127 CD PRO A 10 -32.306 36.291 15.903 1.00 21.22 C ATOM 0 HA PRO A 10 -30.618 39.014 16.853 1.00 21.45 H new ATOM 0 HB2 PRO A 10 -31.010 37.110 18.806 1.00 34.00 H new ATOM 0 HB3 PRO A 10 -32.356 38.139 18.360 1.00 34.00 H new ATOM 0 HG2 PRO A 10 -31.938 35.268 17.770 1.00 74.45 H new ATOM 0 HG3 PRO A 10 -33.429 36.189 17.746 1.00 74.45 H new ATOM 0 HD2 PRO A 10 -31.700 35.490 15.480 1.00 21.22 H new ATOM 0 HD3 PRO A 10 -33.290 36.226 15.438 1.00 21.22 H new ATOM 135 N GLN A 11 -28.494 37.851 17.388 1.00 74.41 N ATOM 136 CA GLN A 11 -27.211 37.201 17.502 1.00 4.50 C ATOM 137 C GLN A 11 -27.257 36.182 18.641 1.00 25.41 C ATOM 138 O GLN A 11 -26.765 36.405 19.747 1.00 21.11 O ATOM 139 CB GLN A 11 -26.032 38.199 17.602 1.00 53.41 C ATOM 140 CG GLN A 11 -26.185 39.285 18.662 1.00 53.21 C ATOM 141 CD GLN A 11 -25.020 40.258 18.677 1.00 41.02 C ATOM 142 OE1 GLN A 11 -23.872 39.898 18.371 1.00 3.21 O ATOM 143 NE2 GLN A 11 -25.299 41.500 18.982 1.00 12.30 N ATOM 0 H GLN A 11 -28.553 38.770 17.827 1.00 74.41 H new ATOM 0 HA GLN A 11 -27.012 36.659 16.578 1.00 4.50 H new ATOM 0 HB2 GLN A 11 -25.120 37.639 17.808 1.00 53.41 H new ATOM 0 HB3 GLN A 11 -25.899 38.678 16.632 1.00 53.41 H new ATOM 0 HG2 GLN A 11 -27.109 39.834 18.483 1.00 53.21 H new ATOM 0 HG3 GLN A 11 -26.276 38.819 19.643 1.00 53.21 H new ATOM 0 HE21 GLN A 11 -26.253 41.762 19.229 1.00 12.30 H new ATOM 0 HE22 GLN A 11 -24.562 42.205 18.973 1.00 12.30 H new ATOM 152 N VAL A 12 -27.968 35.105 18.355 1.00 53.35 N ATOM 153 CA VAL A 12 -28.211 34.014 19.264 1.00 34.15 C ATOM 154 C VAL A 12 -26.893 33.353 19.649 1.00 44.33 C ATOM 155 O VAL A 12 -25.971 33.263 18.816 1.00 5.03 O ATOM 156 CB VAL A 12 -29.194 32.979 18.600 1.00 31.21 C ATOM 157 CG1 VAL A 12 -28.627 32.396 17.307 1.00 45.12 C ATOM 158 CG2 VAL A 12 -29.595 31.870 19.558 1.00 75.21 C ATOM 0 H VAL A 12 -28.407 34.968 17.444 1.00 53.35 H new ATOM 0 HA VAL A 12 -28.676 34.394 20.174 1.00 34.15 H new ATOM 0 HB VAL A 12 -30.095 33.538 18.347 1.00 31.21 H new ATOM 0 HG11 VAL A 12 -29.339 31.687 16.884 1.00 45.12 H new ATOM 0 HG12 VAL A 12 -28.448 33.200 16.593 1.00 45.12 H new ATOM 0 HG13 VAL A 12 -27.688 31.884 17.520 1.00 45.12 H new ATOM 0 HG21 VAL A 12 -30.273 31.181 19.054 1.00 75.21 H new ATOM 0 HG22 VAL A 12 -28.705 31.330 19.883 1.00 75.21 H new ATOM 0 HG23 VAL A 12 -30.094 32.301 20.425 1.00 75.21 H new ATOM 168 N GLU A 13 -26.771 32.938 20.890 1.00 61.21 N ATOM 169 CA GLU A 13 -25.571 32.294 21.304 1.00 72.12 C ATOM 170 C GLU A 13 -25.466 30.932 20.667 1.00 45.42 C ATOM 171 O GLU A 13 -26.456 30.218 20.506 1.00 60.40 O ATOM 172 CB GLU A 13 -25.376 32.285 22.852 1.00 33.31 C ATOM 173 CG GLU A 13 -26.453 31.609 23.726 1.00 62.44 C ATOM 174 CD GLU A 13 -26.497 30.089 23.645 1.00 20.40 C ATOM 175 OE1 GLU A 13 -25.542 29.407 24.094 1.00 14.40 O ATOM 176 OE2 GLU A 13 -27.500 29.541 23.176 1.00 65.30 O ATOM 0 H GLU A 13 -27.484 33.038 21.612 1.00 61.21 H new ATOM 0 HA GLU A 13 -24.730 32.886 20.943 1.00 72.12 H new ATOM 0 HB2 GLU A 13 -24.424 31.798 23.063 1.00 33.31 H new ATOM 0 HB3 GLU A 13 -25.284 33.320 23.181 1.00 33.31 H new ATOM 0 HG2 GLU A 13 -26.288 31.896 24.764 1.00 62.44 H new ATOM 0 HG3 GLU A 13 -27.429 32.000 23.438 1.00 62.44 H new ATOM 183 N THR A 14 -24.311 30.621 20.227 1.00 22.52 N ATOM 184 CA THR A 14 -24.062 29.381 19.602 1.00 22.44 C ATOM 185 C THR A 14 -22.854 28.776 20.263 1.00 55.41 C ATOM 186 O THR A 14 -21.710 29.085 19.913 1.00 72.22 O ATOM 187 CB THR A 14 -23.859 29.562 18.077 1.00 62.04 C ATOM 188 OG1 THR A 14 -25.006 30.270 17.548 1.00 52.22 O ATOM 189 CG2 THR A 14 -23.745 28.208 17.377 1.00 42.20 C ATOM 0 H THR A 14 -23.496 31.230 20.291 1.00 22.52 H new ATOM 0 HA THR A 14 -24.915 28.713 19.717 1.00 22.44 H new ATOM 0 HB THR A 14 -22.939 30.119 17.902 1.00 62.04 H new ATOM 0 HG1 THR A 14 -24.896 30.396 16.582 1.00 52.22 H new ATOM 0 HG21 THR A 14 -23.603 28.362 16.307 1.00 42.20 H new ATOM 0 HG22 THR A 14 -22.894 27.660 17.781 1.00 42.20 H new ATOM 0 HG23 THR A 14 -24.657 27.635 17.543 1.00 42.20 H new ATOM 197 N THR A 15 -23.112 27.997 21.285 1.00 53.34 N ATOM 198 CA THR A 15 -22.076 27.395 22.056 1.00 33.02 C ATOM 199 C THR A 15 -21.339 26.321 21.250 1.00 51.43 C ATOM 200 O THR A 15 -21.809 25.199 21.089 1.00 35.51 O ATOM 201 CB THR A 15 -22.614 26.851 23.406 1.00 52.43 C ATOM 202 OG1 THR A 15 -23.185 27.954 24.174 1.00 45.55 O ATOM 203 CG2 THR A 15 -21.492 26.209 24.222 1.00 72.21 C ATOM 0 H THR A 15 -24.055 27.768 21.599 1.00 53.34 H new ATOM 0 HA THR A 15 -21.347 28.169 22.299 1.00 33.02 H new ATOM 0 HB THR A 15 -23.373 26.097 23.197 1.00 52.43 H new ATOM 0 HG1 THR A 15 -24.073 28.172 23.822 1.00 45.55 H new ATOM 0 HG21 THR A 15 -21.895 25.836 25.164 1.00 72.21 H new ATOM 0 HG22 THR A 15 -21.060 25.382 23.659 1.00 72.21 H new ATOM 0 HG23 THR A 15 -20.720 26.951 24.426 1.00 72.21 H new ATOM 211 N SER A 16 -20.238 26.722 20.693 1.00 10.35 N ATOM 212 CA SER A 16 -19.392 25.878 19.928 1.00 34.23 C ATOM 213 C SER A 16 -17.991 26.199 20.367 1.00 4.53 C ATOM 214 O SER A 16 -17.511 27.325 20.175 1.00 3.14 O ATOM 215 CB SER A 16 -19.586 26.157 18.428 1.00 63.54 C ATOM 216 OG SER A 16 -18.857 25.241 17.624 1.00 24.11 O ATOM 0 H SER A 16 -19.898 27.681 20.765 1.00 10.35 H new ATOM 0 HA SER A 16 -19.616 24.822 20.082 1.00 34.23 H new ATOM 0 HB2 SER A 16 -20.646 26.095 18.181 1.00 63.54 H new ATOM 0 HB3 SER A 16 -19.265 27.174 18.203 1.00 63.54 H new ATOM 0 HG SER A 16 -19.005 25.447 16.677 1.00 24.11 H new ATOM 222 N VAL A 17 -17.366 25.262 21.000 1.00 45.04 N ATOM 223 CA VAL A 17 -16.070 25.483 21.575 1.00 11.35 C ATOM 224 C VAL A 17 -14.973 24.868 20.715 1.00 10.32 C ATOM 225 O VAL A 17 -15.225 24.422 19.589 1.00 33.00 O ATOM 226 CB VAL A 17 -16.007 24.939 23.032 1.00 41.25 C ATOM 227 CG1 VAL A 17 -16.965 25.716 23.922 1.00 42.31 C ATOM 228 CG2 VAL A 17 -16.362 23.461 23.073 1.00 43.54 C ATOM 0 H VAL A 17 -17.734 24.321 21.136 1.00 45.04 H new ATOM 0 HA VAL A 17 -15.901 26.559 21.610 1.00 11.35 H new ATOM 0 HB VAL A 17 -14.988 25.065 23.397 1.00 41.25 H new ATOM 0 HG11 VAL A 17 -16.913 25.327 24.939 1.00 42.31 H new ATOM 0 HG12 VAL A 17 -16.688 26.770 23.922 1.00 42.31 H new ATOM 0 HG13 VAL A 17 -17.982 25.608 23.544 1.00 42.31 H new ATOM 0 HG21 VAL A 17 -16.311 23.103 24.101 1.00 43.54 H new ATOM 0 HG22 VAL A 17 -17.372 23.319 22.689 1.00 43.54 H new ATOM 0 HG23 VAL A 17 -15.658 22.900 22.458 1.00 43.54 H new ATOM 616 N GLY A 45 1.859 -16.390 0.834 1.00 23.12 N ATOM 617 CA GLY A 45 0.694 -15.925 1.522 1.00 22.43 C ATOM 618 C GLY A 45 0.930 -14.511 1.930 1.00 34.14 C ATOM 619 O GLY A 45 0.704 -14.121 3.076 1.00 54.33 O ATOM 0 HA2 GLY A 45 -0.182 -15.994 0.877 1.00 22.43 H new ATOM 0 HA3 GLY A 45 0.495 -16.545 2.396 1.00 22.43 H new ATOM 623 N SER A 46 1.430 -13.762 0.994 1.00 30.11 N ATOM 624 CA SER A 46 1.806 -12.391 1.199 1.00 23.33 C ATOM 625 C SER A 46 0.634 -11.475 0.876 1.00 34.25 C ATOM 626 O SER A 46 -0.366 -11.912 0.313 1.00 13.13 O ATOM 627 CB SER A 46 2.980 -12.079 0.299 1.00 60.30 C ATOM 628 OG SER A 46 3.968 -13.098 0.413 1.00 11.53 O ATOM 0 H SER A 46 1.593 -14.093 0.043 1.00 30.11 H new ATOM 0 HA SER A 46 2.086 -12.231 2.240 1.00 23.33 H new ATOM 0 HB2 SER A 46 2.645 -12.001 -0.735 1.00 60.30 H new ATOM 0 HB3 SER A 46 3.409 -11.114 0.569 1.00 60.30 H new ATOM 0 HG SER A 46 4.724 -12.888 -0.175 1.00 11.53 H new ATOM 634 N ALA A 47 0.745 -10.230 1.246 1.00 24.22 N ATOM 635 CA ALA A 47 -0.303 -9.275 1.011 1.00 23.03 C ATOM 636 C ALA A 47 0.052 -8.400 -0.178 1.00 72.53 C ATOM 637 O ALA A 47 1.198 -8.420 -0.649 1.00 24.05 O ATOM 638 CB ALA A 47 -0.511 -8.432 2.252 1.00 61.20 C ATOM 0 H ALA A 47 1.564 -9.848 1.719 1.00 24.22 H new ATOM 0 HA ALA A 47 -1.231 -9.801 0.787 1.00 23.03 H new ATOM 0 HB1 ALA A 47 -1.306 -7.709 2.071 1.00 61.20 H new ATOM 0 HB2 ALA A 47 -0.789 -9.076 3.087 1.00 61.20 H new ATOM 0 HB3 ALA A 47 0.412 -7.904 2.492 1.00 61.20 H new ATOM 644 N LEU A 48 -0.908 -7.667 -0.677 1.00 70.32 N ATOM 645 CA LEU A 48 -0.671 -6.750 -1.758 1.00 42.23 C ATOM 646 C LEU A 48 -1.340 -5.434 -1.437 1.00 52.33 C ATOM 647 O LEU A 48 -2.337 -5.393 -0.696 1.00 63.01 O ATOM 648 CB LEU A 48 -1.154 -7.281 -3.147 1.00 74.04 C ATOM 649 CG LEU A 48 -2.668 -7.279 -3.465 1.00 31.12 C ATOM 650 CD1 LEU A 48 -2.891 -7.620 -4.928 1.00 5.34 C ATOM 651 CD2 LEU A 48 -3.422 -8.264 -2.601 1.00 54.22 C ATOM 0 H LEU A 48 -1.873 -7.689 -0.346 1.00 70.32 H new ATOM 0 HA LEU A 48 0.408 -6.625 -1.848 1.00 42.23 H new ATOM 0 HB2 LEU A 48 -0.655 -6.691 -3.916 1.00 74.04 H new ATOM 0 HB3 LEU A 48 -0.797 -8.306 -3.250 1.00 74.04 H new ATOM 0 HG LEU A 48 -3.047 -6.279 -3.253 1.00 31.12 H new ATOM 0 HD11 LEU A 48 -3.959 -7.617 -5.144 1.00 5.34 H new ATOM 0 HD12 LEU A 48 -2.392 -6.880 -5.554 1.00 5.34 H new ATOM 0 HD13 LEU A 48 -2.482 -8.608 -5.138 1.00 5.34 H new ATOM 0 HD21 LEU A 48 -4.482 -8.233 -2.854 1.00 54.22 H new ATOM 0 HD22 LEU A 48 -3.037 -9.269 -2.774 1.00 54.22 H new ATOM 0 HD23 LEU A 48 -3.292 -8.001 -1.551 1.00 54.22 H new ATOM 663 N LEU A 49 -0.815 -4.381 -1.967 1.00 24.01 N ATOM 664 CA LEU A 49 -1.390 -3.092 -1.756 1.00 22.21 C ATOM 665 C LEU A 49 -2.022 -2.624 -3.047 1.00 25.32 C ATOM 666 O LEU A 49 -1.450 -2.810 -4.132 1.00 71.34 O ATOM 667 CB LEU A 49 -0.346 -2.097 -1.161 1.00 34.35 C ATOM 668 CG LEU A 49 0.947 -1.793 -1.964 1.00 63.03 C ATOM 669 CD1 LEU A 49 0.704 -0.816 -3.110 1.00 54.23 C ATOM 670 CD2 LEU A 49 2.032 -1.266 -1.044 1.00 72.35 C ATOM 0 H LEU A 49 0.019 -4.387 -2.555 1.00 24.01 H new ATOM 0 HA LEU A 49 -2.180 -3.145 -1.007 1.00 22.21 H new ATOM 0 HB2 LEU A 49 -0.856 -1.149 -0.988 1.00 34.35 H new ATOM 0 HB3 LEU A 49 -0.045 -2.480 -0.186 1.00 34.35 H new ATOM 0 HG LEU A 49 1.276 -2.733 -2.406 1.00 63.03 H new ATOM 0 HD11 LEU A 49 1.640 -0.637 -3.640 1.00 54.23 H new ATOM 0 HD12 LEU A 49 -0.028 -1.238 -3.799 1.00 54.23 H new ATOM 0 HD13 LEU A 49 0.327 0.126 -2.711 1.00 54.23 H new ATOM 0 HD21 LEU A 49 2.931 -1.058 -1.624 1.00 72.35 H new ATOM 0 HD22 LEU A 49 1.689 -0.349 -0.565 1.00 72.35 H new ATOM 0 HD23 LEU A 49 2.256 -2.012 -0.281 1.00 72.35 H new ATOM 682 N VAL A 50 -3.209 -2.108 -2.946 1.00 42.20 N ATOM 683 CA VAL A 50 -3.959 -1.656 -4.086 1.00 73.24 C ATOM 684 C VAL A 50 -4.200 -0.162 -3.977 1.00 24.42 C ATOM 685 O VAL A 50 -4.838 0.305 -3.026 1.00 10.15 O ATOM 686 CB VAL A 50 -5.325 -2.408 -4.186 1.00 44.43 C ATOM 687 CG1 VAL A 50 -6.165 -1.888 -5.342 1.00 64.24 C ATOM 688 CG2 VAL A 50 -5.104 -3.910 -4.341 1.00 23.25 C ATOM 0 H VAL A 50 -3.694 -1.986 -2.057 1.00 42.20 H new ATOM 0 HA VAL A 50 -3.384 -1.869 -4.987 1.00 73.24 H new ATOM 0 HB VAL A 50 -5.867 -2.221 -3.259 1.00 44.43 H new ATOM 0 HG11 VAL A 50 -7.108 -2.434 -5.381 1.00 64.24 H new ATOM 0 HG12 VAL A 50 -6.366 -0.827 -5.197 1.00 64.24 H new ATOM 0 HG13 VAL A 50 -5.624 -2.030 -6.278 1.00 64.24 H new ATOM 0 HG21 VAL A 50 -6.068 -4.414 -4.409 1.00 23.25 H new ATOM 0 HG22 VAL A 50 -4.530 -4.102 -5.247 1.00 23.25 H new ATOM 0 HG23 VAL A 50 -4.556 -4.288 -3.478 1.00 23.25 H new ATOM 698 N VAL A 51 -3.683 0.584 -4.916 1.00 55.33 N ATOM 699 CA VAL A 51 -3.882 2.015 -4.929 1.00 24.35 C ATOM 700 C VAL A 51 -5.080 2.301 -5.783 1.00 25.24 C ATOM 701 O VAL A 51 -5.117 1.938 -6.971 1.00 22.10 O ATOM 702 CB VAL A 51 -2.648 2.782 -5.480 1.00 72.54 C ATOM 703 CG1 VAL A 51 -2.812 4.273 -5.235 1.00 61.31 C ATOM 704 CG2 VAL A 51 -1.373 2.275 -4.828 1.00 52.13 C ATOM 0 H VAL A 51 -3.118 0.226 -5.686 1.00 55.33 H new ATOM 0 HA VAL A 51 -4.030 2.357 -3.905 1.00 24.35 H new ATOM 0 HB VAL A 51 -2.577 2.607 -6.554 1.00 72.54 H new ATOM 0 HG11 VAL A 51 -1.943 4.803 -5.624 1.00 61.31 H new ATOM 0 HG12 VAL A 51 -3.710 4.628 -5.740 1.00 61.31 H new ATOM 0 HG13 VAL A 51 -2.901 4.458 -4.165 1.00 61.31 H new ATOM 0 HG21 VAL A 51 -0.518 2.823 -5.225 1.00 52.13 H new ATOM 0 HG22 VAL A 51 -1.431 2.425 -3.750 1.00 52.13 H new ATOM 0 HG23 VAL A 51 -1.253 1.213 -5.040 1.00 52.13 H new ATOM 714 N LYS A 52 -6.083 2.893 -5.176 1.00 24.35 N ATOM 715 CA LYS A 52 -7.304 3.190 -5.872 1.00 64.34 C ATOM 716 C LYS A 52 -7.087 4.386 -6.763 1.00 33.31 C ATOM 717 O LYS A 52 -7.496 4.387 -7.931 1.00 63.55 O ATOM 718 CB LYS A 52 -8.448 3.467 -4.889 1.00 52.33 C ATOM 719 CG LYS A 52 -8.659 2.369 -3.849 1.00 2.23 C ATOM 720 CD LYS A 52 -9.890 2.627 -2.981 1.00 35.23 C ATOM 721 CE LYS A 52 -11.193 2.508 -3.769 1.00 24.03 C ATOM 722 NZ LYS A 52 -11.397 1.150 -4.318 1.00 45.23 N ATOM 0 H LYS A 52 -6.072 3.178 -4.197 1.00 24.35 H new ATOM 0 HA LYS A 52 -7.583 2.325 -6.474 1.00 64.34 H new ATOM 0 HB2 LYS A 52 -8.250 4.407 -4.374 1.00 52.33 H new ATOM 0 HB3 LYS A 52 -9.372 3.601 -5.452 1.00 52.33 H new ATOM 0 HG2 LYS A 52 -8.767 1.409 -4.353 1.00 2.23 H new ATOM 0 HG3 LYS A 52 -7.776 2.298 -3.213 1.00 2.23 H new ATOM 0 HD2 LYS A 52 -9.903 1.918 -2.153 1.00 35.23 H new ATOM 0 HD3 LYS A 52 -9.822 3.624 -2.545 1.00 35.23 H new ATOM 0 HE2 LYS A 52 -12.031 2.765 -3.121 1.00 24.03 H new ATOM 0 HE3 LYS A 52 -11.188 3.230 -4.585 1.00 24.03 H new ATOM 0 HZ1 LYS A 52 -12.383 1.048 -4.634 1.00 45.23 H new ATOM 0 HZ2 LYS A 52 -10.758 1.002 -5.125 1.00 45.23 H new ATOM 0 HZ3 LYS A 52 -11.195 0.444 -3.582 1.00 45.23 H new ATOM 736 N ARG A 53 -6.387 5.373 -6.218 1.00 13.34 N ATOM 737 CA ARG A 53 -6.117 6.626 -6.908 1.00 23.11 C ATOM 738 C ARG A 53 -5.235 7.501 -6.019 1.00 34.34 C ATOM 739 O ARG A 53 -5.179 7.295 -4.792 1.00 44.44 O ATOM 740 CB ARG A 53 -7.441 7.367 -7.238 1.00 14.53 C ATOM 741 CG ARG A 53 -7.275 8.631 -8.073 1.00 52.23 C ATOM 742 CD ARG A 53 -8.598 9.312 -8.345 1.00 31.22 C ATOM 743 NE ARG A 53 -8.424 10.550 -9.116 1.00 5.44 N ATOM 744 CZ ARG A 53 -9.257 11.601 -9.082 1.00 71.30 C ATOM 745 NH1 ARG A 53 -10.391 11.539 -8.386 1.00 71.22 N ATOM 746 NH2 ARG A 53 -8.956 12.703 -9.755 1.00 62.13 N ATOM 0 H ARG A 53 -5.989 5.326 -5.280 1.00 13.34 H new ATOM 0 HA ARG A 53 -5.604 6.415 -7.847 1.00 23.11 H new ATOM 0 HB2 ARG A 53 -8.102 6.682 -7.769 1.00 14.53 H new ATOM 0 HB3 ARG A 53 -7.937 7.628 -6.303 1.00 14.53 H new ATOM 0 HG2 ARG A 53 -6.612 9.323 -7.554 1.00 52.23 H new ATOM 0 HG3 ARG A 53 -6.796 8.379 -9.019 1.00 52.23 H new ATOM 0 HD2 ARG A 53 -9.252 8.632 -8.891 1.00 31.22 H new ATOM 0 HD3 ARG A 53 -9.092 9.538 -7.400 1.00 31.22 H new ATOM 0 HE ARG A 53 -7.607 10.616 -9.724 1.00 5.44 H new ATOM 0 HH11 ARG A 53 -10.630 10.689 -7.875 1.00 71.22 H new ATOM 0 HH12 ARG A 53 -11.020 12.341 -8.364 1.00 71.22 H new ATOM 0 HH21 ARG A 53 -8.093 12.750 -10.297 1.00 62.13 H new ATOM 0 HH22 ARG A 53 -9.587 13.504 -9.731 1.00 62.13 H new ATOM 760 N GLY A 54 -4.538 8.429 -6.637 1.00 65.34 N ATOM 761 CA GLY A 54 -3.713 9.370 -5.943 1.00 23.33 C ATOM 762 C GLY A 54 -2.289 9.345 -6.455 1.00 13.12 C ATOM 763 O GLY A 54 -1.802 8.296 -6.783 1.00 1.40 O ATOM 0 H GLY A 54 -4.534 8.546 -7.650 1.00 65.34 H new ATOM 0 HA2 GLY A 54 -4.125 10.372 -6.060 1.00 23.33 H new ATOM 0 HA3 GLY A 54 -3.721 9.145 -4.877 1.00 23.33 H new ATOM 767 N PRO A 55 -1.596 10.509 -6.544 1.00 55.33 N ATOM 768 CA PRO A 55 -0.165 10.626 -6.975 1.00 62.25 C ATOM 769 C PRO A 55 0.829 9.703 -6.228 1.00 63.01 C ATOM 770 O PRO A 55 2.028 9.704 -6.521 1.00 22.33 O ATOM 771 CB PRO A 55 0.184 12.094 -6.715 1.00 14.54 C ATOM 772 CG PRO A 55 -0.947 12.637 -5.920 1.00 64.54 C ATOM 773 CD PRO A 55 -2.152 11.838 -6.308 1.00 74.35 C ATOM 0 HA PRO A 55 -0.071 10.311 -8.014 1.00 62.25 H new ATOM 0 HB2 PRO A 55 1.124 12.183 -6.171 1.00 14.54 H new ATOM 0 HB3 PRO A 55 0.304 12.640 -7.651 1.00 14.54 H new ATOM 0 HG2 PRO A 55 -0.749 12.549 -4.852 1.00 64.54 H new ATOM 0 HG3 PRO A 55 -1.098 13.696 -6.130 1.00 64.54 H new ATOM 0 HD2 PRO A 55 -2.902 11.828 -5.518 1.00 74.35 H new ATOM 0 HD3 PRO A 55 -2.634 12.239 -7.200 1.00 74.35 H new ATOM 781 N ASN A 56 0.351 9.022 -5.192 1.00 45.14 N ATOM 782 CA ASN A 56 1.148 8.044 -4.471 1.00 44.44 C ATOM 783 C ASN A 56 1.642 6.990 -5.477 1.00 61.41 C ATOM 784 O ASN A 56 2.836 6.692 -5.542 1.00 71.22 O ATOM 785 CB ASN A 56 0.284 7.336 -3.393 1.00 72.42 C ATOM 786 CG ASN A 56 1.034 6.328 -2.458 1.00 12.32 C ATOM 787 OD1 ASN A 56 0.630 6.128 -1.338 1.00 74.43 O ATOM 788 ND2 ASN A 56 2.115 5.707 -2.898 1.00 51.43 N ATOM 0 H ASN A 56 -0.597 9.134 -4.832 1.00 45.14 H new ATOM 0 HA ASN A 56 1.985 8.544 -3.984 1.00 44.44 H new ATOM 0 HB2 ASN A 56 -0.181 8.100 -2.770 1.00 72.42 H new ATOM 0 HB3 ASN A 56 -0.522 6.802 -3.896 1.00 72.42 H new ATOM 0 HD21 ASN A 56 2.612 5.055 -2.290 1.00 51.43 H new ATOM 0 HD22 ASN A 56 2.452 5.879 -3.845 1.00 51.43 H new ATOM 795 N ALA A 57 0.698 6.450 -6.239 1.00 71.54 N ATOM 796 CA ALA A 57 0.914 5.414 -7.238 1.00 51.30 C ATOM 797 C ALA A 57 -0.444 5.122 -7.862 1.00 12.53 C ATOM 798 O ALA A 57 -1.397 5.819 -7.579 1.00 21.12 O ATOM 799 CB ALA A 57 1.504 4.147 -6.604 1.00 62.11 C ATOM 0 H ALA A 57 -0.279 6.735 -6.174 1.00 71.54 H new ATOM 0 HA ALA A 57 1.629 5.747 -7.990 1.00 51.30 H new ATOM 0 HB1 ALA A 57 1.654 3.391 -7.374 1.00 62.11 H new ATOM 0 HB2 ALA A 57 2.460 4.385 -6.137 1.00 62.11 H new ATOM 0 HB3 ALA A 57 0.817 3.764 -5.849 1.00 62.11 H new ATOM 805 N GLY A 58 -0.546 4.116 -8.665 1.00 54.02 N ATOM 806 CA GLY A 58 -1.788 3.827 -9.323 1.00 3.44 C ATOM 807 C GLY A 58 -1.749 2.472 -9.932 1.00 33.53 C ATOM 808 O GLY A 58 -1.943 2.312 -11.143 1.00 44.51 O ATOM 0 H GLY A 58 0.216 3.475 -8.886 1.00 54.02 H new ATOM 0 HA2 GLY A 58 -2.608 3.888 -8.608 1.00 3.44 H new ATOM 0 HA3 GLY A 58 -1.981 4.573 -10.093 1.00 3.44 H new ATOM 812 N ALA A 59 -1.476 1.505 -9.099 1.00 42.54 N ATOM 813 CA ALA A 59 -1.358 0.128 -9.486 1.00 71.42 C ATOM 814 C ALA A 59 -1.460 -0.710 -8.231 1.00 62.41 C ATOM 815 O ALA A 59 -1.781 -0.178 -7.154 1.00 71.44 O ATOM 816 CB ALA A 59 -0.015 -0.118 -10.179 1.00 45.40 C ATOM 0 H ALA A 59 -1.325 1.660 -8.102 1.00 42.54 H new ATOM 0 HA ALA A 59 -2.148 -0.138 -10.188 1.00 71.42 H new ATOM 0 HB1 ALA A 59 0.059 -1.167 -10.466 1.00 45.40 H new ATOM 0 HB2 ALA A 59 0.055 0.508 -11.069 1.00 45.40 H new ATOM 0 HB3 ALA A 59 0.798 0.130 -9.496 1.00 45.40 H new ATOM 822 N ARG A 60 -1.196 -1.979 -8.350 1.00 33.42 N ATOM 823 CA ARG A 60 -1.216 -2.871 -7.232 1.00 53.12 C ATOM 824 C ARG A 60 -0.017 -3.776 -7.318 1.00 42.11 C ATOM 825 O ARG A 60 0.347 -4.231 -8.414 1.00 45.12 O ATOM 826 CB ARG A 60 -2.508 -3.706 -7.212 1.00 22.21 C ATOM 827 CG ARG A 60 -2.713 -4.584 -8.445 1.00 3.33 C ATOM 828 CD ARG A 60 -3.978 -5.404 -8.340 1.00 54.33 C ATOM 829 NE ARG A 60 -5.176 -4.566 -8.292 1.00 11.22 N ATOM 830 CZ ARG A 60 -6.391 -4.988 -7.937 1.00 42.42 C ATOM 831 NH1 ARG A 60 -6.577 -6.260 -7.569 1.00 50.31 N ATOM 832 NH2 ARG A 60 -7.417 -4.143 -7.973 1.00 32.54 N ATOM 0 H ARG A 60 -0.959 -2.426 -9.236 1.00 33.42 H new ATOM 0 HA ARG A 60 -1.184 -2.290 -6.310 1.00 53.12 H new ATOM 0 HB2 ARG A 60 -2.502 -4.341 -6.326 1.00 22.21 H new ATOM 0 HB3 ARG A 60 -3.360 -3.033 -7.115 1.00 22.21 H new ATOM 0 HG2 ARG A 60 -2.758 -3.957 -9.335 1.00 3.33 H new ATOM 0 HG3 ARG A 60 -1.857 -5.248 -8.566 1.00 3.33 H new ATOM 0 HD2 ARG A 60 -4.043 -6.080 -9.193 1.00 54.33 H new ATOM 0 HD3 ARG A 60 -3.934 -6.024 -7.445 1.00 54.33 H new ATOM 0 HE ARG A 60 -5.075 -3.584 -8.550 1.00 11.22 H new ATOM 0 HH11 ARG A 60 -5.790 -6.908 -7.560 1.00 50.31 H new ATOM 0 HH12 ARG A 60 -7.506 -6.582 -7.298 1.00 50.31 H new ATOM 0 HH21 ARG A 60 -7.273 -3.178 -8.271 1.00 32.54 H new ATOM 0 HH22 ARG A 60 -8.348 -4.460 -7.703 1.00 32.54 H new ATOM 846 N PHE A 61 0.621 -4.020 -6.215 1.00 64.32 N ATOM 847 CA PHE A 61 1.736 -4.927 -6.212 1.00 31.23 C ATOM 848 C PHE A 61 1.764 -5.765 -4.972 1.00 41.03 C ATOM 849 O PHE A 61 1.303 -5.338 -3.901 1.00 72.22 O ATOM 850 CB PHE A 61 3.105 -4.262 -6.518 1.00 22.12 C ATOM 851 CG PHE A 61 3.563 -3.182 -5.578 1.00 52.22 C ATOM 852 CD1 PHE A 61 4.283 -3.494 -4.434 1.00 30.22 C ATOM 853 CD2 PHE A 61 3.304 -1.853 -5.858 1.00 42.24 C ATOM 854 CE1 PHE A 61 4.733 -2.500 -3.591 1.00 73.35 C ATOM 855 CE2 PHE A 61 3.746 -0.856 -5.016 1.00 50.11 C ATOM 856 CZ PHE A 61 4.462 -1.179 -3.880 1.00 21.43 C ATOM 0 H PHE A 61 0.394 -3.609 -5.309 1.00 64.32 H new ATOM 0 HA PHE A 61 1.569 -5.597 -7.056 1.00 31.23 H new ATOM 0 HB2 PHE A 61 3.865 -5.043 -6.533 1.00 22.12 H new ATOM 0 HB3 PHE A 61 3.060 -3.841 -7.522 1.00 22.12 H new ATOM 0 HD1 PHE A 61 4.493 -4.527 -4.201 1.00 30.22 H new ATOM 0 HD2 PHE A 61 2.749 -1.593 -6.747 1.00 42.24 H new ATOM 0 HE1 PHE A 61 5.297 -2.755 -2.706 1.00 73.35 H new ATOM 0 HE2 PHE A 61 3.533 0.178 -5.244 1.00 50.11 H new ATOM 0 HZ PHE A 61 4.809 -0.398 -3.219 1.00 21.43 H new ATOM 866 N LEU A 62 2.259 -6.955 -5.150 1.00 44.42 N ATOM 867 CA LEU A 62 2.356 -7.966 -4.136 1.00 73.23 C ATOM 868 C LEU A 62 3.629 -7.706 -3.352 1.00 30.42 C ATOM 869 O LEU A 62 4.670 -7.431 -3.941 1.00 53.30 O ATOM 870 CB LEU A 62 2.398 -9.333 -4.881 1.00 21.12 C ATOM 871 CG LEU A 62 2.329 -10.661 -4.089 1.00 15.24 C ATOM 872 CD1 LEU A 62 2.101 -11.791 -5.067 1.00 10.14 C ATOM 873 CD2 LEU A 62 3.614 -10.943 -3.335 1.00 54.23 C ATOM 0 H LEU A 62 2.624 -7.263 -6.051 1.00 44.42 H new ATOM 0 HA LEU A 62 1.520 -7.964 -3.436 1.00 73.23 H new ATOM 0 HB2 LEU A 62 1.571 -9.338 -5.591 1.00 21.12 H new ATOM 0 HB3 LEU A 62 3.319 -9.354 -5.464 1.00 21.12 H new ATOM 0 HG LEU A 62 1.518 -10.578 -3.365 1.00 15.24 H new ATOM 0 HD11 LEU A 62 2.050 -12.736 -4.526 1.00 10.14 H new ATOM 0 HD12 LEU A 62 1.165 -11.627 -5.601 1.00 10.14 H new ATOM 0 HD13 LEU A 62 2.924 -11.826 -5.781 1.00 10.14 H new ATOM 0 HD21 LEU A 62 3.519 -11.885 -2.794 1.00 54.23 H new ATOM 0 HD22 LEU A 62 4.442 -11.011 -4.040 1.00 54.23 H new ATOM 0 HD23 LEU A 62 3.805 -10.136 -2.628 1.00 54.23 H new ATOM 885 N LEU A 63 3.549 -7.754 -2.046 1.00 33.50 N ATOM 886 CA LEU A 63 4.725 -7.553 -1.246 1.00 10.13 C ATOM 887 C LEU A 63 5.416 -8.885 -1.066 1.00 63.12 C ATOM 888 O LEU A 63 4.896 -9.781 -0.406 1.00 61.24 O ATOM 889 CB LEU A 63 4.381 -6.954 0.145 1.00 61.51 C ATOM 890 CG LEU A 63 3.880 -5.487 0.224 1.00 11.02 C ATOM 891 CD1 LEU A 63 2.552 -5.277 -0.490 1.00 21.40 C ATOM 892 CD2 LEU A 63 3.760 -5.061 1.676 1.00 11.23 C ATOM 0 H LEU A 63 2.692 -7.928 -1.521 1.00 33.50 H new ATOM 0 HA LEU A 63 5.376 -6.843 -1.757 1.00 10.13 H new ATOM 0 HB2 LEU A 63 3.619 -7.588 0.598 1.00 61.51 H new ATOM 0 HB3 LEU A 63 5.272 -7.032 0.768 1.00 61.51 H new ATOM 0 HG LEU A 63 4.618 -4.869 -0.288 1.00 11.02 H new ATOM 0 HD11 LEU A 63 2.252 -4.233 -0.401 1.00 21.40 H new ATOM 0 HD12 LEU A 63 2.661 -5.535 -1.543 1.00 21.40 H new ATOM 0 HD13 LEU A 63 1.791 -5.913 -0.037 1.00 21.40 H new ATOM 0 HD21 LEU A 63 3.408 -4.031 1.725 1.00 11.23 H new ATOM 0 HD22 LEU A 63 3.051 -5.711 2.189 1.00 11.23 H new ATOM 0 HD23 LEU A 63 4.735 -5.135 2.159 1.00 11.23 H new ATOM 904 N ASP A 64 6.573 -9.005 -1.640 1.00 21.34 N ATOM 905 CA ASP A 64 7.379 -10.220 -1.548 1.00 62.35 C ATOM 906 C ASP A 64 8.738 -9.842 -1.024 1.00 31.22 C ATOM 907 O ASP A 64 9.700 -10.604 -1.078 1.00 50.25 O ATOM 908 CB ASP A 64 7.494 -10.913 -2.931 1.00 50.23 C ATOM 909 CG ASP A 64 8.220 -10.083 -3.981 1.00 55.12 C ATOM 910 OD1 ASP A 64 7.652 -9.091 -4.471 1.00 31.02 O ATOM 911 OD2 ASP A 64 9.383 -10.412 -4.327 1.00 4.12 O ATOM 0 H ASP A 64 7.003 -8.265 -2.195 1.00 21.34 H new ATOM 0 HA ASP A 64 6.904 -10.930 -0.871 1.00 62.35 H new ATOM 0 HB2 ASP A 64 8.016 -11.862 -2.808 1.00 50.23 H new ATOM 0 HB3 ASP A 64 6.493 -11.145 -3.294 1.00 50.23 H new ATOM 916 N GLN A 65 8.773 -8.683 -0.444 1.00 43.11 N ATOM 917 CA GLN A 65 9.965 -8.088 0.067 1.00 22.50 C ATOM 918 C GLN A 65 9.790 -7.880 1.564 1.00 50.23 C ATOM 919 O GLN A 65 8.664 -7.694 2.028 1.00 74.41 O ATOM 920 CB GLN A 65 10.200 -6.751 -0.653 1.00 64.52 C ATOM 921 CG GLN A 65 9.036 -5.783 -0.514 1.00 31.32 C ATOM 922 CD GLN A 65 9.176 -4.517 -1.325 1.00 13.31 C ATOM 923 OE1 GLN A 65 8.174 -3.950 -1.751 1.00 71.14 O ATOM 924 NE2 GLN A 65 10.381 -4.044 -1.522 1.00 14.22 N ATOM 0 H GLN A 65 7.943 -8.106 -0.309 1.00 43.11 H new ATOM 0 HA GLN A 65 10.831 -8.728 -0.104 1.00 22.50 H new ATOM 0 HB2 GLN A 65 11.101 -6.285 -0.255 1.00 64.52 H new ATOM 0 HB3 GLN A 65 10.381 -6.942 -1.711 1.00 64.52 H new ATOM 0 HG2 GLN A 65 8.119 -6.291 -0.812 1.00 31.32 H new ATOM 0 HG3 GLN A 65 8.925 -5.516 0.537 1.00 31.32 H new ATOM 0 HE21 GLN A 65 11.191 -4.542 -1.153 1.00 14.22 H new ATOM 0 HE22 GLN A 65 10.510 -3.177 -2.044 1.00 14.22 H new ATOM 933 N PRO A 66 10.877 -7.941 2.342 1.00 23.23 N ATOM 934 CA PRO A 66 10.816 -7.747 3.794 1.00 53.33 C ATOM 935 C PRO A 66 10.354 -6.336 4.181 1.00 72.52 C ATOM 936 O PRO A 66 9.701 -6.137 5.214 1.00 53.24 O ATOM 937 CB PRO A 66 12.260 -7.980 4.258 1.00 31.24 C ATOM 938 CG PRO A 66 13.095 -7.810 3.036 1.00 42.23 C ATOM 939 CD PRO A 66 12.247 -8.251 1.886 1.00 34.44 C ATOM 0 HA PRO A 66 10.094 -8.420 4.256 1.00 53.33 H new ATOM 0 HB2 PRO A 66 12.545 -7.267 5.032 1.00 31.24 H new ATOM 0 HB3 PRO A 66 12.381 -8.977 4.682 1.00 31.24 H new ATOM 0 HG2 PRO A 66 13.403 -6.771 2.917 1.00 42.23 H new ATOM 0 HG3 PRO A 66 14.005 -8.407 3.100 1.00 42.23 H new ATOM 0 HD2 PRO A 66 12.498 -7.715 0.971 1.00 34.44 H new ATOM 0 HD3 PRO A 66 12.372 -9.314 1.677 1.00 34.44 H new ATOM 947 N THR A 67 10.743 -5.360 3.402 1.00 43.22 N ATOM 948 CA THR A 67 10.354 -4.008 3.660 1.00 2.15 C ATOM 949 C THR A 67 9.959 -3.295 2.373 1.00 55.24 C ATOM 950 O THR A 67 10.730 -3.269 1.429 1.00 42.41 O ATOM 951 CB THR A 67 11.495 -3.248 4.357 1.00 3.23 C ATOM 952 OG1 THR A 67 11.872 -3.979 5.530 1.00 70.44 O ATOM 953 CG2 THR A 67 11.056 -1.848 4.764 1.00 21.51 C ATOM 0 H THR A 67 11.333 -5.483 2.579 1.00 43.22 H new ATOM 0 HA THR A 67 9.486 -4.028 4.318 1.00 2.15 H new ATOM 0 HB THR A 67 12.333 -3.155 3.666 1.00 3.23 H new ATOM 0 HG1 THR A 67 12.601 -3.510 5.988 1.00 70.44 H new ATOM 0 HG21 THR A 67 11.884 -1.335 5.254 1.00 21.51 H new ATOM 0 HG22 THR A 67 10.756 -1.289 3.878 1.00 21.51 H new ATOM 0 HG23 THR A 67 10.213 -1.917 5.452 1.00 21.51 H new ATOM 961 N THR A 68 8.763 -2.783 2.334 1.00 24.24 N ATOM 962 CA THR A 68 8.339 -1.943 1.248 1.00 42.02 C ATOM 963 C THR A 68 8.500 -0.510 1.721 1.00 72.22 C ATOM 964 O THR A 68 7.861 -0.095 2.701 1.00 21.34 O ATOM 965 CB THR A 68 6.870 -2.202 0.870 1.00 31.43 C ATOM 966 OG1 THR A 68 6.687 -3.599 0.631 1.00 33.15 O ATOM 967 CG2 THR A 68 6.493 -1.425 -0.389 1.00 71.32 C ATOM 0 H THR A 68 8.054 -2.935 3.052 1.00 24.24 H new ATOM 0 HA THR A 68 8.937 -2.150 0.360 1.00 42.02 H new ATOM 0 HB THR A 68 6.233 -1.872 1.690 1.00 31.43 H new ATOM 0 HG1 THR A 68 7.038 -3.828 -0.255 1.00 33.15 H new ATOM 0 HG21 THR A 68 5.451 -1.622 -0.639 1.00 71.32 H new ATOM 0 HG22 THR A 68 6.629 -0.358 -0.212 1.00 71.32 H new ATOM 0 HG23 THR A 68 7.130 -1.740 -1.215 1.00 71.32 H new ATOM 975 N THR A 69 9.344 0.216 1.076 1.00 11.50 N ATOM 976 CA THR A 69 9.672 1.541 1.496 1.00 34.21 C ATOM 977 C THR A 69 9.014 2.607 0.610 1.00 24.45 C ATOM 978 O THR A 69 9.438 2.847 -0.526 1.00 55.35 O ATOM 979 CB THR A 69 11.214 1.708 1.573 1.00 71.34 C ATOM 980 OG1 THR A 69 11.869 0.658 0.809 1.00 62.13 O ATOM 981 CG2 THR A 69 11.692 1.648 3.015 1.00 22.11 C ATOM 0 H THR A 69 9.832 -0.091 0.235 1.00 11.50 H new ATOM 0 HA THR A 69 9.265 1.694 2.496 1.00 34.21 H new ATOM 0 HB THR A 69 11.470 2.681 1.155 1.00 71.34 H new ATOM 0 HG1 THR A 69 11.507 0.641 -0.101 1.00 62.13 H new ATOM 0 HG21 THR A 69 12.775 1.767 3.045 1.00 22.11 H new ATOM 0 HG22 THR A 69 11.223 2.448 3.587 1.00 22.11 H new ATOM 0 HG23 THR A 69 11.421 0.685 3.448 1.00 22.11 H new ATOM 989 N ALA A 70 7.944 3.211 1.111 1.00 23.23 N ATOM 990 CA ALA A 70 7.241 4.242 0.379 1.00 14.14 C ATOM 991 C ALA A 70 7.539 5.607 0.979 1.00 54.04 C ATOM 992 O ALA A 70 7.239 5.869 2.148 1.00 53.51 O ATOM 993 CB ALA A 70 5.743 3.976 0.366 1.00 4.13 C ATOM 0 H ALA A 70 7.547 2.999 2.026 1.00 23.23 H new ATOM 0 HA ALA A 70 7.591 4.230 -0.653 1.00 14.14 H new ATOM 0 HB1 ALA A 70 5.238 4.766 -0.191 1.00 4.13 H new ATOM 0 HB2 ALA A 70 5.548 3.015 -0.110 1.00 4.13 H new ATOM 0 HB3 ALA A 70 5.368 3.957 1.389 1.00 4.13 H new ATOM 999 N GLY A 71 8.144 6.457 0.190 1.00 43.30 N ATOM 1000 CA GLY A 71 8.500 7.772 0.641 1.00 62.35 C ATOM 1001 C GLY A 71 9.336 8.458 -0.394 1.00 21.21 C ATOM 1002 O GLY A 71 9.391 8.007 -1.525 1.00 73.21 O ATOM 0 H GLY A 71 8.401 6.257 -0.776 1.00 43.30 H new ATOM 0 HA2 GLY A 71 7.600 8.354 0.838 1.00 62.35 H new ATOM 0 HA3 GLY A 71 9.050 7.707 1.580 1.00 62.35 H new ATOM 1006 N ARG A 72 10.005 9.513 -0.012 1.00 11.24 N ATOM 1007 CA ARG A 72 10.865 10.260 -0.932 1.00 12.34 C ATOM 1008 C ARG A 72 12.323 10.066 -0.538 1.00 11.20 C ATOM 1009 O ARG A 72 13.199 10.842 -0.891 1.00 41.42 O ATOM 1010 CB ARG A 72 10.493 11.751 -0.959 1.00 2.21 C ATOM 1011 CG ARG A 72 10.459 12.423 0.402 1.00 42.33 C ATOM 1012 CD ARG A 72 10.276 13.925 0.283 1.00 3.41 C ATOM 1013 NE ARG A 72 9.042 14.319 -0.408 1.00 23.02 N ATOM 1014 CZ ARG A 72 8.700 15.592 -0.672 1.00 23.14 C ATOM 1015 NH1 ARG A 72 9.513 16.584 -0.310 1.00 14.42 N ATOM 1016 NH2 ARG A 72 7.553 15.870 -1.298 1.00 42.44 N ATOM 0 H ARG A 72 9.979 9.888 0.936 1.00 11.24 H new ATOM 0 HA ARG A 72 10.716 9.874 -1.941 1.00 12.34 H new ATOM 0 HB2 ARG A 72 11.208 12.278 -1.591 1.00 2.21 H new ATOM 0 HB3 ARG A 72 9.514 11.859 -1.426 1.00 2.21 H new ATOM 0 HG2 ARG A 72 9.646 12.003 0.995 1.00 42.33 H new ATOM 0 HG3 ARG A 72 11.385 12.211 0.936 1.00 42.33 H new ATOM 0 HD2 ARG A 72 10.277 14.362 1.282 1.00 3.41 H new ATOM 0 HD3 ARG A 72 11.129 14.344 -0.250 1.00 3.41 H new ATOM 0 HE ARG A 72 8.404 13.581 -0.706 1.00 23.02 H new ATOM 0 HH11 ARG A 72 10.391 16.376 0.166 1.00 14.42 H new ATOM 0 HH12 ARG A 72 9.257 17.551 -0.508 1.00 14.42 H new ATOM 0 HH21 ARG A 72 6.929 15.114 -1.579 1.00 42.44 H new ATOM 0 HH22 ARG A 72 7.301 16.839 -1.494 1.00 42.44 H new ATOM 1030 N HIS A 73 12.555 9.007 0.178 1.00 33.21 N ATOM 1031 CA HIS A 73 13.872 8.623 0.651 1.00 51.24 C ATOM 1032 C HIS A 73 14.607 7.816 -0.444 1.00 25.12 C ATOM 1033 O HIS A 73 13.962 7.357 -1.384 1.00 72.31 O ATOM 1034 CB HIS A 73 13.740 7.841 1.984 1.00 14.22 C ATOM 1035 CG HIS A 73 12.737 6.728 1.960 1.00 11.42 C ATOM 1036 ND1 HIS A 73 11.458 6.853 2.446 1.00 24.04 N ATOM 1037 CD2 HIS A 73 12.839 5.463 1.501 1.00 15.34 C ATOM 1038 CE1 HIS A 73 10.839 5.685 2.274 1.00 40.21 C ATOM 1039 NE2 HIS A 73 11.634 4.812 1.701 1.00 35.51 N ATOM 0 H HIS A 73 11.819 8.361 0.463 1.00 33.21 H new ATOM 0 HA HIS A 73 14.474 9.509 0.854 1.00 51.24 H new ATOM 0 HB2 HIS A 73 14.714 7.428 2.245 1.00 14.22 H new ATOM 0 HB3 HIS A 73 13.468 8.540 2.774 1.00 14.22 H new ATOM 0 HD1 HIS A 73 11.054 7.691 2.864 1.00 24.04 H new ATOM 0 HD2 HIS A 73 13.719 5.029 1.050 1.00 15.34 H new ATOM 0 HE1 HIS A 73 9.819 5.484 2.567 1.00 40.21 H new ATOM 1047 N PRO A 74 15.951 7.650 -0.347 1.00 43.34 N ATOM 1048 CA PRO A 74 16.774 6.991 -1.390 1.00 34.34 C ATOM 1049 C PRO A 74 16.277 5.614 -1.860 1.00 11.54 C ATOM 1050 O PRO A 74 16.280 5.336 -3.048 1.00 2.35 O ATOM 1051 CB PRO A 74 18.138 6.855 -0.722 1.00 0.21 C ATOM 1052 CG PRO A 74 18.193 7.996 0.222 1.00 35.32 C ATOM 1053 CD PRO A 74 16.805 8.123 0.768 1.00 23.54 C ATOM 0 HA PRO A 74 16.756 7.583 -2.305 1.00 34.34 H new ATOM 0 HB2 PRO A 74 18.234 5.902 -0.202 1.00 0.21 H new ATOM 0 HB3 PRO A 74 18.946 6.902 -1.452 1.00 0.21 H new ATOM 0 HG2 PRO A 74 18.914 7.813 1.019 1.00 35.32 H new ATOM 0 HG3 PRO A 74 18.502 8.911 -0.284 1.00 35.32 H new ATOM 0 HD2 PRO A 74 16.669 7.517 1.663 1.00 23.54 H new ATOM 0 HD3 PRO A 74 16.574 9.152 1.042 1.00 23.54 H new ATOM 1061 N GLU A 75 15.806 4.777 -0.958 1.00 55.13 N ATOM 1062 CA GLU A 75 15.387 3.427 -1.355 1.00 40.12 C ATOM 1063 C GLU A 75 13.894 3.318 -1.586 1.00 33.30 C ATOM 1064 O GLU A 75 13.317 2.249 -1.416 1.00 1.14 O ATOM 1065 CB GLU A 75 15.831 2.389 -0.344 1.00 62.32 C ATOM 1066 CG GLU A 75 17.325 2.260 -0.218 1.00 72.41 C ATOM 1067 CD GLU A 75 17.701 1.106 0.648 1.00 63.02 C ATOM 1068 OE1 GLU A 75 17.690 1.251 1.891 1.00 54.02 O ATOM 1069 OE2 GLU A 75 18.000 0.017 0.108 1.00 45.24 O ATOM 0 H GLU A 75 15.701 4.990 0.034 1.00 55.13 H new ATOM 0 HA GLU A 75 15.881 3.230 -2.307 1.00 40.12 H new ATOM 0 HB2 GLU A 75 15.415 2.644 0.631 1.00 62.32 H new ATOM 0 HB3 GLU A 75 15.415 1.421 -0.625 1.00 62.32 H new ATOM 0 HG2 GLU A 75 17.765 2.133 -1.207 1.00 72.41 H new ATOM 0 HG3 GLU A 75 17.737 3.179 0.199 1.00 72.41 H new ATOM 1076 N SER A 76 13.291 4.404 -2.011 1.00 4.55 N ATOM 1077 CA SER A 76 11.878 4.438 -2.304 1.00 75.54 C ATOM 1078 C SER A 76 11.503 3.382 -3.350 1.00 62.01 C ATOM 1079 O SER A 76 12.022 3.404 -4.474 1.00 53.24 O ATOM 1080 CB SER A 76 11.524 5.827 -2.830 1.00 62.52 C ATOM 1081 OG SER A 76 12.388 6.182 -3.919 1.00 24.03 O ATOM 0 H SER A 76 13.769 5.292 -2.164 1.00 4.55 H new ATOM 0 HA SER A 76 11.322 4.220 -1.392 1.00 75.54 H new ATOM 0 HB2 SER A 76 10.485 5.844 -3.160 1.00 62.52 H new ATOM 0 HB3 SER A 76 11.616 6.561 -2.029 1.00 62.52 H new ATOM 0 HG SER A 76 12.614 5.379 -4.433 1.00 24.03 H new ATOM 1087 N ASP A 77 10.673 2.434 -2.960 1.00 34.21 N ATOM 1088 CA ASP A 77 10.128 1.460 -3.896 1.00 41.33 C ATOM 1089 C ASP A 77 9.224 2.223 -4.819 1.00 74.31 C ATOM 1090 O ASP A 77 9.331 2.162 -6.047 1.00 23.43 O ATOM 1091 CB ASP A 77 9.330 0.360 -3.162 1.00 12.50 C ATOM 1092 CG ASP A 77 10.198 -0.616 -2.412 1.00 63.04 C ATOM 1093 OD1 ASP A 77 10.534 -0.355 -1.252 1.00 31.42 O ATOM 1094 OD2 ASP A 77 10.543 -1.679 -2.974 1.00 15.21 O ATOM 0 H ASP A 77 10.358 2.314 -1.997 1.00 34.21 H new ATOM 0 HA ASP A 77 10.931 0.959 -4.437 1.00 41.33 H new ATOM 0 HB2 ASP A 77 8.638 0.830 -2.463 1.00 12.50 H new ATOM 0 HB3 ASP A 77 8.728 -0.186 -3.888 1.00 12.50 H new ATOM 1099 N ILE A 78 8.373 2.991 -4.199 1.00 31.33 N ATOM 1100 CA ILE A 78 7.493 3.898 -4.866 1.00 45.31 C ATOM 1101 C ILE A 78 7.556 5.210 -4.123 1.00 63.31 C ATOM 1102 O ILE A 78 7.630 5.225 -2.876 1.00 12.02 O ATOM 1103 CB ILE A 78 6.010 3.398 -4.914 1.00 23.52 C ATOM 1104 CG1 ILE A 78 5.488 3.054 -3.500 1.00 14.54 C ATOM 1105 CG2 ILE A 78 5.861 2.210 -5.867 1.00 63.50 C ATOM 1106 CD1 ILE A 78 4.017 2.690 -3.444 1.00 43.21 C ATOM 0 H ILE A 78 8.272 3.000 -3.184 1.00 31.33 H new ATOM 0 HA ILE A 78 7.816 3.993 -5.903 1.00 45.31 H new ATOM 0 HB ILE A 78 5.397 4.212 -5.300 1.00 23.52 H new ATOM 0 HG12 ILE A 78 6.070 2.222 -3.104 1.00 14.54 H new ATOM 0 HG13 ILE A 78 5.663 3.907 -2.844 1.00 14.54 H new ATOM 0 HG21 ILE A 78 4.821 1.883 -5.881 1.00 63.50 H new ATOM 0 HG22 ILE A 78 6.161 2.509 -6.871 1.00 63.50 H new ATOM 0 HG23 ILE A 78 6.495 1.390 -5.528 1.00 63.50 H new ATOM 0 HD11 ILE A 78 3.737 2.464 -2.415 1.00 43.21 H new ATOM 0 HD12 ILE A 78 3.421 3.527 -3.807 1.00 43.21 H new ATOM 0 HD13 ILE A 78 3.834 1.817 -4.070 1.00 43.21 H new ATOM 1118 N PHE A 79 7.592 6.287 -4.830 1.00 50.24 N ATOM 1119 CA PHE A 79 7.599 7.558 -4.181 1.00 54.14 C ATOM 1120 C PHE A 79 6.228 8.170 -4.304 1.00 21.42 C ATOM 1121 O PHE A 79 5.725 8.372 -5.410 1.00 42.42 O ATOM 1122 CB PHE A 79 8.722 8.506 -4.713 1.00 62.25 C ATOM 1123 CG PHE A 79 8.589 8.979 -6.146 1.00 44.21 C ATOM 1124 CD1 PHE A 79 8.996 8.185 -7.197 1.00 42.23 C ATOM 1125 CD2 PHE A 79 8.064 10.234 -6.426 1.00 42.40 C ATOM 1126 CE1 PHE A 79 8.882 8.622 -8.502 1.00 50.15 C ATOM 1127 CE2 PHE A 79 7.947 10.675 -7.723 1.00 50.22 C ATOM 1128 CZ PHE A 79 8.356 9.869 -8.765 1.00 53.24 C ATOM 0 H PHE A 79 7.617 6.317 -5.849 1.00 50.24 H new ATOM 0 HA PHE A 79 7.835 7.411 -3.127 1.00 54.14 H new ATOM 0 HB2 PHE A 79 8.761 9.383 -4.067 1.00 62.25 H new ATOM 0 HB3 PHE A 79 9.678 7.992 -4.611 1.00 62.25 H new ATOM 0 HD1 PHE A 79 9.410 7.208 -6.997 1.00 42.23 H new ATOM 0 HD2 PHE A 79 7.744 10.871 -5.615 1.00 42.40 H new ATOM 0 HE1 PHE A 79 9.204 7.988 -9.315 1.00 50.15 H new ATOM 0 HE2 PHE A 79 7.535 11.652 -7.926 1.00 50.22 H new ATOM 0 HZ PHE A 79 8.264 10.214 -9.784 1.00 53.24 H new ATOM 1138 N LEU A 80 5.586 8.388 -3.192 1.00 41.21 N ATOM 1139 CA LEU A 80 4.297 9.018 -3.222 1.00 53.11 C ATOM 1140 C LEU A 80 4.493 10.487 -3.486 1.00 1.24 C ATOM 1141 O LEU A 80 5.053 11.204 -2.653 1.00 30.51 O ATOM 1142 CB LEU A 80 3.439 8.762 -1.942 1.00 52.24 C ATOM 1143 CG LEU A 80 3.886 9.333 -0.578 1.00 2.41 C ATOM 1144 CD1 LEU A 80 2.788 9.135 0.442 1.00 61.11 C ATOM 1145 CD2 LEU A 80 5.168 8.693 -0.072 1.00 21.10 C ATOM 0 H LEU A 80 5.929 8.142 -2.263 1.00 41.21 H new ATOM 0 HA LEU A 80 3.717 8.567 -4.027 1.00 53.11 H new ATOM 0 HB2 LEU A 80 2.439 9.147 -2.141 1.00 52.24 H new ATOM 0 HB3 LEU A 80 3.347 7.682 -1.826 1.00 52.24 H new ATOM 0 HG LEU A 80 4.084 10.395 -0.722 1.00 2.41 H new ATOM 0 HD11 LEU A 80 3.107 9.539 1.403 1.00 61.11 H new ATOM 0 HD12 LEU A 80 1.887 9.652 0.112 1.00 61.11 H new ATOM 0 HD13 LEU A 80 2.577 8.071 0.548 1.00 61.11 H new ATOM 0 HD21 LEU A 80 5.438 9.130 0.889 1.00 21.10 H new ATOM 0 HD22 LEU A 80 5.017 7.620 0.047 1.00 21.10 H new ATOM 0 HD23 LEU A 80 5.970 8.869 -0.789 1.00 21.10 H new ATOM 1157 N ASP A 81 4.082 10.946 -4.641 1.00 3.43 N ATOM 1158 CA ASP A 81 4.376 12.309 -4.993 1.00 44.10 C ATOM 1159 C ASP A 81 3.354 13.285 -4.456 1.00 3.04 C ATOM 1160 O ASP A 81 2.446 13.724 -5.159 1.00 20.14 O ATOM 1161 CB ASP A 81 4.614 12.513 -6.490 1.00 22.41 C ATOM 1162 CG ASP A 81 5.200 13.885 -6.785 1.00 73.42 C ATOM 1163 OD1 ASP A 81 6.443 14.037 -6.710 1.00 74.10 O ATOM 1164 OD2 ASP A 81 4.449 14.834 -7.089 1.00 15.22 O ATOM 0 H ASP A 81 3.558 10.413 -5.335 1.00 3.43 H new ATOM 0 HA ASP A 81 5.322 12.529 -4.499 1.00 44.10 H new ATOM 0 HB2 ASP A 81 5.290 11.742 -6.859 1.00 22.41 H new ATOM 0 HB3 ASP A 81 3.673 12.396 -7.027 1.00 22.41 H new ATOM 1169 N ASP A 82 3.420 13.501 -3.183 1.00 51.12 N ATOM 1170 CA ASP A 82 2.647 14.553 -2.552 1.00 73.41 C ATOM 1171 C ASP A 82 3.605 15.538 -1.883 1.00 34.35 C ATOM 1172 O ASP A 82 4.711 15.163 -1.467 1.00 42.40 O ATOM 1173 CB ASP A 82 1.624 14.004 -1.544 1.00 52.14 C ATOM 1174 CG ASP A 82 0.714 15.095 -0.994 1.00 51.21 C ATOM 1175 OD1 ASP A 82 -0.334 15.381 -1.602 1.00 53.41 O ATOM 1176 OD2 ASP A 82 1.041 15.696 0.050 1.00 73.52 O ATOM 0 H ASP A 82 4.004 12.964 -2.542 1.00 51.12 H new ATOM 0 HA ASP A 82 2.069 15.065 -3.321 1.00 73.41 H new ATOM 0 HB2 ASP A 82 1.018 13.237 -2.026 1.00 52.14 H new ATOM 0 HB3 ASP A 82 2.151 13.523 -0.720 1.00 52.14 H new ATOM 1181 N VAL A 83 3.195 16.783 -1.793 1.00 25.24 N ATOM 1182 CA VAL A 83 4.025 17.854 -1.252 1.00 2.20 C ATOM 1183 C VAL A 83 4.170 17.764 0.289 1.00 5.03 C ATOM 1184 O VAL A 83 5.134 18.282 0.864 1.00 71.34 O ATOM 1185 CB VAL A 83 3.444 19.255 -1.660 1.00 41.33 C ATOM 1186 CG1 VAL A 83 2.089 19.519 -1.016 1.00 42.13 C ATOM 1187 CG2 VAL A 83 4.414 20.391 -1.365 1.00 54.04 C ATOM 0 H VAL A 83 2.270 17.091 -2.094 1.00 25.24 H new ATOM 0 HA VAL A 83 5.021 17.736 -1.680 1.00 2.20 H new ATOM 0 HB VAL A 83 3.299 19.221 -2.740 1.00 41.33 H new ATOM 0 HG11 VAL A 83 1.724 20.498 -1.325 1.00 42.13 H new ATOM 0 HG12 VAL A 83 1.381 18.752 -1.330 1.00 42.13 H new ATOM 0 HG13 VAL A 83 2.191 19.496 0.069 1.00 42.13 H new ATOM 0 HG21 VAL A 83 3.966 21.339 -1.665 1.00 54.04 H new ATOM 0 HG22 VAL A 83 4.633 20.415 -0.297 1.00 54.04 H new ATOM 0 HG23 VAL A 83 5.338 20.234 -1.921 1.00 54.04 H new ATOM 1197 N THR A 84 3.264 17.062 0.938 1.00 64.51 N ATOM 1198 CA THR A 84 3.229 17.046 2.389 1.00 42.40 C ATOM 1199 C THR A 84 4.113 15.908 2.980 1.00 30.30 C ATOM 1200 O THR A 84 4.150 15.697 4.193 1.00 74.41 O ATOM 1201 CB THR A 84 1.766 16.897 2.877 1.00 20.03 C ATOM 1202 OG1 THR A 84 0.879 17.589 1.959 1.00 33.32 O ATOM 1203 CG2 THR A 84 1.597 17.513 4.256 1.00 23.23 C ATOM 0 H THR A 84 2.544 16.497 0.488 1.00 64.51 H new ATOM 0 HA THR A 84 3.638 17.992 2.743 1.00 42.40 H new ATOM 0 HB THR A 84 1.525 15.835 2.920 1.00 20.03 H new ATOM 0 HG1 THR A 84 0.716 17.025 1.174 1.00 33.32 H new ATOM 0 HG21 THR A 84 0.563 17.398 4.581 1.00 23.23 H new ATOM 0 HG22 THR A 84 2.258 17.010 4.962 1.00 23.23 H new ATOM 0 HG23 THR A 84 1.849 18.573 4.215 1.00 23.23 H new ATOM 1211 N VAL A 85 4.853 15.231 2.128 1.00 25.35 N ATOM 1212 CA VAL A 85 5.697 14.122 2.560 1.00 62.41 C ATOM 1213 C VAL A 85 7.013 14.670 3.111 1.00 14.34 C ATOM 1214 O VAL A 85 7.590 15.608 2.548 1.00 23.41 O ATOM 1215 CB VAL A 85 5.988 13.150 1.382 1.00 40.33 C ATOM 1216 CG1 VAL A 85 6.815 11.949 1.836 1.00 4.52 C ATOM 1217 CG2 VAL A 85 4.691 12.688 0.745 1.00 41.15 C ATOM 0 H VAL A 85 4.892 15.425 1.127 1.00 25.35 H new ATOM 0 HA VAL A 85 5.170 13.569 3.337 1.00 62.41 H new ATOM 0 HB VAL A 85 6.573 13.694 0.640 1.00 40.33 H new ATOM 0 HG11 VAL A 85 6.999 11.292 0.986 1.00 4.52 H new ATOM 0 HG12 VAL A 85 7.767 12.294 2.240 1.00 4.52 H new ATOM 0 HG13 VAL A 85 6.271 11.403 2.606 1.00 4.52 H new ATOM 0 HG21 VAL A 85 4.912 12.008 -0.078 1.00 41.15 H new ATOM 0 HG22 VAL A 85 4.084 12.172 1.489 1.00 41.15 H new ATOM 0 HG23 VAL A 85 4.144 13.551 0.366 1.00 41.15 H new ATOM 1227 N SER A 86 7.465 14.116 4.216 1.00 42.11 N ATOM 1228 CA SER A 86 8.680 14.570 4.858 1.00 41.24 C ATOM 1229 C SER A 86 9.933 13.894 4.271 1.00 42.24 C ATOM 1230 O SER A 86 10.719 14.524 3.550 1.00 14.14 O ATOM 1231 CB SER A 86 8.569 14.340 6.363 1.00 62.11 C ATOM 1232 OG SER A 86 8.132 13.010 6.634 1.00 2.04 O ATOM 0 H SER A 86 7.003 13.342 4.693 1.00 42.11 H new ATOM 0 HA SER A 86 8.796 15.637 4.668 1.00 41.24 H new ATOM 0 HB2 SER A 86 9.535 14.515 6.836 1.00 62.11 H new ATOM 0 HB3 SER A 86 7.869 15.054 6.795 1.00 62.11 H new ATOM 0 HG SER A 86 8.068 12.878 7.603 1.00 2.04 H new ATOM 1238 N ARG A 87 10.100 12.617 4.557 1.00 74.34 N ATOM 1239 CA ARG A 87 11.250 11.854 4.090 1.00 72.52 C ATOM 1240 C ARG A 87 10.792 10.415 3.932 1.00 51.24 C ATOM 1241 O ARG A 87 10.706 9.875 2.819 1.00 74.01 O ATOM 1242 CB ARG A 87 12.389 11.933 5.128 1.00 44.52 C ATOM 1243 CG ARG A 87 13.747 11.448 4.631 1.00 33.03 C ATOM 1244 CD ARG A 87 14.348 12.428 3.631 1.00 23.43 C ATOM 1245 NE ARG A 87 14.597 13.743 4.245 1.00 0.44 N ATOM 1246 CZ ARG A 87 15.181 14.785 3.644 1.00 34.42 C ATOM 1247 NH1 ARG A 87 15.482 14.732 2.347 1.00 2.23 N ATOM 1248 NH2 ARG A 87 15.436 15.884 4.338 1.00 53.43 N ATOM 0 H ARG A 87 9.444 12.076 5.120 1.00 74.34 H new ATOM 0 HA ARG A 87 11.625 12.250 3.146 1.00 72.52 H new ATOM 0 HB2 ARG A 87 12.488 12.967 5.459 1.00 44.52 H new ATOM 0 HB3 ARG A 87 12.107 11.344 6.001 1.00 44.52 H new ATOM 0 HG2 ARG A 87 14.424 11.325 5.476 1.00 33.03 H new ATOM 0 HG3 ARG A 87 13.638 10.469 4.165 1.00 33.03 H new ATOM 0 HD2 ARG A 87 15.283 12.024 3.242 1.00 23.43 H new ATOM 0 HD3 ARG A 87 13.673 12.543 2.783 1.00 23.43 H new ATOM 0 HE ARG A 87 14.298 13.870 5.212 1.00 0.44 H new ATOM 0 HH11 ARG A 87 15.267 13.894 1.807 1.00 2.23 H new ATOM 0 HH12 ARG A 87 15.927 15.530 1.894 1.00 2.23 H new ATOM 0 HH21 ARG A 87 15.187 15.933 5.326 1.00 53.43 H new ATOM 0 HH22 ARG A 87 15.881 16.682 3.884 1.00 53.43 H new ATOM 1262 N ARG A 88 10.487 9.816 5.048 1.00 71.32 N ATOM 1263 CA ARG A 88 9.870 8.525 5.086 1.00 45.11 C ATOM 1264 C ARG A 88 8.412 8.766 5.238 1.00 43.14 C ATOM 1265 O ARG A 88 8.018 9.909 5.529 1.00 14.01 O ATOM 1266 CB ARG A 88 10.392 7.682 6.236 1.00 32.44 C ATOM 1267 CG ARG A 88 11.767 7.098 6.018 1.00 71.40 C ATOM 1268 CD ARG A 88 12.123 6.180 7.160 1.00 31.03 C ATOM 1269 NE ARG A 88 13.308 5.369 6.880 1.00 53.44 N ATOM 1270 CZ ARG A 88 13.413 4.067 7.176 1.00 20.03 C ATOM 1271 NH1 ARG A 88 12.339 3.387 7.584 1.00 34.12 N ATOM 1272 NH2 ARG A 88 14.567 3.429 6.996 1.00 33.20 N ATOM 0 H ARG A 88 10.663 10.218 5.969 1.00 71.32 H new ATOM 0 HA ARG A 88 10.096 7.969 4.176 1.00 45.11 H new ATOM 0 HB2 ARG A 88 10.411 8.294 7.138 1.00 32.44 H new ATOM 0 HB3 ARG A 88 9.691 6.867 6.419 1.00 32.44 H new ATOM 0 HG2 ARG A 88 11.793 6.549 5.077 1.00 71.40 H new ATOM 0 HG3 ARG A 88 12.503 7.898 5.940 1.00 71.40 H new ATOM 0 HD2 ARG A 88 12.297 6.773 8.058 1.00 31.03 H new ATOM 0 HD3 ARG A 88 11.279 5.523 7.370 1.00 31.03 H new ATOM 0 HE ARG A 88 14.104 5.823 6.432 1.00 53.44 H new ATOM 0 HH11 ARG A 88 11.439 3.859 7.670 1.00 34.12 H new ATOM 0 HH12 ARG A 88 12.419 2.395 7.810 1.00 34.12 H new ATOM 0 HH21 ARG A 88 15.376 3.932 6.631 1.00 33.20 H new ATOM 0 HH22 ARG A 88 14.642 2.437 7.223 1.00 33.20 H new ATOM 1286 N HIS A 89 7.611 7.769 5.058 1.00 64.11 N ATOM 1287 CA HIS A 89 6.204 7.991 5.139 1.00 65.15 C ATOM 1288 C HIS A 89 5.519 6.738 5.591 1.00 10.24 C ATOM 1289 O HIS A 89 5.069 6.651 6.718 1.00 23.10 O ATOM 1290 CB HIS A 89 5.640 8.474 3.792 1.00 15.10 C ATOM 1291 CG HIS A 89 4.296 9.114 3.914 1.00 45.31 C ATOM 1292 ND1 HIS A 89 4.156 10.467 3.814 1.00 62.11 N ATOM 1293 CD2 HIS A 89 3.089 8.556 4.161 1.00 61.41 C ATOM 1294 CE1 HIS A 89 2.883 10.709 4.008 1.00 34.41 C ATOM 1295 NE2 HIS A 89 2.189 9.583 4.227 1.00 73.13 N ATOM 0 H HIS A 89 7.897 6.811 4.858 1.00 64.11 H new ATOM 0 HA HIS A 89 6.016 8.777 5.870 1.00 65.15 H new ATOM 0 HB2 HIS A 89 6.336 9.186 3.348 1.00 15.10 H new ATOM 0 HB3 HIS A 89 5.572 7.627 3.109 1.00 15.10 H new ATOM 0 HD2 HIS A 89 2.877 7.504 4.282 1.00 61.41 H new ATOM 0 HE1 HIS A 89 2.446 11.696 3.993 1.00 34.41 H new ATOM 0 HE2 HIS A 89 1.188 9.508 4.407 1.00 73.13 H new ATOM 1303 N ALA A 90 5.483 5.759 4.741 1.00 50.41 N ATOM 1304 CA ALA A 90 4.820 4.541 5.064 1.00 21.30 C ATOM 1305 C ALA A 90 5.686 3.379 4.702 1.00 1.33 C ATOM 1306 O ALA A 90 5.859 3.051 3.516 1.00 31.13 O ATOM 1307 CB ALA A 90 3.469 4.452 4.364 1.00 73.14 C ATOM 0 H ALA A 90 5.908 5.783 3.814 1.00 50.41 H new ATOM 0 HA ALA A 90 4.636 4.519 6.138 1.00 21.30 H new ATOM 0 HB1 ALA A 90 2.984 3.512 4.628 1.00 73.14 H new ATOM 0 HB2 ALA A 90 2.841 5.286 4.678 1.00 73.14 H new ATOM 0 HB3 ALA A 90 3.615 4.494 3.285 1.00 73.14 H new ATOM 1313 N GLU A 91 6.276 2.783 5.686 1.00 52.51 N ATOM 1314 CA GLU A 91 7.066 1.630 5.439 1.00 70.14 C ATOM 1315 C GLU A 91 6.321 0.398 5.863 1.00 61.35 C ATOM 1316 O GLU A 91 5.741 0.337 6.960 1.00 64.35 O ATOM 1317 CB GLU A 91 8.451 1.656 6.108 1.00 73.20 C ATOM 1318 CG GLU A 91 9.391 2.767 5.656 1.00 2.53 C ATOM 1319 CD GLU A 91 9.216 4.049 6.419 1.00 5.23 C ATOM 1320 OE1 GLU A 91 9.700 4.094 7.598 1.00 41.52 O ATOM 1321 OE2 GLU A 91 8.671 5.027 5.866 1.00 4.00 O ATOM 0 H GLU A 91 6.225 3.076 6.662 1.00 52.51 H new ATOM 0 HA GLU A 91 7.250 1.620 4.365 1.00 70.14 H new ATOM 0 HB2 GLU A 91 8.310 1.742 7.185 1.00 73.20 H new ATOM 0 HB3 GLU A 91 8.939 0.698 5.926 1.00 73.20 H new ATOM 0 HG2 GLU A 91 10.421 2.427 5.764 1.00 2.53 H new ATOM 0 HG3 GLU A 91 9.229 2.960 4.596 1.00 2.53 H new ATOM 1328 N PHE A 92 6.307 -0.565 5.010 1.00 50.31 N ATOM 1329 CA PHE A 92 5.722 -1.824 5.326 1.00 35.30 C ATOM 1330 C PHE A 92 6.862 -2.693 5.750 1.00 63.31 C ATOM 1331 O PHE A 92 7.734 -3.010 4.950 1.00 71.21 O ATOM 1332 CB PHE A 92 5.027 -2.444 4.103 1.00 65.15 C ATOM 1333 CG PHE A 92 3.917 -1.606 3.498 1.00 41.14 C ATOM 1334 CD1 PHE A 92 4.202 -0.466 2.753 1.00 14.21 C ATOM 1335 CD2 PHE A 92 2.591 -1.964 3.676 1.00 1.11 C ATOM 1336 CE1 PHE A 92 3.191 0.292 2.202 1.00 42.45 C ATOM 1337 CE2 PHE A 92 1.575 -1.207 3.124 1.00 53.35 C ATOM 1338 CZ PHE A 92 1.876 -0.079 2.389 1.00 2.31 C ATOM 0 H PHE A 92 6.701 -0.504 4.071 1.00 50.31 H new ATOM 0 HA PHE A 92 4.961 -1.718 6.100 1.00 35.30 H new ATOM 0 HB2 PHE A 92 5.778 -2.633 3.335 1.00 65.15 H new ATOM 0 HB3 PHE A 92 4.615 -3.411 4.391 1.00 65.15 H new ATOM 0 HD1 PHE A 92 5.230 -0.171 2.604 1.00 14.21 H new ATOM 0 HD2 PHE A 92 2.348 -2.844 4.253 1.00 1.11 H new ATOM 0 HE1 PHE A 92 3.428 1.174 1.625 1.00 42.45 H new ATOM 0 HE2 PHE A 92 0.545 -1.499 3.268 1.00 53.35 H new ATOM 0 HZ PHE A 92 1.082 0.514 1.960 1.00 2.31 H new ATOM 1348 N ARG A 93 6.887 -3.039 6.986 1.00 12.22 N ATOM 1349 CA ARG A 93 7.976 -3.797 7.519 1.00 55.05 C ATOM 1350 C ARG A 93 7.404 -5.084 8.000 1.00 23.10 C ATOM 1351 O ARG A 93 6.577 -5.103 8.930 1.00 35.04 O ATOM 1352 CB ARG A 93 8.647 -3.031 8.664 1.00 33.33 C ATOM 1353 CG ARG A 93 9.048 -1.605 8.300 1.00 73.33 C ATOM 1354 CD ARG A 93 9.657 -0.885 9.481 1.00 74.50 C ATOM 1355 NE ARG A 93 9.805 0.560 9.241 1.00 32.21 N ATOM 1356 CZ ARG A 93 9.770 1.474 10.213 1.00 40.33 C ATOM 1357 NH1 ARG A 93 9.795 1.075 11.485 1.00 13.32 N ATOM 1358 NH2 ARG A 93 9.730 2.785 9.931 1.00 74.14 N ATOM 0 H ARG A 93 6.158 -2.809 7.661 1.00 12.22 H new ATOM 0 HA ARG A 93 8.742 -3.976 6.764 1.00 55.05 H new ATOM 0 HB2 ARG A 93 7.967 -3.001 9.516 1.00 33.33 H new ATOM 0 HB3 ARG A 93 9.534 -3.578 8.983 1.00 33.33 H new ATOM 0 HG2 ARG A 93 9.762 -1.625 7.477 1.00 73.33 H new ATOM 0 HG3 ARG A 93 8.173 -1.057 7.950 1.00 73.33 H new ATOM 0 HD2 ARG A 93 9.033 -1.043 10.361 1.00 74.50 H new ATOM 0 HD3 ARG A 93 10.634 -1.316 9.702 1.00 74.50 H new ATOM 0 HE ARG A 93 9.941 0.879 8.282 1.00 32.21 H new ATOM 0 HH11 ARG A 93 9.840 0.080 11.707 1.00 13.32 H new ATOM 0 HH12 ARG A 93 9.769 1.764 12.236 1.00 13.32 H new ATOM 0 HH21 ARG A 93 9.726 3.098 8.960 1.00 74.14 H new ATOM 0 HH22 ARG A 93 9.704 3.469 10.687 1.00 74.14 H new ATOM 1372 N ILE A 94 7.795 -6.156 7.392 1.00 1.20 N ATOM 1373 CA ILE A 94 7.170 -7.397 7.687 1.00 71.34 C ATOM 1374 C ILE A 94 8.134 -8.372 8.322 1.00 41.34 C ATOM 1375 O ILE A 94 9.344 -8.373 8.025 1.00 51.14 O ATOM 1376 CB ILE A 94 6.438 -8.004 6.410 1.00 11.33 C ATOM 1377 CG1 ILE A 94 7.400 -8.460 5.274 1.00 14.13 C ATOM 1378 CG2 ILE A 94 5.455 -6.988 5.836 1.00 31.00 C ATOM 1379 CD1 ILE A 94 8.030 -9.837 5.458 1.00 62.23 C ATOM 0 H ILE A 94 8.538 -6.195 6.694 1.00 1.20 H new ATOM 0 HA ILE A 94 6.393 -7.205 8.427 1.00 71.34 H new ATOM 0 HB ILE A 94 5.925 -8.896 6.769 1.00 11.33 H new ATOM 0 HG12 ILE A 94 6.850 -8.454 4.333 1.00 14.13 H new ATOM 0 HG13 ILE A 94 8.199 -7.724 5.181 1.00 14.13 H new ATOM 0 HG21 ILE A 94 4.960 -7.414 4.963 1.00 31.00 H new ATOM 0 HG22 ILE A 94 4.709 -6.738 6.590 1.00 31.00 H new ATOM 0 HG23 ILE A 94 5.993 -6.086 5.544 1.00 31.00 H new ATOM 0 HD11 ILE A 94 8.681 -10.055 4.611 1.00 62.23 H new ATOM 0 HD12 ILE A 94 8.614 -9.850 6.378 1.00 62.23 H new ATOM 0 HD13 ILE A 94 7.245 -10.591 5.516 1.00 62.23 H new ATOM 1391 N ASN A 95 7.609 -9.123 9.247 1.00 12.20 N ATOM 1392 CA ASN A 95 8.310 -10.171 9.920 1.00 42.11 C ATOM 1393 C ASN A 95 7.572 -11.419 9.576 1.00 53.43 C ATOM 1394 O ASN A 95 6.365 -11.353 9.350 1.00 13.33 O ATOM 1395 CB ASN A 95 8.303 -9.982 11.445 1.00 43.02 C ATOM 1396 CG ASN A 95 9.226 -10.966 12.159 1.00 24.51 C ATOM 1397 OD1 ASN A 95 10.267 -11.360 11.634 1.00 31.41 O ATOM 1398 ND2 ASN A 95 8.843 -11.397 13.324 1.00 52.02 N ATOM 0 H ASN A 95 6.645 -9.016 9.563 1.00 12.20 H new ATOM 0 HA ASN A 95 9.356 -10.191 9.613 1.00 42.11 H new ATOM 0 HB2 ASN A 95 8.609 -8.963 11.683 1.00 43.02 H new ATOM 0 HB3 ASN A 95 7.287 -10.105 11.819 1.00 43.02 H new ATOM 0 HD21 ASN A 95 9.410 -12.079 13.827 1.00 52.02 H new ATOM 0 HD22 ASN A 95 7.975 -11.053 13.735 1.00 52.02 H new ATOM 1405 N GLU A 96 8.274 -12.525 9.461 1.00 41.12 N ATOM 1406 CA GLU A 96 7.666 -13.819 9.117 1.00 12.32 C ATOM 1407 C GLU A 96 6.427 -14.137 9.982 1.00 23.23 C ATOM 1408 O GLU A 96 5.481 -14.764 9.514 1.00 30.33 O ATOM 1409 CB GLU A 96 8.698 -14.935 9.246 1.00 34.24 C ATOM 1410 CG GLU A 96 9.324 -15.027 10.622 1.00 65.40 C ATOM 1411 CD GLU A 96 10.257 -16.180 10.753 1.00 71.51 C ATOM 1412 OE1 GLU A 96 9.799 -17.295 11.031 1.00 25.35 O ATOM 1413 OE2 GLU A 96 11.474 -15.988 10.621 1.00 11.24 O ATOM 0 H GLU A 96 9.284 -12.567 9.601 1.00 41.12 H new ATOM 0 HA GLU A 96 7.328 -13.751 8.083 1.00 12.32 H new ATOM 0 HB2 GLU A 96 8.223 -15.887 9.008 1.00 34.24 H new ATOM 0 HB3 GLU A 96 9.485 -14.778 8.508 1.00 34.24 H new ATOM 0 HG2 GLU A 96 9.862 -14.103 10.834 1.00 65.40 H new ATOM 0 HG3 GLU A 96 8.536 -15.116 11.370 1.00 65.40 H new ATOM 1420 N GLY A 97 6.443 -13.692 11.224 1.00 64.43 N ATOM 1421 CA GLY A 97 5.332 -13.923 12.099 1.00 62.11 C ATOM 1422 C GLY A 97 4.242 -12.876 11.953 1.00 35.03 C ATOM 1423 O GLY A 97 3.068 -13.215 11.805 1.00 32.54 O ATOM 0 H GLY A 97 7.215 -13.171 11.640 1.00 64.43 H new ATOM 0 HA2 GLY A 97 4.913 -14.908 11.895 1.00 62.11 H new ATOM 0 HA3 GLY A 97 5.684 -13.934 13.131 1.00 62.11 H new ATOM 1427 N GLU A 98 4.616 -11.613 11.964 1.00 34.04 N ATOM 1428 CA GLU A 98 3.652 -10.551 11.890 1.00 51.04 C ATOM 1429 C GLU A 98 4.037 -9.481 10.876 1.00 3.25 C ATOM 1430 O GLU A 98 5.174 -8.981 10.855 1.00 33.13 O ATOM 1431 CB GLU A 98 3.338 -9.929 13.267 1.00 43.24 C ATOM 1432 CG GLU A 98 4.527 -9.387 14.070 1.00 20.30 C ATOM 1433 CD GLU A 98 5.379 -10.461 14.713 1.00 32.01 C ATOM 1434 OE1 GLU A 98 5.105 -10.838 15.878 1.00 31.22 O ATOM 1435 OE2 GLU A 98 6.355 -10.923 14.095 1.00 35.21 O ATOM 0 H GLU A 98 5.586 -11.303 12.024 1.00 34.04 H new ATOM 0 HA GLU A 98 2.733 -11.018 11.535 1.00 51.04 H new ATOM 0 HB2 GLU A 98 2.630 -9.114 13.118 1.00 43.24 H new ATOM 0 HB3 GLU A 98 2.834 -10.682 13.873 1.00 43.24 H new ATOM 0 HG2 GLU A 98 5.154 -8.787 13.410 1.00 20.30 H new ATOM 0 HG3 GLU A 98 4.153 -8.721 14.847 1.00 20.30 H new ATOM 1442 N PHE A 99 3.086 -9.136 10.052 1.00 42.33 N ATOM 1443 CA PHE A 99 3.255 -8.155 9.001 1.00 72.22 C ATOM 1444 C PHE A 99 2.671 -6.827 9.488 1.00 21.01 C ATOM 1445 O PHE A 99 1.497 -6.774 9.896 1.00 10.13 O ATOM 1446 CB PHE A 99 2.515 -8.628 7.725 1.00 71.23 C ATOM 1447 CG PHE A 99 3.020 -9.933 7.111 1.00 70.04 C ATOM 1448 CD1 PHE A 99 2.902 -11.142 7.788 1.00 70.24 C ATOM 1449 CD2 PHE A 99 3.604 -9.942 5.857 1.00 34.35 C ATOM 1450 CE1 PHE A 99 3.358 -12.320 7.231 1.00 64.53 C ATOM 1451 CE2 PHE A 99 4.063 -11.119 5.291 1.00 40.54 C ATOM 1452 CZ PHE A 99 3.940 -12.310 5.980 1.00 40.35 C ATOM 0 H PHE A 99 2.148 -9.535 10.089 1.00 42.33 H new ATOM 0 HA PHE A 99 4.311 -8.030 8.762 1.00 72.22 H new ATOM 0 HB2 PHE A 99 1.458 -8.745 7.963 1.00 71.23 H new ATOM 0 HB3 PHE A 99 2.587 -7.842 6.973 1.00 71.23 H new ATOM 0 HD1 PHE A 99 2.446 -11.160 8.767 1.00 70.24 H new ATOM 0 HD2 PHE A 99 3.703 -9.016 5.311 1.00 34.35 H new ATOM 0 HE1 PHE A 99 3.259 -13.248 7.774 1.00 64.53 H new ATOM 0 HE2 PHE A 99 4.517 -11.106 4.311 1.00 40.54 H new ATOM 0 HZ PHE A 99 4.298 -13.230 5.541 1.00 40.35 H new ATOM 1462 N GLU A 100 3.468 -5.776 9.467 1.00 41.44 N ATOM 1463 CA GLU A 100 3.038 -4.487 9.988 1.00 23.54 C ATOM 1464 C GLU A 100 3.257 -3.343 9.036 1.00 60.15 C ATOM 1465 O GLU A 100 4.305 -3.236 8.379 1.00 10.33 O ATOM 1466 CB GLU A 100 3.697 -4.179 11.316 1.00 25.43 C ATOM 1467 CG GLU A 100 3.161 -4.992 12.455 1.00 2.44 C ATOM 1468 CD GLU A 100 3.909 -4.741 13.726 1.00 22.05 C ATOM 1469 OE1 GLU A 100 3.630 -3.737 14.412 1.00 4.33 O ATOM 1470 OE2 GLU A 100 4.797 -5.548 14.079 1.00 21.12 O ATOM 0 H GLU A 100 4.418 -5.787 9.095 1.00 41.44 H new ATOM 0 HA GLU A 100 1.961 -4.583 10.128 1.00 23.54 H new ATOM 0 HB2 GLU A 100 4.769 -4.354 11.229 1.00 25.43 H new ATOM 0 HB3 GLU A 100 3.564 -3.121 11.541 1.00 25.43 H new ATOM 0 HG2 GLU A 100 2.107 -4.757 12.603 1.00 2.44 H new ATOM 0 HG3 GLU A 100 3.220 -6.051 12.203 1.00 2.44 H new ATOM 1477 N VAL A 101 2.267 -2.509 8.953 1.00 65.12 N ATOM 1478 CA VAL A 101 2.349 -1.303 8.152 1.00 62.55 C ATOM 1479 C VAL A 101 2.377 -0.092 9.083 1.00 32.14 C ATOM 1480 O VAL A 101 1.465 0.106 9.899 1.00 13.13 O ATOM 1481 CB VAL A 101 1.189 -1.193 7.093 1.00 24.40 C ATOM 1482 CG1 VAL A 101 -0.189 -1.390 7.724 1.00 53.45 C ATOM 1483 CG2 VAL A 101 1.249 0.149 6.362 1.00 30.33 C ATOM 0 H VAL A 101 1.376 -2.635 9.433 1.00 65.12 H new ATOM 0 HA VAL A 101 3.270 -1.340 7.570 1.00 62.55 H new ATOM 0 HB VAL A 101 1.338 -1.998 6.373 1.00 24.40 H new ATOM 0 HG11 VAL A 101 -0.957 -1.305 6.955 1.00 53.45 H new ATOM 0 HG12 VAL A 101 -0.242 -2.378 8.182 1.00 53.45 H new ATOM 0 HG13 VAL A 101 -0.353 -0.628 8.486 1.00 53.45 H new ATOM 0 HG21 VAL A 101 0.439 0.204 5.635 1.00 30.33 H new ATOM 0 HG22 VAL A 101 1.146 0.961 7.082 1.00 30.33 H new ATOM 0 HG23 VAL A 101 2.205 0.240 5.847 1.00 30.33 H new ATOM 1493 N VAL A 102 3.445 0.666 9.020 1.00 44.21 N ATOM 1494 CA VAL A 102 3.595 1.811 9.886 1.00 25.11 C ATOM 1495 C VAL A 102 3.744 3.128 9.122 1.00 53.44 C ATOM 1496 O VAL A 102 4.638 3.273 8.279 1.00 61.52 O ATOM 1497 CB VAL A 102 4.767 1.634 10.912 1.00 11.43 C ATOM 1498 CG1 VAL A 102 4.455 0.516 11.894 1.00 22.45 C ATOM 1499 CG2 VAL A 102 6.094 1.345 10.212 1.00 21.43 C ATOM 0 H VAL A 102 4.223 0.511 8.379 1.00 44.21 H new ATOM 0 HA VAL A 102 2.662 1.868 10.446 1.00 25.11 H new ATOM 0 HB VAL A 102 4.865 2.575 11.453 1.00 11.43 H new ATOM 0 HG11 VAL A 102 5.281 0.409 12.598 1.00 22.45 H new ATOM 0 HG12 VAL A 102 3.542 0.755 12.439 1.00 22.45 H new ATOM 0 HG13 VAL A 102 4.319 -0.419 11.350 1.00 22.45 H new ATOM 0 HG21 VAL A 102 6.881 1.229 10.957 1.00 21.43 H new ATOM 0 HG22 VAL A 102 6.006 0.427 9.631 1.00 21.43 H new ATOM 0 HG23 VAL A 102 6.343 2.173 9.548 1.00 21.43 H new ATOM 1509 N ASP A 103 2.842 4.053 9.363 1.00 12.41 N ATOM 1510 CA ASP A 103 3.013 5.396 8.876 1.00 23.45 C ATOM 1511 C ASP A 103 3.864 6.174 9.854 1.00 21.52 C ATOM 1512 O ASP A 103 3.572 6.227 11.059 1.00 63.42 O ATOM 1513 CB ASP A 103 1.668 6.097 8.661 1.00 44.11 C ATOM 1514 CG ASP A 103 1.800 7.607 8.488 1.00 25.50 C ATOM 1515 OD1 ASP A 103 2.023 8.068 7.363 1.00 30.24 O ATOM 1516 OD2 ASP A 103 1.641 8.346 9.479 1.00 31.41 O ATOM 0 H ASP A 103 1.985 3.896 9.893 1.00 12.41 H new ATOM 0 HA ASP A 103 3.511 5.352 7.907 1.00 23.45 H new ATOM 0 HB2 ASP A 103 1.183 5.677 7.779 1.00 44.11 H new ATOM 0 HB3 ASP A 103 1.018 5.890 9.511 1.00 44.11 H new ATOM 1521 N VAL A 104 4.939 6.692 9.368 1.00 31.31 N ATOM 1522 CA VAL A 104 5.825 7.514 10.151 1.00 62.14 C ATOM 1523 C VAL A 104 5.821 8.936 9.598 1.00 5.12 C ATOM 1524 O VAL A 104 6.484 9.840 10.141 1.00 21.24 O ATOM 1525 CB VAL A 104 7.277 6.952 10.186 1.00 51.42 C ATOM 1526 CG1 VAL A 104 7.316 5.590 10.871 1.00 60.34 C ATOM 1527 CG2 VAL A 104 7.861 6.855 8.784 1.00 15.15 C ATOM 0 H VAL A 104 5.240 6.560 8.402 1.00 31.31 H new ATOM 0 HA VAL A 104 5.460 7.514 11.178 1.00 62.14 H new ATOM 0 HB VAL A 104 7.887 7.647 10.763 1.00 51.42 H new ATOM 0 HG11 VAL A 104 8.341 5.218 10.883 1.00 60.34 H new ATOM 0 HG12 VAL A 104 6.953 5.687 11.894 1.00 60.34 H new ATOM 0 HG13 VAL A 104 6.682 4.890 10.326 1.00 60.34 H new ATOM 0 HG21 VAL A 104 8.875 6.460 8.839 1.00 15.15 H new ATOM 0 HG22 VAL A 104 7.245 6.190 8.178 1.00 15.15 H new ATOM 0 HG23 VAL A 104 7.882 7.845 8.329 1.00 15.15 H new ATOM 1537 N GLY A 105 5.057 9.129 8.537 1.00 21.22 N ATOM 1538 CA GLY A 105 4.939 10.408 7.900 1.00 21.42 C ATOM 1539 C GLY A 105 3.551 10.959 8.072 1.00 61.41 C ATOM 1540 O GLY A 105 2.868 11.297 7.101 1.00 65.43 O ATOM 0 H GLY A 105 4.503 8.393 8.099 1.00 21.22 H new ATOM 0 HA2 GLY A 105 5.666 11.100 8.325 1.00 21.42 H new ATOM 0 HA3 GLY A 105 5.170 10.314 6.839 1.00 21.42 H new ATOM 1544 N SER A 106 3.164 11.143 9.316 1.00 41.22 N ATOM 1545 CA SER A 106 1.829 11.574 9.688 1.00 21.20 C ATOM 1546 C SER A 106 1.562 13.068 9.358 1.00 50.24 C ATOM 1547 O SER A 106 0.612 13.668 9.872 1.00 2.41 O ATOM 1548 CB SER A 106 1.650 11.315 11.174 1.00 71.22 C ATOM 1549 OG SER A 106 1.953 9.956 11.485 1.00 41.34 O ATOM 0 H SER A 106 3.780 10.995 10.115 1.00 41.22 H new ATOM 0 HA SER A 106 1.105 11.006 9.103 1.00 21.20 H new ATOM 0 HB2 SER A 106 2.299 11.978 11.745 1.00 71.22 H new ATOM 0 HB3 SER A 106 0.625 11.542 11.468 1.00 71.22 H new ATOM 0 HG SER A 106 1.501 9.366 10.846 1.00 41.34 H new ATOM 1555 N LEU A 107 2.363 13.631 8.468 1.00 44.24 N ATOM 1556 CA LEU A 107 2.215 15.004 8.039 1.00 53.40 C ATOM 1557 C LEU A 107 1.041 15.115 7.088 1.00 74.14 C ATOM 1558 O LEU A 107 0.353 16.125 7.057 1.00 25.30 O ATOM 1559 CB LEU A 107 3.487 15.554 7.356 1.00 13.22 C ATOM 1560 CG LEU A 107 4.760 15.739 8.208 1.00 75.22 C ATOM 1561 CD1 LEU A 107 5.388 14.412 8.608 1.00 24.12 C ATOM 1562 CD2 LEU A 107 5.762 16.610 7.467 1.00 71.04 C ATOM 0 H LEU A 107 3.139 13.141 8.022 1.00 44.24 H new ATOM 0 HA LEU A 107 2.041 15.605 8.932 1.00 53.40 H new ATOM 0 HB2 LEU A 107 3.735 14.886 6.531 1.00 13.22 H new ATOM 0 HB3 LEU A 107 3.237 16.521 6.920 1.00 13.22 H new ATOM 0 HG LEU A 107 4.467 16.238 9.132 1.00 75.22 H new ATOM 0 HD11 LEU A 107 6.280 14.597 9.206 1.00 24.12 H new ATOM 0 HD12 LEU A 107 4.673 13.833 9.193 1.00 24.12 H new ATOM 0 HD13 LEU A 107 5.661 13.854 7.712 1.00 24.12 H new ATOM 0 HD21 LEU A 107 6.657 16.734 8.077 1.00 71.04 H new ATOM 0 HD22 LEU A 107 6.029 16.135 6.523 1.00 71.04 H new ATOM 0 HD23 LEU A 107 5.319 17.586 7.269 1.00 71.04 H new ATOM 1574 N ASN A 108 0.824 14.068 6.302 1.00 11.15 N ATOM 1575 CA ASN A 108 -0.327 14.019 5.391 1.00 32.34 C ATOM 1576 C ASN A 108 -1.570 13.628 6.134 1.00 62.42 C ATOM 1577 O ASN A 108 -2.682 13.964 5.730 1.00 4.10 O ATOM 1578 CB ASN A 108 -0.101 13.044 4.228 1.00 24.12 C ATOM 1579 CG ASN A 108 0.779 13.612 3.142 1.00 71.03 C ATOM 1580 OD1 ASN A 108 1.986 13.521 3.196 1.00 2.30 O ATOM 1581 ND2 ASN A 108 0.175 14.191 2.149 1.00 63.24 N ATOM 0 H ASN A 108 1.423 13.243 6.272 1.00 11.15 H new ATOM 0 HA ASN A 108 -0.446 15.020 4.976 1.00 32.34 H new ATOM 0 HB2 ASN A 108 0.350 12.129 4.611 1.00 24.12 H new ATOM 0 HB3 ASN A 108 -1.065 12.769 3.800 1.00 24.12 H new ATOM 0 HD21 ASN A 108 0.719 14.587 1.382 1.00 63.24 H new ATOM 0 HD22 ASN A 108 -0.843 14.250 2.136 1.00 63.24 H new ATOM 1588 N GLY A 109 -1.378 12.947 7.234 1.00 20.14 N ATOM 1589 CA GLY A 109 -2.481 12.472 8.006 1.00 43.22 C ATOM 1590 C GLY A 109 -2.932 11.141 7.488 1.00 70.43 C ATOM 1591 O GLY A 109 -3.844 11.060 6.668 1.00 32.54 O ATOM 0 H GLY A 109 -0.460 12.711 7.611 1.00 20.14 H new ATOM 0 HA2 GLY A 109 -2.192 12.385 9.053 1.00 43.22 H new ATOM 0 HA3 GLY A 109 -3.303 13.187 7.960 1.00 43.22 H new ATOM 1595 N THR A 110 -2.267 10.110 7.904 1.00 34.20 N ATOM 1596 CA THR A 110 -2.621 8.799 7.488 1.00 4.15 C ATOM 1597 C THR A 110 -3.683 8.233 8.417 1.00 62.53 C ATOM 1598 O THR A 110 -3.491 8.148 9.639 1.00 53.34 O ATOM 1599 CB THR A 110 -1.370 7.901 7.417 1.00 31.31 C ATOM 1600 OG1 THR A 110 -0.424 8.533 6.525 1.00 33.22 O ATOM 1601 CG2 THR A 110 -1.726 6.520 6.876 1.00 53.13 C ATOM 0 H THR A 110 -1.469 10.157 8.538 1.00 34.20 H new ATOM 0 HA THR A 110 -3.045 8.836 6.484 1.00 4.15 H new ATOM 0 HB THR A 110 -0.949 7.778 8.415 1.00 31.31 H new ATOM 0 HG1 THR A 110 0.440 8.075 6.587 1.00 33.22 H new ATOM 0 HG21 THR A 110 -0.828 5.903 6.834 1.00 53.13 H new ATOM 0 HG22 THR A 110 -2.459 6.050 7.532 1.00 53.13 H new ATOM 0 HG23 THR A 110 -2.145 6.618 5.875 1.00 53.13 H new ATOM 1609 N TYR A 111 -4.816 7.921 7.853 1.00 61.42 N ATOM 1610 CA TYR A 111 -5.896 7.363 8.597 1.00 54.13 C ATOM 1611 C TYR A 111 -6.150 5.991 8.062 1.00 50.13 C ATOM 1612 O TYR A 111 -6.230 5.809 6.865 1.00 61.13 O ATOM 1613 CB TYR A 111 -7.182 8.193 8.401 1.00 41.10 C ATOM 1614 CG TYR A 111 -7.066 9.665 8.724 1.00 73.12 C ATOM 1615 CD1 TYR A 111 -7.264 10.134 10.009 1.00 54.14 C ATOM 1616 CD2 TYR A 111 -6.767 10.587 7.730 1.00 61.34 C ATOM 1617 CE1 TYR A 111 -7.165 11.479 10.299 1.00 1.43 C ATOM 1618 CE2 TYR A 111 -6.666 11.933 8.010 1.00 13.02 C ATOM 1619 CZ TYR A 111 -6.864 12.373 9.295 1.00 4.20 C ATOM 1620 OH TYR A 111 -6.777 13.720 9.580 1.00 21.24 O ATOM 0 H TYR A 111 -5.011 8.049 6.860 1.00 61.42 H new ATOM 0 HA TYR A 111 -5.638 7.351 9.656 1.00 54.13 H new ATOM 0 HB2 TYR A 111 -7.504 8.091 7.365 1.00 41.10 H new ATOM 0 HB3 TYR A 111 -7.968 7.764 9.023 1.00 41.10 H new ATOM 0 HD1 TYR A 111 -7.500 9.436 10.799 1.00 54.14 H new ATOM 0 HD2 TYR A 111 -6.611 10.243 6.718 1.00 61.34 H new ATOM 0 HE1 TYR A 111 -7.323 11.829 11.308 1.00 1.43 H new ATOM 0 HE2 TYR A 111 -6.433 12.636 7.224 1.00 13.02 H new ATOM 0 HH TYR A 111 -6.556 14.214 8.763 1.00 21.24 H new ATOM 1630 N VAL A 112 -6.305 5.049 8.905 1.00 44.01 N ATOM 1631 CA VAL A 112 -6.641 3.739 8.460 1.00 15.14 C ATOM 1632 C VAL A 112 -7.977 3.402 9.041 1.00 63.00 C ATOM 1633 O VAL A 112 -8.247 3.711 10.214 1.00 72.43 O ATOM 1634 CB VAL A 112 -5.551 2.675 8.783 1.00 34.41 C ATOM 1635 CG1 VAL A 112 -5.285 2.585 10.258 1.00 32.43 C ATOM 1636 CG2 VAL A 112 -5.920 1.310 8.217 1.00 4.33 C ATOM 0 H VAL A 112 -6.206 5.151 9.915 1.00 44.01 H new ATOM 0 HA VAL A 112 -6.692 3.725 7.371 1.00 15.14 H new ATOM 0 HB VAL A 112 -4.631 3.003 8.298 1.00 34.41 H new ATOM 0 HG11 VAL A 112 -4.519 1.832 10.444 1.00 32.43 H new ATOM 0 HG12 VAL A 112 -4.941 3.552 10.625 1.00 32.43 H new ATOM 0 HG13 VAL A 112 -6.202 2.306 10.777 1.00 32.43 H new ATOM 0 HG21 VAL A 112 -5.138 0.591 8.461 1.00 4.33 H new ATOM 0 HG22 VAL A 112 -6.864 0.980 8.650 1.00 4.33 H new ATOM 0 HG23 VAL A 112 -6.023 1.381 7.134 1.00 4.33 H new ATOM 1646 N ASN A 113 -8.852 2.902 8.191 1.00 61.04 N ATOM 1647 CA ASN A 113 -10.238 2.602 8.536 1.00 22.45 C ATOM 1648 C ASN A 113 -10.939 3.931 8.870 1.00 45.33 C ATOM 1649 O ASN A 113 -11.928 3.992 9.596 1.00 53.22 O ATOM 1650 CB ASN A 113 -10.300 1.597 9.700 1.00 52.31 C ATOM 1651 CG ASN A 113 -11.628 0.885 9.804 1.00 23.12 C ATOM 1652 OD1 ASN A 113 -12.532 1.296 10.515 1.00 63.13 O ATOM 1653 ND2 ASN A 113 -11.761 -0.164 9.067 1.00 23.53 N ATOM 0 H ASN A 113 -8.620 2.687 7.221 1.00 61.04 H new ATOM 0 HA ASN A 113 -10.753 2.130 7.700 1.00 22.45 H new ATOM 0 HB2 ASN A 113 -9.508 0.858 9.576 1.00 52.31 H new ATOM 0 HB3 ASN A 113 -10.103 2.122 10.635 1.00 52.31 H new ATOM 0 HD21 ASN A 113 -12.642 -0.678 9.066 1.00 23.53 H new ATOM 0 HD22 ASN A 113 -10.985 -0.480 8.485 1.00 23.53 H new ATOM 1660 N ARG A 114 -10.386 5.000 8.264 1.00 1.11 N ATOM 1661 CA ARG A 114 -10.829 6.406 8.378 1.00 44.15 C ATOM 1662 C ARG A 114 -10.534 6.984 9.773 1.00 11.11 C ATOM 1663 O ARG A 114 -10.918 8.123 10.074 1.00 11.12 O ATOM 1664 CB ARG A 114 -12.333 6.608 8.023 1.00 12.14 C ATOM 1665 CG ARG A 114 -12.792 5.889 6.762 1.00 43.13 C ATOM 1666 CD ARG A 114 -14.129 6.425 6.251 1.00 25.31 C ATOM 1667 NE ARG A 114 -14.754 5.561 5.209 1.00 54.01 N ATOM 1668 CZ ARG A 114 -14.187 5.098 4.055 1.00 73.31 C ATOM 1669 NH1 ARG A 114 -12.939 5.415 3.704 1.00 44.32 N ATOM 1670 NH2 ARG A 114 -14.898 4.326 3.251 1.00 21.21 N ATOM 0 H ARG A 114 -9.577 4.903 7.650 1.00 1.11 H new ATOM 0 HA ARG A 114 -10.246 6.954 7.638 1.00 44.15 H new ATOM 0 HB2 ARG A 114 -12.939 6.265 8.861 1.00 12.14 H new ATOM 0 HB3 ARG A 114 -12.525 7.675 7.907 1.00 12.14 H new ATOM 0 HG2 ARG A 114 -12.036 6.001 5.985 1.00 43.13 H new ATOM 0 HG3 ARG A 114 -12.883 4.822 6.966 1.00 43.13 H new ATOM 0 HD2 ARG A 114 -14.817 6.524 7.091 1.00 25.31 H new ATOM 0 HD3 ARG A 114 -13.979 7.424 5.842 1.00 25.31 H new ATOM 0 HE ARG A 114 -15.721 5.282 5.378 1.00 54.01 H new ATOM 0 HH11 ARG A 114 -12.378 6.020 4.304 1.00 44.32 H new ATOM 0 HH12 ARG A 114 -12.546 5.052 2.836 1.00 44.32 H new ATOM 0 HH21 ARG A 114 -15.858 4.083 3.495 1.00 21.21 H new ATOM 0 HH22 ARG A 114 -14.487 3.974 2.387 1.00 21.21 H new ATOM 1684 N GLU A 115 -9.816 6.230 10.585 1.00 54.50 N ATOM 1685 CA GLU A 115 -9.528 6.607 11.954 1.00 62.21 C ATOM 1686 C GLU A 115 -8.061 7.035 12.078 1.00 20.12 C ATOM 1687 O GLU A 115 -7.202 6.479 11.375 1.00 44.43 O ATOM 1688 CB GLU A 115 -9.794 5.396 12.861 1.00 10.33 C ATOM 1689 CG GLU A 115 -9.641 5.669 14.344 1.00 3.22 C ATOM 1690 CD GLU A 115 -9.873 4.456 15.178 1.00 31.44 C ATOM 1691 OE1 GLU A 115 -11.049 4.130 15.467 1.00 33.44 O ATOM 1692 OE2 GLU A 115 -8.892 3.798 15.560 1.00 71.14 O ATOM 0 H GLU A 115 -9.414 5.334 10.310 1.00 54.50 H new ATOM 0 HA GLU A 115 -10.163 7.442 12.251 1.00 62.21 H new ATOM 0 HB2 GLU A 115 -10.805 5.035 12.674 1.00 10.33 H new ATOM 0 HB3 GLU A 115 -9.112 4.593 12.581 1.00 10.33 H new ATOM 0 HG2 GLU A 115 -8.639 6.052 14.537 1.00 3.22 H new ATOM 0 HG3 GLU A 115 -10.343 6.449 14.640 1.00 3.22 H new ATOM 1699 N PRO A 116 -7.743 8.037 12.934 1.00 31.33 N ATOM 1700 CA PRO A 116 -6.366 8.452 13.167 1.00 64.01 C ATOM 1701 C PRO A 116 -5.548 7.380 13.903 1.00 13.01 C ATOM 1702 O PRO A 116 -5.593 7.258 15.141 1.00 72.34 O ATOM 1703 CB PRO A 116 -6.483 9.729 14.016 1.00 43.35 C ATOM 1704 CG PRO A 116 -7.911 10.139 13.899 1.00 51.34 C ATOM 1705 CD PRO A 116 -8.684 8.873 13.706 1.00 50.53 C ATOM 0 HA PRO A 116 -5.839 8.616 12.227 1.00 64.01 H new ATOM 0 HB2 PRO A 116 -6.210 9.539 15.054 1.00 43.35 H new ATOM 0 HB3 PRO A 116 -5.817 10.510 13.649 1.00 43.35 H new ATOM 0 HG2 PRO A 116 -8.241 10.666 14.794 1.00 51.34 H new ATOM 0 HG3 PRO A 116 -8.055 10.817 13.058 1.00 51.34 H new ATOM 0 HD2 PRO A 116 -8.950 8.411 14.657 1.00 50.53 H new ATOM 0 HD3 PRO A 116 -9.614 9.044 13.163 1.00 50.53 H new ATOM 1713 N ARG A 117 -4.914 6.554 13.121 1.00 43.44 N ATOM 1714 CA ARG A 117 -3.990 5.541 13.563 1.00 32.14 C ATOM 1715 C ARG A 117 -3.032 5.235 12.445 1.00 42.10 C ATOM 1716 O ARG A 117 -3.429 4.807 11.374 1.00 41.03 O ATOM 1717 CB ARG A 117 -4.659 4.266 14.145 1.00 72.30 C ATOM 1718 CG ARG A 117 -5.963 3.816 13.494 1.00 12.24 C ATOM 1719 CD ARG A 117 -6.364 2.438 14.009 1.00 44.15 C ATOM 1720 NE ARG A 117 -7.777 2.120 13.763 1.00 25.21 N ATOM 1721 CZ ARG A 117 -8.248 1.063 13.069 1.00 53.42 C ATOM 1722 NH1 ARG A 117 -7.418 0.243 12.435 1.00 20.01 N ATOM 1723 NH2 ARG A 117 -9.557 0.825 13.013 1.00 14.24 N ATOM 0 H ARG A 117 -5.031 6.567 12.108 1.00 43.44 H new ATOM 0 HA ARG A 117 -3.442 5.946 14.414 1.00 32.14 H new ATOM 0 HB2 ARG A 117 -3.944 3.446 14.077 1.00 72.30 H new ATOM 0 HB3 ARG A 117 -4.849 4.436 15.205 1.00 72.30 H new ATOM 0 HG2 ARG A 117 -6.752 4.536 13.710 1.00 12.24 H new ATOM 0 HG3 ARG A 117 -5.845 3.787 12.411 1.00 12.24 H new ATOM 0 HD2 ARG A 117 -5.739 1.683 13.532 1.00 44.15 H new ATOM 0 HD3 ARG A 117 -6.167 2.385 15.080 1.00 44.15 H new ATOM 0 HE ARG A 117 -8.468 2.760 14.154 1.00 25.21 H new ATOM 0 HH11 ARG A 117 -6.412 0.409 12.469 1.00 20.01 H new ATOM 0 HH12 ARG A 117 -7.786 -0.553 11.914 1.00 20.01 H new ATOM 0 HH21 ARG A 117 -10.209 1.443 13.496 1.00 14.24 H new ATOM 0 HH22 ARG A 117 -9.908 0.025 12.487 1.00 14.24 H new ATOM 1737 N ASN A 118 -1.794 5.517 12.696 1.00 1.44 N ATOM 1738 CA ASN A 118 -0.728 5.405 11.715 1.00 21.42 C ATOM 1739 C ASN A 118 -0.171 3.998 11.598 1.00 21.25 C ATOM 1740 O ASN A 118 0.294 3.595 10.537 1.00 10.44 O ATOM 1741 CB ASN A 118 0.397 6.393 12.055 1.00 21.22 C ATOM 1742 CG ASN A 118 1.030 6.185 13.427 1.00 43.14 C ATOM 1743 OD1 ASN A 118 0.381 5.740 14.381 1.00 62.22 O ATOM 1744 ND2 ASN A 118 2.287 6.491 13.533 1.00 33.33 N ATOM 0 H ASN A 118 -1.474 5.841 13.608 1.00 1.44 H new ATOM 0 HA ASN A 118 -1.161 5.649 10.745 1.00 21.42 H new ATOM 0 HB2 ASN A 118 1.174 6.314 11.295 1.00 21.22 H new ATOM 0 HB3 ASN A 118 0.001 7.407 12.002 1.00 21.22 H new ATOM 0 HD21 ASN A 118 2.769 6.367 14.423 1.00 33.33 H new ATOM 0 HD22 ASN A 118 2.793 6.856 12.726 1.00 33.33 H new ATOM 1751 N ALA A 119 -0.186 3.259 12.669 1.00 21.41 N ATOM 1752 CA ALA A 119 0.333 1.906 12.615 1.00 24.22 C ATOM 1753 C ALA A 119 -0.793 0.894 12.626 1.00 71.41 C ATOM 1754 O ALA A 119 -1.774 1.042 13.377 1.00 51.34 O ATOM 1755 CB ALA A 119 1.280 1.659 13.783 1.00 23.43 C ATOM 0 H ALA A 119 -0.543 3.554 13.578 1.00 21.41 H new ATOM 0 HA ALA A 119 0.885 1.788 11.683 1.00 24.22 H new ATOM 0 HB1 ALA A 119 1.663 0.640 13.732 1.00 23.43 H new ATOM 0 HB2 ALA A 119 2.111 2.362 13.732 1.00 23.43 H new ATOM 0 HB3 ALA A 119 0.744 1.798 14.722 1.00 23.43 H new ATOM 1761 N GLN A 120 -0.653 -0.126 11.802 1.00 22.24 N ATOM 1762 CA GLN A 120 -1.612 -1.200 11.714 1.00 1.54 C ATOM 1763 C GLN A 120 -0.981 -2.549 11.549 1.00 44.44 C ATOM 1764 O GLN A 120 0.095 -2.700 10.950 1.00 71.03 O ATOM 1765 CB GLN A 120 -2.646 -0.978 10.619 1.00 11.04 C ATOM 1766 CG GLN A 120 -3.963 -0.464 11.140 1.00 33.33 C ATOM 1767 CD GLN A 120 -4.637 -1.441 12.078 1.00 54.14 C ATOM 1768 OE1 GLN A 120 -4.415 -1.416 13.280 1.00 13.04 O ATOM 1769 NE2 GLN A 120 -5.482 -2.282 11.548 1.00 31.45 N ATOM 0 H GLN A 120 0.140 -0.230 11.169 1.00 22.24 H new ATOM 0 HA GLN A 120 -2.122 -1.188 12.677 1.00 1.54 H new ATOM 0 HB2 GLN A 120 -2.249 -0.269 9.892 1.00 11.04 H new ATOM 0 HB3 GLN A 120 -2.813 -1.917 10.091 1.00 11.04 H new ATOM 0 HG2 GLN A 120 -3.801 0.480 11.660 1.00 33.33 H new ATOM 0 HG3 GLN A 120 -4.626 -0.256 10.300 1.00 33.33 H new ATOM 0 HE21 GLN A 120 -5.644 -2.276 10.541 1.00 31.45 H new ATOM 0 HE22 GLN A 120 -5.981 -2.945 12.141 1.00 31.45 H new ATOM 1778 N VAL A 121 -1.665 -3.514 12.071 1.00 74.34 N ATOM 1779 CA VAL A 121 -1.317 -4.891 11.921 1.00 41.42 C ATOM 1780 C VAL A 121 -2.055 -5.397 10.684 1.00 24.01 C ATOM 1781 O VAL A 121 -3.191 -4.971 10.446 1.00 71.12 O ATOM 1782 CB VAL A 121 -1.683 -5.734 13.195 1.00 0.41 C ATOM 1783 CG1 VAL A 121 -3.177 -5.675 13.520 1.00 11.54 C ATOM 1784 CG2 VAL A 121 -1.215 -7.182 13.055 1.00 73.50 C ATOM 0 H VAL A 121 -2.505 -3.363 12.629 1.00 74.34 H new ATOM 0 HA VAL A 121 -0.239 -4.999 11.802 1.00 41.42 H new ATOM 0 HB VAL A 121 -1.152 -5.282 14.033 1.00 0.41 H new ATOM 0 HG11 VAL A 121 -3.380 -6.273 14.408 1.00 11.54 H new ATOM 0 HG12 VAL A 121 -3.469 -4.641 13.704 1.00 11.54 H new ATOM 0 HG13 VAL A 121 -3.748 -6.069 12.679 1.00 11.54 H new ATOM 0 HG21 VAL A 121 -1.483 -7.739 13.953 1.00 73.50 H new ATOM 0 HG22 VAL A 121 -1.695 -7.637 12.188 1.00 73.50 H new ATOM 0 HG23 VAL A 121 -0.133 -7.204 12.924 1.00 73.50 H new ATOM 1794 N MET A 122 -1.357 -6.154 9.838 1.00 41.53 N ATOM 1795 CA MET A 122 -1.931 -6.745 8.612 1.00 53.25 C ATOM 1796 C MET A 122 -3.365 -7.272 8.784 1.00 2.53 C ATOM 1797 O MET A 122 -3.605 -8.342 9.378 1.00 61.22 O ATOM 1798 CB MET A 122 -1.023 -7.866 8.065 1.00 1.32 C ATOM 1799 CG MET A 122 -1.643 -8.694 6.929 1.00 14.21 C ATOM 1800 SD MET A 122 -0.538 -9.972 6.304 1.00 42.43 S ATOM 1801 CE MET A 122 -1.623 -10.828 5.159 1.00 45.40 C ATOM 0 H MET A 122 -0.372 -6.380 9.977 1.00 41.53 H new ATOM 0 HA MET A 122 -1.985 -5.927 7.894 1.00 53.25 H new ATOM 0 HB2 MET A 122 -0.094 -7.421 7.708 1.00 1.32 H new ATOM 0 HB3 MET A 122 -0.761 -8.536 8.884 1.00 1.32 H new ATOM 0 HG2 MET A 122 -2.562 -9.159 7.286 1.00 14.21 H new ATOM 0 HG3 MET A 122 -1.919 -8.029 6.111 1.00 14.21 H new ATOM 0 HE1 MET A 122 -1.025 -11.395 4.446 1.00 45.40 H new ATOM 0 HE2 MET A 122 -2.271 -11.508 5.711 1.00 45.40 H new ATOM 0 HE3 MET A 122 -2.233 -10.101 4.623 1.00 45.40 H new ATOM 1811 N GLN A 123 -4.298 -6.494 8.293 1.00 74.21 N ATOM 1812 CA GLN A 123 -5.667 -6.879 8.228 1.00 63.45 C ATOM 1813 C GLN A 123 -6.052 -6.762 6.778 1.00 53.11 C ATOM 1814 O GLN A 123 -5.880 -5.700 6.174 1.00 5.51 O ATOM 1815 CB GLN A 123 -6.542 -5.939 9.070 1.00 24.22 C ATOM 1816 CG GLN A 123 -8.007 -6.364 9.151 1.00 12.10 C ATOM 1817 CD GLN A 123 -8.875 -5.354 9.873 1.00 12.34 C ATOM 1818 OE1 GLN A 123 -9.034 -5.400 11.091 1.00 42.45 O ATOM 1819 NE2 GLN A 123 -9.484 -4.482 9.140 1.00 1.24 N ATOM 0 H GLN A 123 -4.114 -5.561 7.924 1.00 74.21 H new ATOM 0 HA GLN A 123 -5.810 -7.887 8.616 1.00 63.45 H new ATOM 0 HB2 GLN A 123 -6.133 -5.885 10.079 1.00 24.22 H new ATOM 0 HB3 GLN A 123 -6.488 -4.935 8.650 1.00 24.22 H new ATOM 0 HG2 GLN A 123 -8.393 -6.512 8.143 1.00 12.10 H new ATOM 0 HG3 GLN A 123 -8.074 -7.324 9.662 1.00 12.10 H new ATOM 0 HE21 GLN A 123 -9.332 -4.468 8.131 1.00 1.24 H new ATOM 0 HE22 GLN A 123 -10.117 -3.807 9.570 1.00 1.24 H new ATOM 1828 N THR A 124 -6.525 -7.822 6.213 1.00 12.01 N ATOM 1829 CA THR A 124 -6.915 -7.800 4.843 1.00 74.43 C ATOM 1830 C THR A 124 -8.312 -7.218 4.700 1.00 42.40 C ATOM 1831 O THR A 124 -9.244 -7.605 5.430 1.00 73.02 O ATOM 1832 CB THR A 124 -6.793 -9.208 4.178 1.00 71.23 C ATOM 1833 OG1 THR A 124 -7.219 -9.168 2.807 1.00 31.11 O ATOM 1834 CG2 THR A 124 -7.572 -10.280 4.935 1.00 72.13 C ATOM 0 H THR A 124 -6.651 -8.719 6.682 1.00 12.01 H new ATOM 0 HA THR A 124 -6.225 -7.150 4.305 1.00 74.43 H new ATOM 0 HB THR A 124 -5.738 -9.478 4.217 1.00 71.23 H new ATOM 0 HG1 THR A 124 -7.438 -10.074 2.506 1.00 31.11 H new ATOM 0 HG21 THR A 124 -7.454 -11.239 4.431 1.00 72.13 H new ATOM 0 HG22 THR A 124 -7.191 -10.356 5.953 1.00 72.13 H new ATOM 0 HG23 THR A 124 -8.628 -10.012 4.962 1.00 72.13 H new ATOM 1842 N GLY A 125 -8.436 -6.253 3.818 1.00 40.41 N ATOM 1843 CA GLY A 125 -9.712 -5.654 3.560 1.00 64.42 C ATOM 1844 C GLY A 125 -9.875 -4.341 4.268 1.00 62.23 C ATOM 1845 O GLY A 125 -10.995 -3.852 4.436 1.00 4.43 O ATOM 0 H GLY A 125 -7.665 -5.871 3.270 1.00 40.41 H new ATOM 0 HA2 GLY A 125 -9.831 -5.503 2.487 1.00 64.42 H new ATOM 0 HA3 GLY A 125 -10.502 -6.336 3.875 1.00 64.42 H new ATOM 1849 N ASP A 126 -8.781 -3.745 4.685 1.00 44.34 N ATOM 1850 CA ASP A 126 -8.878 -2.483 5.386 1.00 13.04 C ATOM 1851 C ASP A 126 -8.321 -1.378 4.516 1.00 23.40 C ATOM 1852 O ASP A 126 -7.419 -1.620 3.691 1.00 54.54 O ATOM 1853 CB ASP A 126 -8.174 -2.530 6.741 1.00 62.12 C ATOM 1854 CG ASP A 126 -8.705 -1.468 7.690 1.00 62.34 C ATOM 1855 OD1 ASP A 126 -9.797 -0.897 7.407 1.00 72.05 O ATOM 1856 OD2 ASP A 126 -8.093 -1.234 8.746 1.00 41.22 O ATOM 0 H ASP A 126 -7.834 -4.102 4.556 1.00 44.34 H new ATOM 0 HA ASP A 126 -9.930 -2.281 5.589 1.00 13.04 H new ATOM 0 HB2 ASP A 126 -8.309 -3.516 7.187 1.00 62.12 H new ATOM 0 HB3 ASP A 126 -7.103 -2.388 6.599 1.00 62.12 H new ATOM 1861 N GLU A 127 -8.841 -0.189 4.679 1.00 74.24 N ATOM 1862 CA GLU A 127 -8.473 0.917 3.823 1.00 42.41 C ATOM 1863 C GLU A 127 -7.654 1.970 4.552 1.00 64.23 C ATOM 1864 O GLU A 127 -8.005 2.417 5.650 1.00 65.44 O ATOM 1865 CB GLU A 127 -9.713 1.535 3.160 1.00 53.33 C ATOM 1866 CG GLU A 127 -9.416 2.765 2.309 1.00 55.32 C ATOM 1867 CD GLU A 127 -10.607 3.233 1.543 1.00 10.10 C ATOM 1868 OE1 GLU A 127 -11.566 3.753 2.143 1.00 43.51 O ATOM 1869 OE2 GLU A 127 -10.624 3.077 0.312 1.00 13.22 O ATOM 0 H GLU A 127 -9.525 0.042 5.400 1.00 74.24 H new ATOM 0 HA GLU A 127 -7.832 0.513 3.039 1.00 42.41 H new ATOM 0 HB2 GLU A 127 -10.191 0.781 2.535 1.00 53.33 H new ATOM 0 HB3 GLU A 127 -10.429 1.807 3.936 1.00 53.33 H new ATOM 0 HG2 GLU A 127 -9.063 3.571 2.952 1.00 55.32 H new ATOM 0 HG3 GLU A 127 -8.609 2.535 1.614 1.00 55.32 H new ATOM 1876 N ILE A 128 -6.583 2.359 3.921 1.00 32.52 N ATOM 1877 CA ILE A 128 -5.675 3.348 4.405 1.00 45.23 C ATOM 1878 C ILE A 128 -5.848 4.605 3.553 1.00 2.44 C ATOM 1879 O ILE A 128 -5.665 4.576 2.339 1.00 75.12 O ATOM 1880 CB ILE A 128 -4.203 2.851 4.278 1.00 2.44 C ATOM 1881 CG1 ILE A 128 -4.018 1.514 5.019 1.00 75.12 C ATOM 1882 CG2 ILE A 128 -3.235 3.902 4.820 1.00 52.00 C ATOM 1883 CD1 ILE A 128 -2.640 0.896 4.865 1.00 30.32 C ATOM 0 H ILE A 128 -6.311 1.976 3.016 1.00 32.52 H new ATOM 0 HA ILE A 128 -5.884 3.551 5.455 1.00 45.23 H new ATOM 0 HB ILE A 128 -3.984 2.692 3.222 1.00 2.44 H new ATOM 0 HG12 ILE A 128 -4.216 1.670 6.079 1.00 75.12 H new ATOM 0 HG13 ILE A 128 -4.763 0.806 4.656 1.00 75.12 H new ATOM 0 HG21 ILE A 128 -2.212 3.539 4.724 1.00 52.00 H new ATOM 0 HG22 ILE A 128 -3.347 4.826 4.253 1.00 52.00 H new ATOM 0 HG23 ILE A 128 -3.455 4.092 5.871 1.00 52.00 H new ATOM 0 HD11 ILE A 128 -2.598 -0.042 5.419 1.00 30.32 H new ATOM 0 HD12 ILE A 128 -2.443 0.704 3.810 1.00 30.32 H new ATOM 0 HD13 ILE A 128 -1.888 1.582 5.255 1.00 30.32 H new ATOM 1895 N GLN A 129 -6.234 5.666 4.168 1.00 13.23 N ATOM 1896 CA GLN A 129 -6.396 6.919 3.494 1.00 2.13 C ATOM 1897 C GLN A 129 -5.311 7.864 3.937 1.00 62.45 C ATOM 1898 O GLN A 129 -5.264 8.270 5.105 1.00 4.53 O ATOM 1899 CB GLN A 129 -7.767 7.534 3.782 1.00 2.13 C ATOM 1900 CG GLN A 129 -8.937 6.723 3.266 1.00 64.14 C ATOM 1901 CD GLN A 129 -10.264 7.376 3.565 1.00 34.12 C ATOM 1902 OE1 GLN A 129 -10.874 7.132 4.606 1.00 44.11 O ATOM 1903 NE2 GLN A 129 -10.713 8.229 2.693 1.00 73.50 N ATOM 0 H GLN A 129 -6.450 5.696 5.164 1.00 13.23 H new ATOM 0 HA GLN A 129 -6.326 6.745 2.420 1.00 2.13 H new ATOM 0 HB2 GLN A 129 -7.876 7.661 4.859 1.00 2.13 H new ATOM 0 HB3 GLN A 129 -7.806 8.529 3.338 1.00 2.13 H new ATOM 0 HG2 GLN A 129 -8.836 6.588 2.189 1.00 64.14 H new ATOM 0 HG3 GLN A 129 -8.914 5.730 3.715 1.00 64.14 H new ATOM 0 HE21 GLN A 129 -10.186 8.411 1.839 1.00 73.50 H new ATOM 0 HE22 GLN A 129 -11.593 8.717 2.863 1.00 73.50 H new ATOM 1912 N ILE A 130 -4.434 8.194 3.041 1.00 51.31 N ATOM 1913 CA ILE A 130 -3.393 9.133 3.344 1.00 53.44 C ATOM 1914 C ILE A 130 -3.837 10.516 2.898 1.00 53.41 C ATOM 1915 O ILE A 130 -3.725 10.882 1.716 1.00 2.15 O ATOM 1916 CB ILE A 130 -2.019 8.750 2.697 1.00 0.42 C ATOM 1917 CG1 ILE A 130 -2.163 8.467 1.189 1.00 75.55 C ATOM 1918 CG2 ILE A 130 -1.407 7.554 3.409 1.00 2.15 C ATOM 1919 CD1 ILE A 130 -0.855 8.251 0.477 1.00 74.44 C ATOM 0 H ILE A 130 -4.416 7.827 2.089 1.00 51.31 H new ATOM 0 HA ILE A 130 -3.228 9.120 4.421 1.00 53.44 H new ATOM 0 HB ILE A 130 -1.351 9.604 2.811 1.00 0.42 H new ATOM 0 HG12 ILE A 130 -2.788 7.584 1.054 1.00 75.55 H new ATOM 0 HG13 ILE A 130 -2.685 9.302 0.722 1.00 75.55 H new ATOM 0 HG21 ILE A 130 -0.453 7.303 2.945 1.00 2.15 H new ATOM 0 HG22 ILE A 130 -1.247 7.799 4.459 1.00 2.15 H new ATOM 0 HG23 ILE A 130 -2.082 6.701 3.334 1.00 2.15 H new ATOM 0 HD11 ILE A 130 -1.043 8.058 -0.579 1.00 74.44 H new ATOM 0 HD12 ILE A 130 -0.234 9.141 0.578 1.00 74.44 H new ATOM 0 HD13 ILE A 130 -0.339 7.397 0.915 1.00 74.44 H new ATOM 1931 N GLY A 131 -4.357 11.273 3.842 1.00 52.54 N ATOM 1932 CA GLY A 131 -4.886 12.590 3.569 1.00 54.14 C ATOM 1933 C GLY A 131 -6.061 12.568 2.593 1.00 0.35 C ATOM 1934 O GLY A 131 -7.225 12.503 2.995 1.00 22.23 O ATOM 0 H GLY A 131 -4.424 10.991 4.820 1.00 52.54 H new ATOM 0 HA2 GLY A 131 -5.206 13.049 4.505 1.00 54.14 H new ATOM 0 HA3 GLY A 131 -4.093 13.217 3.161 1.00 54.14 H new ATOM 1938 N LYS A 132 -5.736 12.577 1.320 1.00 24.41 N ATOM 1939 CA LYS A 132 -6.711 12.654 0.255 1.00 14.04 C ATOM 1940 C LYS A 132 -6.736 11.364 -0.568 1.00 21.41 C ATOM 1941 O LYS A 132 -7.653 11.148 -1.357 1.00 2.31 O ATOM 1942 CB LYS A 132 -6.329 13.802 -0.700 1.00 32.01 C ATOM 1943 CG LYS A 132 -6.169 15.168 -0.043 1.00 4.15 C ATOM 1944 CD LYS A 132 -5.692 16.246 -1.031 1.00 22.31 C ATOM 1945 CE LYS A 132 -4.311 15.932 -1.608 1.00 1.03 C ATOM 1946 NZ LYS A 132 -3.799 17.008 -2.493 1.00 23.20 N ATOM 0 H LYS A 132 -4.772 12.530 0.990 1.00 24.41 H new ATOM 0 HA LYS A 132 -7.688 12.817 0.709 1.00 14.04 H new ATOM 0 HB2 LYS A 132 -5.394 13.544 -1.197 1.00 32.01 H new ATOM 0 HB3 LYS A 132 -7.091 13.877 -1.475 1.00 32.01 H new ATOM 0 HG2 LYS A 132 -7.122 15.473 0.390 1.00 4.15 H new ATOM 0 HG3 LYS A 132 -5.456 15.091 0.778 1.00 4.15 H new ATOM 0 HD2 LYS A 132 -6.412 16.335 -1.845 1.00 22.31 H new ATOM 0 HD3 LYS A 132 -5.662 17.211 -0.526 1.00 22.31 H new ATOM 0 HE2 LYS A 132 -3.608 15.775 -0.790 1.00 1.03 H new ATOM 0 HE3 LYS A 132 -4.360 14.999 -2.169 1.00 1.03 H new ATOM 0 HZ1 LYS A 132 -2.861 16.742 -2.855 1.00 23.20 H new ATOM 0 HZ2 LYS A 132 -4.453 17.142 -3.290 1.00 23.20 H new ATOM 0 HZ3 LYS A 132 -3.724 17.894 -1.954 1.00 23.20 H new ATOM 1960 N PHE A 133 -5.740 10.514 -0.399 1.00 64.42 N ATOM 1961 CA PHE A 133 -5.588 9.381 -1.315 1.00 2.35 C ATOM 1962 C PHE A 133 -5.961 8.077 -0.672 1.00 72.55 C ATOM 1963 O PHE A 133 -5.859 7.929 0.547 1.00 54.30 O ATOM 1964 CB PHE A 133 -4.177 9.354 -1.890 1.00 2.20 C ATOM 1965 CG PHE A 133 -3.783 10.706 -2.397 1.00 74.22 C ATOM 1966 CD1 PHE A 133 -4.571 11.357 -3.333 1.00 62.33 C ATOM 1967 CD2 PHE A 133 -2.662 11.347 -1.907 1.00 1.54 C ATOM 1968 CE1 PHE A 133 -4.252 12.610 -3.770 1.00 32.44 C ATOM 1969 CE2 PHE A 133 -2.331 12.606 -2.351 1.00 14.41 C ATOM 1970 CZ PHE A 133 -3.136 13.236 -3.280 1.00 43.30 C ATOM 0 H PHE A 133 -5.039 10.575 0.339 1.00 64.42 H new ATOM 0 HA PHE A 133 -6.287 9.519 -2.140 1.00 2.35 H new ATOM 0 HB2 PHE A 133 -3.473 9.029 -1.124 1.00 2.20 H new ATOM 0 HB3 PHE A 133 -4.124 8.627 -2.700 1.00 2.20 H new ATOM 0 HD1 PHE A 133 -5.450 10.866 -3.722 1.00 62.33 H new ATOM 0 HD2 PHE A 133 -2.042 10.857 -1.171 1.00 1.54 H new ATOM 0 HE1 PHE A 133 -4.876 13.106 -4.499 1.00 32.44 H new ATOM 0 HE2 PHE A 133 -1.447 13.099 -1.975 1.00 14.41 H new ATOM 0 HZ PHE A 133 -2.884 14.229 -3.622 1.00 43.30 H new ATOM 1980 N ARG A 134 -6.369 7.117 -1.487 1.00 1.01 N ATOM 1981 CA ARG A 134 -6.910 5.875 -0.964 1.00 32.42 C ATOM 1982 C ARG A 134 -6.094 4.655 -1.386 1.00 53.15 C ATOM 1983 O ARG A 134 -5.909 4.376 -2.588 1.00 64.33 O ATOM 1984 CB ARG A 134 -8.378 5.722 -1.379 1.00 25.14 C ATOM 1985 CG ARG A 134 -9.275 6.843 -0.859 1.00 51.42 C ATOM 1986 CD ARG A 134 -10.707 6.706 -1.344 1.00 41.34 C ATOM 1987 NE ARG A 134 -11.332 5.457 -0.896 1.00 61.22 N ATOM 1988 CZ ARG A 134 -12.602 5.112 -1.091 1.00 10.35 C ATOM 1989 NH1 ARG A 134 -13.459 5.951 -1.638 1.00 11.32 N ATOM 1990 NH2 ARG A 134 -13.003 3.938 -0.690 1.00 21.34 N ATOM 0 H ARG A 134 -6.336 7.174 -2.505 1.00 1.01 H new ATOM 0 HA ARG A 134 -6.849 5.927 0.123 1.00 32.42 H new ATOM 0 HB2 ARG A 134 -8.439 5.693 -2.467 1.00 25.14 H new ATOM 0 HB3 ARG A 134 -8.754 4.767 -1.013 1.00 25.14 H new ATOM 0 HG2 ARG A 134 -9.261 6.841 0.231 1.00 51.42 H new ATOM 0 HG3 ARG A 134 -8.875 7.804 -1.181 1.00 51.42 H new ATOM 0 HD2 ARG A 134 -11.292 7.552 -0.983 1.00 41.34 H new ATOM 0 HD3 ARG A 134 -10.724 6.748 -2.433 1.00 41.34 H new ATOM 0 HE ARG A 134 -10.742 4.796 -0.391 1.00 61.22 H new ATOM 0 HH11 ARG A 134 -13.152 6.882 -1.920 1.00 11.32 H new ATOM 0 HH12 ARG A 134 -14.429 5.669 -1.780 1.00 11.32 H new ATOM 0 HH21 ARG A 134 -12.347 3.303 -0.236 1.00 21.34 H new ATOM 0 HH22 ARG A 134 -13.973 3.655 -0.830 1.00 21.34 H new ATOM 2004 N LEU A 135 -5.637 3.940 -0.393 1.00 64.10 N ATOM 2005 CA LEU A 135 -4.851 2.741 -0.540 1.00 32.11 C ATOM 2006 C LEU A 135 -5.564 1.621 0.207 1.00 43.44 C ATOM 2007 O LEU A 135 -5.971 1.807 1.336 1.00 60.14 O ATOM 2008 CB LEU A 135 -3.476 2.982 0.101 1.00 23.51 C ATOM 2009 CG LEU A 135 -2.483 1.818 0.081 1.00 24.31 C ATOM 2010 CD1 LEU A 135 -2.059 1.502 -1.332 1.00 73.24 C ATOM 2011 CD2 LEU A 135 -1.277 2.127 0.952 1.00 41.35 C ATOM 0 H LEU A 135 -5.809 4.186 0.582 1.00 64.10 H new ATOM 0 HA LEU A 135 -4.728 2.477 -1.590 1.00 32.11 H new ATOM 0 HB2 LEU A 135 -3.012 3.831 -0.402 1.00 23.51 H new ATOM 0 HB3 LEU A 135 -3.634 3.274 1.139 1.00 23.51 H new ATOM 0 HG LEU A 135 -2.980 0.938 0.489 1.00 24.31 H new ATOM 0 HD11 LEU A 135 -1.353 0.672 -1.323 1.00 73.24 H new ATOM 0 HD12 LEU A 135 -2.934 1.228 -1.922 1.00 73.24 H new ATOM 0 HD13 LEU A 135 -1.583 2.378 -1.774 1.00 73.24 H new ATOM 0 HD21 LEU A 135 -0.583 1.287 0.924 1.00 41.35 H new ATOM 0 HD22 LEU A 135 -0.779 3.022 0.579 1.00 41.35 H new ATOM 0 HD23 LEU A 135 -1.603 2.294 1.979 1.00 41.35 H new ATOM 2023 N VAL A 136 -5.743 0.491 -0.405 1.00 43.31 N ATOM 2024 CA VAL A 136 -6.401 -0.608 0.274 1.00 24.32 C ATOM 2025 C VAL A 136 -5.400 -1.739 0.424 1.00 3.42 C ATOM 2026 O VAL A 136 -4.605 -1.999 -0.495 1.00 71.20 O ATOM 2027 CB VAL A 136 -7.676 -1.101 -0.484 1.00 24.43 C ATOM 2028 CG1 VAL A 136 -8.450 -2.120 0.346 1.00 14.32 C ATOM 2029 CG2 VAL A 136 -8.578 0.067 -0.836 1.00 10.32 C ATOM 0 H VAL A 136 -5.450 0.296 -1.362 1.00 43.31 H new ATOM 0 HA VAL A 136 -6.741 -0.262 1.250 1.00 24.32 H new ATOM 0 HB VAL A 136 -7.345 -1.583 -1.404 1.00 24.43 H new ATOM 0 HG11 VAL A 136 -9.332 -2.445 -0.207 1.00 14.32 H new ATOM 0 HG12 VAL A 136 -7.813 -2.980 0.552 1.00 14.32 H new ATOM 0 HG13 VAL A 136 -8.759 -1.664 1.286 1.00 14.32 H new ATOM 0 HG21 VAL A 136 -9.459 -0.300 -1.363 1.00 10.32 H new ATOM 0 HG22 VAL A 136 -8.887 0.576 0.077 1.00 10.32 H new ATOM 0 HG23 VAL A 136 -8.037 0.765 -1.475 1.00 10.32 H new ATOM 2039 N PHE A 137 -5.399 -2.378 1.567 1.00 3.33 N ATOM 2040 CA PHE A 137 -4.445 -3.422 1.840 1.00 33.35 C ATOM 2041 C PHE A 137 -5.170 -4.766 1.899 1.00 74.53 C ATOM 2042 O PHE A 137 -6.057 -4.975 2.746 1.00 0.34 O ATOM 2043 CB PHE A 137 -3.727 -3.101 3.159 1.00 61.34 C ATOM 2044 CG PHE A 137 -2.501 -3.920 3.439 1.00 13.23 C ATOM 2045 CD1 PHE A 137 -1.372 -3.778 2.646 1.00 5.13 C ATOM 2046 CD2 PHE A 137 -2.463 -4.805 4.501 1.00 61.42 C ATOM 2047 CE1 PHE A 137 -0.232 -4.509 2.904 1.00 74.40 C ATOM 2048 CE2 PHE A 137 -1.322 -5.534 4.764 1.00 2.15 C ATOM 2049 CZ PHE A 137 -0.206 -5.384 3.967 1.00 20.15 C ATOM 0 H PHE A 137 -6.053 -2.191 2.327 1.00 3.33 H new ATOM 0 HA PHE A 137 -3.697 -3.483 1.049 1.00 33.35 H new ATOM 0 HB2 PHE A 137 -3.447 -2.048 3.154 1.00 61.34 H new ATOM 0 HB3 PHE A 137 -4.431 -3.239 3.980 1.00 61.34 H new ATOM 0 HD1 PHE A 137 -1.386 -3.087 1.817 1.00 5.13 H new ATOM 0 HD2 PHE A 137 -3.333 -4.926 5.129 1.00 61.42 H new ATOM 0 HE1 PHE A 137 0.638 -4.396 2.274 1.00 74.40 H new ATOM 0 HE2 PHE A 137 -1.302 -6.223 5.595 1.00 2.15 H new ATOM 0 HZ PHE A 137 0.688 -5.953 4.177 1.00 20.15 H new ATOM 2059 N LEU A 138 -4.830 -5.656 0.992 1.00 22.42 N ATOM 2060 CA LEU A 138 -5.486 -6.954 0.909 1.00 52.43 C ATOM 2061 C LEU A 138 -4.460 -8.054 1.012 1.00 62.05 C ATOM 2062 O LEU A 138 -3.275 -7.831 0.771 1.00 70.52 O ATOM 2063 CB LEU A 138 -6.242 -7.158 -0.440 1.00 13.13 C ATOM 2064 CG LEU A 138 -7.405 -6.220 -0.816 1.00 35.05 C ATOM 2065 CD1 LEU A 138 -8.428 -6.105 0.293 1.00 51.44 C ATOM 2066 CD2 LEU A 138 -6.915 -4.862 -1.285 1.00 32.45 C ATOM 0 H LEU A 138 -4.100 -5.508 0.296 1.00 22.42 H new ATOM 0 HA LEU A 138 -6.203 -6.988 1.729 1.00 52.43 H new ATOM 0 HB2 LEU A 138 -5.503 -7.096 -1.239 1.00 13.13 H new ATOM 0 HB3 LEU A 138 -6.631 -8.176 -0.444 1.00 13.13 H new ATOM 0 HG LEU A 138 -7.914 -6.679 -1.663 1.00 35.05 H new ATOM 0 HD11 LEU A 138 -9.228 -5.434 -0.018 1.00 51.44 H new ATOM 0 HD12 LEU A 138 -8.843 -7.089 0.508 1.00 51.44 H new ATOM 0 HD13 LEU A 138 -7.950 -5.709 1.189 1.00 51.44 H new ATOM 0 HD21 LEU A 138 -7.769 -4.235 -1.539 1.00 32.45 H new ATOM 0 HD22 LEU A 138 -6.341 -4.388 -0.489 1.00 32.45 H new ATOM 0 HD23 LEU A 138 -6.283 -4.987 -2.164 1.00 32.45 H new ATOM 2078 N ALA A 139 -4.904 -9.225 1.375 1.00 25.42 N ATOM 2079 CA ALA A 139 -4.073 -10.395 1.353 1.00 51.05 C ATOM 2080 C ALA A 139 -4.027 -10.879 -0.078 1.00 61.14 C ATOM 2081 O ALA A 139 -5.034 -10.812 -0.789 1.00 13.43 O ATOM 2082 CB ALA A 139 -4.629 -11.480 2.266 1.00 41.40 C ATOM 0 H ALA A 139 -5.857 -9.395 1.696 1.00 25.42 H new ATOM 0 HA ALA A 139 -3.073 -10.157 1.716 1.00 51.05 H new ATOM 0 HB1 ALA A 139 -3.979 -12.354 2.229 1.00 41.40 H new ATOM 0 HB2 ALA A 139 -4.677 -11.106 3.289 1.00 41.40 H new ATOM 0 HB3 ALA A 139 -5.630 -11.757 1.934 1.00 41.40 H new ATOM 2088 N GLY A 140 -2.893 -11.321 -0.513 1.00 52.15 N ATOM 2089 CA GLY A 140 -2.749 -11.718 -1.878 1.00 33.41 C ATOM 2090 C GLY A 140 -2.879 -13.200 -2.054 1.00 12.51 C ATOM 2091 O GLY A 140 -3.684 -13.836 -1.358 1.00 32.30 O ATOM 0 H GLY A 140 -2.052 -11.417 0.056 1.00 52.15 H new ATOM 0 HA2 GLY A 140 -3.504 -11.215 -2.482 1.00 33.41 H new ATOM 0 HA3 GLY A 140 -1.776 -11.394 -2.248 1.00 33.41 H new ATOM 2095 N PRO A 141 -2.100 -13.793 -2.963 1.00 54.00 N ATOM 2096 CA PRO A 141 -2.185 -15.202 -3.246 1.00 13.53 C ATOM 2097 C PRO A 141 -1.793 -16.072 -2.091 1.00 70.30 C ATOM 2098 O PRO A 141 -0.678 -16.003 -1.570 1.00 1.44 O ATOM 2099 CB PRO A 141 -1.251 -15.434 -4.413 1.00 40.13 C ATOM 2100 CG PRO A 141 -0.335 -14.270 -4.426 1.00 1.30 C ATOM 2101 CD PRO A 141 -1.077 -13.130 -3.788 1.00 41.43 C ATOM 0 HA PRO A 141 -3.219 -15.472 -3.462 1.00 13.53 H new ATOM 0 HB2 PRO A 141 -0.699 -16.366 -4.294 1.00 40.13 H new ATOM 0 HB3 PRO A 141 -1.804 -15.508 -5.349 1.00 40.13 H new ATOM 0 HG2 PRO A 141 0.580 -14.492 -3.877 1.00 1.30 H new ATOM 0 HG3 PRO A 141 -0.042 -14.019 -5.446 1.00 1.30 H new ATOM 0 HD2 PRO A 141 -0.415 -12.511 -3.183 1.00 41.43 H new ATOM 0 HD3 PRO A 141 -1.528 -12.478 -4.536 1.00 41.43 H new