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 Single : A 5 ASN : amide:sc= 0 X(o=0,f=0.01) USER MOD Single : A 7 THR OG1 : rot 38:sc= 0.341 USER MOD Single : A 11 GLN : amide:sc= -0.0699 K(o=-0.07,f=-0.7) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 165:sc= 1.27 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -2.39 X(o=-2.4,f=-2.9!) USER MOD Single : A 65 GLN : amide:sc= -6.94! C(o=-6.9!,f=-3.9!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.276 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -2.85! C(o=-2.8!,f=-11!) USER MOD Single : A 76 SER OG : rot -39:sc= 1.91 USER MOD Single : A 84 THR OG1 : rot 82:sc= 1.29 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -3.5 K(o=-3.5,f=-9.3!) USER MOD Single : A 95 ASN : amide:sc= 0.856 K(o=0.86,f=-5.2!) USER MOD Single : A 106 SER OG : rot -25:sc= 1.26 USER MOD Single : A 108 ASN : amide:sc= -1.27! K(o=-1.3!,f=-0.55) USER MOD Single : A 110 THR OG1 : rot 103:sc= 1.13 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.36) USER MOD Single : A 118 ASN : amide:sc=-0.00901 X(o=-0.009,f=-0.009) USER MOD Single : A 120 GLN : amide:sc= -0.113 K(o=-0.11,f=-1.9!) USER MOD Single : A 122 MET CE :methyl 174:sc= -2.44 (180deg=-2.59) USER MOD Single : A 123 GLN : amide:sc= -0.0325 K(o=-0.033,f=-4.1!) USER MOD Single : A 124 THR OG1 : rot -150:sc= 0.746 USER MOD Single : A 129 GLN : amide:sc= 1.58 K(o=1.6,f=-6.9!) USER MOD Single : A 132 LYS NZ :NH3+ -165:sc= -0.0475 (180deg=-0.305) USER MOD ----------------------------------------------------------------- ATOM 57 N ASN A 5 -55.871 1.416 -43.171 1.00 61.24 N ATOM 58 CA ASN A 5 -55.848 -0.012 -42.994 1.00 33.13 C ATOM 59 C ASN A 5 -55.021 -0.313 -41.767 1.00 23.43 C ATOM 60 O ASN A 5 -53.887 -0.807 -41.837 1.00 54.15 O ATOM 61 CB ASN A 5 -55.352 -0.761 -44.249 1.00 31.05 C ATOM 62 CG ASN A 5 -55.525 -2.267 -44.159 1.00 32.50 C ATOM 63 OD1 ASN A 5 -54.642 -2.984 -43.714 1.00 42.41 O ATOM 64 ND2 ASN A 5 -56.658 -2.751 -44.604 1.00 72.21 N ATOM 0 HA ASN A 5 -56.864 -0.378 -42.847 1.00 33.13 H new ATOM 0 HB2 ASN A 5 -55.892 -0.392 -45.121 1.00 31.05 H new ATOM 0 HB3 ASN A 5 -54.298 -0.532 -44.407 1.00 31.05 H new ATOM 0 HD21 ASN A 5 -56.825 -3.757 -44.586 1.00 72.21 H new ATOM 0 HD22 ASN A 5 -57.373 -2.122 -44.969 1.00 72.21 H new ATOM 71 N GLY A 6 -55.552 0.112 -40.651 1.00 54.42 N ATOM 72 CA GLY A 6 -54.901 -0.049 -39.392 1.00 12.04 C ATOM 73 C GLY A 6 -55.362 -1.289 -38.712 1.00 25.44 C ATOM 74 O GLY A 6 -56.188 -1.244 -37.799 1.00 33.34 O ATOM 0 H GLY A 6 -56.456 0.582 -40.597 1.00 54.42 H new ATOM 0 HA2 GLY A 6 -53.822 -0.089 -39.539 1.00 12.04 H new ATOM 0 HA3 GLY A 6 -55.105 0.815 -38.759 1.00 12.04 H new ATOM 78 N THR A 7 -54.866 -2.388 -39.172 1.00 4.45 N ATOM 79 CA THR A 7 -55.228 -3.662 -38.644 1.00 53.42 C ATOM 80 C THR A 7 -54.511 -3.912 -37.316 1.00 41.30 C ATOM 81 O THR A 7 -53.284 -3.848 -37.266 1.00 71.10 O ATOM 82 CB THR A 7 -54.817 -4.736 -39.656 1.00 73.31 C ATOM 83 OG1 THR A 7 -53.457 -4.463 -40.087 1.00 41.20 O ATOM 84 CG2 THR A 7 -55.747 -4.731 -40.864 1.00 41.02 C ATOM 0 H THR A 7 -54.190 -2.428 -39.934 1.00 4.45 H new ATOM 0 HA THR A 7 -56.303 -3.693 -38.467 1.00 53.42 H new ATOM 0 HB THR A 7 -54.881 -5.717 -39.185 1.00 73.31 H new ATOM 0 HG1 THR A 7 -52.933 -4.135 -39.327 1.00 41.20 H new ATOM 0 HG21 THR A 7 -55.434 -5.502 -41.567 1.00 41.02 H new ATOM 0 HG22 THR A 7 -56.768 -4.930 -40.538 1.00 41.02 H new ATOM 0 HG23 THR A 7 -55.705 -3.757 -41.351 1.00 41.02 H new ATOM 92 N PRO A 8 -55.249 -4.192 -36.231 1.00 64.00 N ATOM 93 CA PRO A 8 -54.636 -4.488 -34.950 1.00 75.53 C ATOM 94 C PRO A 8 -53.848 -5.789 -35.027 1.00 33.32 C ATOM 95 O PRO A 8 -54.250 -6.731 -35.738 1.00 42.03 O ATOM 96 CB PRO A 8 -55.815 -4.610 -33.982 1.00 5.00 C ATOM 97 CG PRO A 8 -57.005 -4.850 -34.836 1.00 75.21 C ATOM 98 CD PRO A 8 -56.720 -4.219 -36.168 1.00 12.51 C ATOM 0 HA PRO A 8 -53.927 -3.722 -34.634 1.00 75.53 H new ATOM 0 HB2 PRO A 8 -55.664 -5.430 -33.280 1.00 5.00 H new ATOM 0 HB3 PRO A 8 -55.933 -3.702 -33.391 1.00 5.00 H new ATOM 0 HG2 PRO A 8 -57.192 -5.918 -34.947 1.00 75.21 H new ATOM 0 HG3 PRO A 8 -57.897 -4.415 -34.386 1.00 75.21 H new ATOM 0 HD2 PRO A 8 -57.146 -4.800 -36.986 1.00 12.51 H new ATOM 0 HD3 PRO A 8 -57.143 -3.217 -36.235 1.00 12.51 H new ATOM 106 N GLU A 9 -52.771 -5.855 -34.299 1.00 40.43 N ATOM 107 CA GLU A 9 -51.865 -6.972 -34.352 1.00 70.55 C ATOM 108 C GLU A 9 -52.538 -8.211 -33.761 1.00 1.05 C ATOM 109 O GLU A 9 -53.014 -8.173 -32.611 1.00 61.05 O ATOM 110 CB GLU A 9 -50.559 -6.668 -33.569 1.00 43.41 C ATOM 111 CG GLU A 9 -49.805 -5.381 -33.967 1.00 3.51 C ATOM 112 CD GLU A 9 -50.435 -4.101 -33.427 1.00 21.32 C ATOM 113 OE1 GLU A 9 -51.350 -3.553 -34.062 1.00 72.52 O ATOM 114 OE2 GLU A 9 -50.028 -3.636 -32.341 1.00 0.41 O ATOM 0 H GLU A 9 -52.491 -5.126 -33.642 1.00 40.43 H new ATOM 0 HA GLU A 9 -51.608 -7.154 -35.396 1.00 70.55 H new ATOM 0 HB2 GLU A 9 -50.803 -6.607 -32.508 1.00 43.41 H new ATOM 0 HB3 GLU A 9 -49.882 -7.513 -33.693 1.00 43.41 H new ATOM 0 HG2 GLU A 9 -48.778 -5.448 -33.608 1.00 3.51 H new ATOM 0 HG3 GLU A 9 -49.759 -5.321 -35.054 1.00 3.51 H new ATOM 121 N PRO A 10 -52.628 -9.313 -34.570 1.00 15.05 N ATOM 122 CA PRO A 10 -53.273 -10.589 -34.175 1.00 71.24 C ATOM 123 C PRO A 10 -52.779 -11.103 -32.831 1.00 11.54 C ATOM 124 O PRO A 10 -51.688 -10.734 -32.389 1.00 41.15 O ATOM 125 CB PRO A 10 -52.861 -11.551 -35.286 1.00 45.15 C ATOM 126 CG PRO A 10 -52.675 -10.681 -36.473 1.00 73.40 C ATOM 127 CD PRO A 10 -52.095 -9.396 -35.952 1.00 2.50 C ATOM 0 HA PRO A 10 -54.351 -10.476 -34.059 1.00 71.24 H new ATOM 0 HB2 PRO A 10 -51.943 -12.081 -35.033 1.00 45.15 H new ATOM 0 HB3 PRO A 10 -53.627 -12.306 -35.462 1.00 45.15 H new ATOM 0 HG2 PRO A 10 -52.007 -11.146 -37.198 1.00 73.40 H new ATOM 0 HG3 PRO A 10 -53.623 -10.505 -36.981 1.00 73.40 H new ATOM 0 HD2 PRO A 10 -51.005 -9.414 -35.962 1.00 2.50 H new ATOM 0 HD3 PRO A 10 -52.405 -8.542 -36.554 1.00 2.50 H new ATOM 135 N GLN A 11 -53.572 -11.965 -32.213 1.00 11.53 N ATOM 136 CA GLN A 11 -53.317 -12.481 -30.872 1.00 73.22 C ATOM 137 C GLN A 11 -51.901 -13.038 -30.721 1.00 63.21 C ATOM 138 O GLN A 11 -51.557 -14.089 -31.287 1.00 22.23 O ATOM 139 CB GLN A 11 -54.338 -13.562 -30.514 1.00 43.32 C ATOM 140 CG GLN A 11 -54.321 -13.968 -29.046 1.00 34.32 C ATOM 141 CD GLN A 11 -54.725 -12.826 -28.127 1.00 41.00 C ATOM 142 OE1 GLN A 11 -55.515 -11.961 -28.496 1.00 60.15 O ATOM 143 NE2 GLN A 11 -54.197 -12.804 -26.942 1.00 25.03 N ATOM 0 H GLN A 11 -54.425 -12.333 -32.634 1.00 11.53 H new ATOM 0 HA GLN A 11 -53.415 -11.640 -30.185 1.00 73.22 H new ATOM 0 HB2 GLN A 11 -55.335 -13.204 -30.770 1.00 43.32 H new ATOM 0 HB3 GLN A 11 -54.148 -14.444 -31.126 1.00 43.32 H new ATOM 0 HG2 GLN A 11 -54.998 -14.809 -28.896 1.00 34.32 H new ATOM 0 HG3 GLN A 11 -53.322 -14.311 -28.778 1.00 34.32 H new ATOM 0 HE21 GLN A 11 -53.544 -13.535 -26.661 1.00 25.03 H new ATOM 0 HE22 GLN A 11 -54.435 -12.056 -26.291 1.00 25.03 H new ATOM 152 N VAL A 12 -51.082 -12.302 -30.013 1.00 33.43 N ATOM 153 CA VAL A 12 -49.750 -12.731 -29.701 1.00 65.22 C ATOM 154 C VAL A 12 -49.830 -13.612 -28.457 1.00 10.24 C ATOM 155 O VAL A 12 -50.706 -13.409 -27.604 1.00 14.11 O ATOM 156 CB VAL A 12 -48.787 -11.510 -29.478 1.00 53.24 C ATOM 157 CG1 VAL A 12 -49.204 -10.652 -28.289 1.00 34.52 C ATOM 158 CG2 VAL A 12 -47.335 -11.953 -29.345 1.00 34.05 C ATOM 0 H VAL A 12 -51.325 -11.385 -29.637 1.00 33.43 H new ATOM 0 HA VAL A 12 -49.334 -13.295 -30.536 1.00 65.22 H new ATOM 0 HB VAL A 12 -48.869 -10.889 -30.370 1.00 53.24 H new ATOM 0 HG11 VAL A 12 -48.507 -9.822 -28.177 1.00 34.52 H new ATOM 0 HG12 VAL A 12 -50.208 -10.263 -28.456 1.00 34.52 H new ATOM 0 HG13 VAL A 12 -49.195 -11.257 -27.383 1.00 34.52 H new ATOM 0 HG21 VAL A 12 -46.701 -11.080 -29.192 1.00 34.05 H new ATOM 0 HG22 VAL A 12 -47.237 -12.627 -28.494 1.00 34.05 H new ATOM 0 HG23 VAL A 12 -47.028 -12.470 -30.254 1.00 34.05 H new ATOM 168 N GLU A 13 -48.984 -14.585 -28.376 1.00 73.32 N ATOM 169 CA GLU A 13 -48.984 -15.496 -27.275 1.00 52.53 C ATOM 170 C GLU A 13 -47.804 -15.133 -26.383 1.00 21.14 C ATOM 171 O GLU A 13 -46.658 -15.084 -26.843 1.00 32.40 O ATOM 172 CB GLU A 13 -48.875 -16.925 -27.846 1.00 54.11 C ATOM 173 CG GLU A 13 -49.114 -18.092 -26.886 1.00 21.41 C ATOM 174 CD GLU A 13 -48.132 -18.189 -25.753 1.00 43.20 C ATOM 175 OE1 GLU A 13 -46.910 -18.326 -26.013 1.00 31.10 O ATOM 176 OE2 GLU A 13 -48.572 -18.184 -24.576 1.00 61.12 O ATOM 0 H GLU A 13 -48.267 -14.773 -29.076 1.00 73.32 H new ATOM 0 HA GLU A 13 -49.894 -15.442 -26.678 1.00 52.53 H new ATOM 0 HB2 GLU A 13 -49.587 -17.014 -28.667 1.00 54.11 H new ATOM 0 HB3 GLU A 13 -47.879 -17.041 -28.274 1.00 54.11 H new ATOM 0 HG2 GLU A 13 -50.118 -18.003 -26.471 1.00 21.41 H new ATOM 0 HG3 GLU A 13 -49.085 -19.022 -27.453 1.00 21.41 H new ATOM 183 N THR A 14 -48.074 -14.825 -25.152 1.00 12.21 N ATOM 184 CA THR A 14 -47.038 -14.469 -24.226 1.00 52.21 C ATOM 185 C THR A 14 -47.252 -15.238 -22.921 1.00 24.14 C ATOM 186 O THR A 14 -48.295 -15.090 -22.279 1.00 13.21 O ATOM 187 CB THR A 14 -47.084 -12.952 -23.949 1.00 12.42 C ATOM 188 OG1 THR A 14 -47.183 -12.241 -25.206 1.00 13.24 O ATOM 189 CG2 THR A 14 -45.823 -12.497 -23.226 1.00 13.33 C ATOM 0 H THR A 14 -49.015 -14.813 -24.759 1.00 12.21 H new ATOM 0 HA THR A 14 -46.065 -14.722 -24.648 1.00 52.21 H new ATOM 0 HB THR A 14 -47.949 -12.740 -23.321 1.00 12.42 H new ATOM 0 HG1 THR A 14 -47.214 -11.277 -25.035 1.00 13.24 H new ATOM 0 HG21 THR A 14 -45.877 -11.424 -23.041 1.00 13.33 H new ATOM 0 HG22 THR A 14 -45.737 -13.025 -22.276 1.00 13.33 H new ATOM 0 HG23 THR A 14 -44.951 -12.715 -23.843 1.00 13.33 H new ATOM 197 N THR A 15 -46.288 -16.037 -22.526 1.00 71.14 N ATOM 198 CA THR A 15 -46.418 -16.821 -21.359 1.00 53.25 C ATOM 199 C THR A 15 -45.397 -16.367 -20.323 1.00 42.53 C ATOM 200 O THR A 15 -44.222 -16.107 -20.635 1.00 72.11 O ATOM 201 CB THR A 15 -46.313 -18.366 -21.662 1.00 13.22 C ATOM 202 OG1 THR A 15 -46.697 -19.141 -20.513 1.00 60.14 O ATOM 203 CG2 THR A 15 -44.906 -18.779 -22.089 1.00 20.34 C ATOM 0 H THR A 15 -45.400 -16.149 -23.016 1.00 71.14 H new ATOM 0 HA THR A 15 -47.417 -16.669 -20.951 1.00 53.25 H new ATOM 0 HB THR A 15 -46.996 -18.563 -22.488 1.00 13.22 H new ATOM 0 HG1 THR A 15 -46.626 -20.095 -20.724 1.00 60.14 H new ATOM 0 HG21 THR A 15 -44.885 -19.851 -22.286 1.00 20.34 H new ATOM 0 HG22 THR A 15 -44.627 -18.238 -22.993 1.00 20.34 H new ATOM 0 HG23 THR A 15 -44.200 -18.543 -21.293 1.00 20.34 H new ATOM 211 N SER A 16 -45.864 -16.201 -19.140 1.00 22.41 N ATOM 212 CA SER A 16 -45.059 -15.818 -18.037 1.00 44.52 C ATOM 213 C SER A 16 -44.595 -17.074 -17.333 1.00 75.24 C ATOM 214 O SER A 16 -45.397 -17.981 -17.046 1.00 70.31 O ATOM 215 CB SER A 16 -45.873 -14.930 -17.092 1.00 72.21 C ATOM 216 OG SER A 16 -46.421 -13.821 -17.799 1.00 14.14 O ATOM 0 H SER A 16 -46.848 -16.332 -18.904 1.00 22.41 H new ATOM 0 HA SER A 16 -44.192 -15.248 -18.371 1.00 44.52 H new ATOM 0 HB2 SER A 16 -46.675 -15.512 -16.637 1.00 72.21 H new ATOM 0 HB3 SER A 16 -45.238 -14.574 -16.281 1.00 72.21 H new ATOM 0 HG SER A 16 -46.940 -13.264 -17.182 1.00 14.14 H new ATOM 222 N VAL A 17 -43.331 -17.164 -17.136 1.00 31.00 N ATOM 223 CA VAL A 17 -42.740 -18.279 -16.461 1.00 72.11 C ATOM 224 C VAL A 17 -42.088 -17.781 -15.194 1.00 11.13 C ATOM 225 O VAL A 17 -41.943 -16.575 -15.012 1.00 2.01 O ATOM 226 CB VAL A 17 -41.685 -19.007 -17.342 1.00 55.13 C ATOM 227 CG1 VAL A 17 -42.327 -19.605 -18.590 1.00 70.11 C ATOM 228 CG2 VAL A 17 -40.542 -18.076 -17.729 1.00 12.42 C ATOM 0 H VAL A 17 -42.660 -16.458 -17.441 1.00 31.00 H new ATOM 0 HA VAL A 17 -43.525 -19.001 -16.237 1.00 72.11 H new ATOM 0 HB VAL A 17 -41.272 -19.819 -16.744 1.00 55.13 H new ATOM 0 HG11 VAL A 17 -41.565 -20.107 -19.186 1.00 70.11 H new ATOM 0 HG12 VAL A 17 -43.091 -20.325 -18.297 1.00 70.11 H new ATOM 0 HG13 VAL A 17 -42.784 -18.811 -19.180 1.00 70.11 H new ATOM 0 HG21 VAL A 17 -39.824 -18.618 -18.344 1.00 12.42 H new ATOM 0 HG22 VAL A 17 -40.936 -17.230 -18.292 1.00 12.42 H new ATOM 0 HG23 VAL A 17 -40.047 -17.713 -16.828 1.00 12.42 H new ATOM 616 N GLY A 45 1.603 -16.722 -0.470 1.00 22.25 N ATOM 617 CA GLY A 45 0.485 -15.878 -0.284 1.00 5.22 C ATOM 618 C GLY A 45 0.842 -14.666 0.465 1.00 24.42 C ATOM 619 O GLY A 45 0.585 -14.562 1.662 1.00 31.42 O ATOM 0 HA2 GLY A 45 0.073 -15.599 -1.254 1.00 5.22 H new ATOM 0 HA3 GLY A 45 -0.296 -16.420 0.250 1.00 5.22 H new ATOM 623 N SER A 46 1.459 -13.767 -0.209 1.00 64.13 N ATOM 624 CA SER A 46 1.810 -12.535 0.373 1.00 3.34 C ATOM 625 C SER A 46 0.667 -11.559 0.132 1.00 2.43 C ATOM 626 O SER A 46 -0.247 -11.835 -0.665 1.00 61.52 O ATOM 627 CB SER A 46 3.121 -12.037 -0.238 1.00 74.11 C ATOM 628 OG SER A 46 4.154 -13.008 -0.057 1.00 51.01 O ATOM 0 H SER A 46 1.734 -13.870 -1.186 1.00 64.13 H new ATOM 0 HA SER A 46 1.968 -12.636 1.447 1.00 3.34 H new ATOM 0 HB2 SER A 46 2.982 -11.838 -1.301 1.00 74.11 H new ATOM 0 HB3 SER A 46 3.412 -11.095 0.227 1.00 74.11 H new ATOM 0 HG SER A 46 4.905 -12.802 -0.652 1.00 51.01 H new ATOM 634 N ALA A 47 0.685 -10.468 0.810 1.00 24.02 N ATOM 635 CA ALA A 47 -0.350 -9.500 0.665 1.00 32.53 C ATOM 636 C ALA A 47 0.033 -8.499 -0.396 1.00 51.11 C ATOM 637 O ALA A 47 1.218 -8.293 -0.669 1.00 64.32 O ATOM 638 CB ALA A 47 -0.592 -8.821 1.987 1.00 45.14 C ATOM 0 H ALA A 47 1.413 -10.218 1.479 1.00 24.02 H new ATOM 0 HA ALA A 47 -1.273 -9.990 0.354 1.00 32.53 H new ATOM 0 HB1 ALA A 47 -1.384 -8.080 1.876 1.00 45.14 H new ATOM 0 HB2 ALA A 47 -0.890 -9.563 2.728 1.00 45.14 H new ATOM 0 HB3 ALA A 47 0.323 -8.328 2.315 1.00 45.14 H new ATOM 644 N LEU A 48 -0.943 -7.901 -0.995 1.00 21.21 N ATOM 645 CA LEU A 48 -0.720 -6.933 -2.017 1.00 72.20 C ATOM 646 C LEU A 48 -1.548 -5.721 -1.720 1.00 50.21 C ATOM 647 O LEU A 48 -2.627 -5.825 -1.107 1.00 3.35 O ATOM 648 CB LEU A 48 -1.031 -7.471 -3.448 1.00 62.14 C ATOM 649 CG LEU A 48 -2.503 -7.728 -3.849 1.00 3.31 C ATOM 650 CD1 LEU A 48 -2.579 -8.051 -5.330 1.00 71.33 C ATOM 651 CD2 LEU A 48 -3.115 -8.871 -3.054 1.00 65.11 C ATOM 0 H LEU A 48 -1.927 -8.072 -0.787 1.00 21.21 H new ATOM 0 HA LEU A 48 0.341 -6.682 -2.015 1.00 72.20 H new ATOM 0 HB2 LEU A 48 -0.614 -6.763 -4.164 1.00 62.14 H new ATOM 0 HB3 LEU A 48 -0.488 -8.408 -3.573 1.00 62.14 H new ATOM 0 HG LEU A 48 -3.069 -6.823 -3.629 1.00 3.31 H new ATOM 0 HD11 LEU A 48 -3.617 -8.232 -5.610 1.00 71.33 H new ATOM 0 HD12 LEU A 48 -2.188 -7.212 -5.906 1.00 71.33 H new ATOM 0 HD13 LEU A 48 -1.986 -8.942 -5.539 1.00 71.33 H new ATOM 0 HD21 LEU A 48 -4.149 -9.019 -3.366 1.00 65.11 H new ATOM 0 HD22 LEU A 48 -2.548 -9.784 -3.234 1.00 65.11 H new ATOM 0 HD23 LEU A 48 -3.088 -8.631 -1.991 1.00 65.11 H new ATOM 663 N LEU A 49 -1.058 -4.592 -2.100 1.00 11.13 N ATOM 664 CA LEU A 49 -1.774 -3.381 -1.897 1.00 53.24 C ATOM 665 C LEU A 49 -2.193 -2.819 -3.222 1.00 54.20 C ATOM 666 O LEU A 49 -1.437 -2.886 -4.202 1.00 0.42 O ATOM 667 CB LEU A 49 -0.977 -2.370 -1.029 1.00 60.23 C ATOM 668 CG LEU A 49 0.421 -1.902 -1.498 1.00 2.12 C ATOM 669 CD1 LEU A 49 0.338 -0.861 -2.606 1.00 60.04 C ATOM 670 CD2 LEU A 49 1.227 -1.373 -0.322 1.00 22.10 C ATOM 0 H LEU A 49 -0.153 -4.482 -2.558 1.00 11.13 H new ATOM 0 HA LEU A 49 -2.677 -3.594 -1.325 1.00 53.24 H new ATOM 0 HB2 LEU A 49 -1.597 -1.481 -0.911 1.00 60.23 H new ATOM 0 HB3 LEU A 49 -0.859 -2.811 -0.039 1.00 60.23 H new ATOM 0 HG LEU A 49 0.931 -2.771 -1.914 1.00 2.12 H new ATOM 0 HD11 LEU A 49 1.344 -0.563 -2.902 1.00 60.04 H new ATOM 0 HD12 LEU A 49 -0.182 -1.285 -3.465 1.00 60.04 H new ATOM 0 HD13 LEU A 49 -0.207 0.011 -2.246 1.00 60.04 H new ATOM 0 HD21 LEU A 49 2.208 -1.048 -0.670 1.00 22.10 H new ATOM 0 HD22 LEU A 49 0.704 -0.529 0.128 1.00 22.10 H new ATOM 0 HD23 LEU A 49 1.348 -2.162 0.420 1.00 22.10 H new ATOM 682 N VAL A 50 -3.391 -2.330 -3.275 1.00 11.33 N ATOM 683 CA VAL A 50 -3.925 -1.756 -4.470 1.00 31.10 C ATOM 684 C VAL A 50 -4.150 -0.285 -4.223 1.00 61.24 C ATOM 685 O VAL A 50 -4.900 0.091 -3.310 1.00 63.14 O ATOM 686 CB VAL A 50 -5.276 -2.408 -4.870 1.00 44.14 C ATOM 687 CG1 VAL A 50 -5.770 -1.881 -6.213 1.00 51.43 C ATOM 688 CG2 VAL A 50 -5.188 -3.934 -4.871 1.00 21.23 C ATOM 0 H VAL A 50 -4.033 -2.318 -2.482 1.00 11.33 H new ATOM 0 HA VAL A 50 -3.218 -1.924 -5.283 1.00 31.10 H new ATOM 0 HB VAL A 50 -6.008 -2.126 -4.114 1.00 44.14 H new ATOM 0 HG11 VAL A 50 -6.718 -2.357 -6.464 1.00 51.43 H new ATOM 0 HG12 VAL A 50 -5.911 -0.802 -6.151 1.00 51.43 H new ATOM 0 HG13 VAL A 50 -5.035 -2.107 -6.985 1.00 51.43 H new ATOM 0 HG21 VAL A 50 -6.153 -4.354 -5.156 1.00 21.23 H new ATOM 0 HG22 VAL A 50 -4.428 -4.254 -5.584 1.00 21.23 H new ATOM 0 HG23 VAL A 50 -4.920 -4.284 -3.874 1.00 21.23 H new ATOM 698 N VAL A 51 -3.506 0.541 -4.990 1.00 23.10 N ATOM 699 CA VAL A 51 -3.684 1.952 -4.850 1.00 34.11 C ATOM 700 C VAL A 51 -4.757 2.368 -5.807 1.00 24.22 C ATOM 701 O VAL A 51 -4.614 2.225 -7.027 1.00 74.43 O ATOM 702 CB VAL A 51 -2.386 2.745 -5.128 1.00 50.30 C ATOM 703 CG1 VAL A 51 -2.596 4.213 -4.809 1.00 34.33 C ATOM 704 CG2 VAL A 51 -1.230 2.186 -4.313 1.00 64.34 C ATOM 0 H VAL A 51 -2.851 0.261 -5.720 1.00 23.10 H new ATOM 0 HA VAL A 51 -3.962 2.173 -3.819 1.00 34.11 H new ATOM 0 HB VAL A 51 -2.137 2.645 -6.185 1.00 50.30 H new ATOM 0 HG11 VAL A 51 -1.677 4.764 -5.008 1.00 34.33 H new ATOM 0 HG12 VAL A 51 -3.398 4.609 -5.431 1.00 34.33 H new ATOM 0 HG13 VAL A 51 -2.864 4.322 -3.758 1.00 34.33 H new ATOM 0 HG21 VAL A 51 -0.326 2.758 -4.523 1.00 64.34 H new ATOM 0 HG22 VAL A 51 -1.466 2.257 -3.251 1.00 64.34 H new ATOM 0 HG23 VAL A 51 -1.068 1.142 -4.580 1.00 64.34 H new ATOM 714 N LYS A 52 -5.836 2.836 -5.256 1.00 62.53 N ATOM 715 CA LYS A 52 -6.981 3.197 -6.027 1.00 11.04 C ATOM 716 C LYS A 52 -6.837 4.615 -6.534 1.00 63.31 C ATOM 717 O LYS A 52 -7.147 4.915 -7.695 1.00 21.02 O ATOM 718 CB LYS A 52 -8.242 3.028 -5.168 1.00 42.13 C ATOM 719 CG LYS A 52 -9.544 3.315 -5.890 1.00 20.10 C ATOM 720 CD LYS A 52 -10.763 3.078 -5.000 1.00 40.25 C ATOM 721 CE LYS A 52 -10.909 1.617 -4.583 1.00 21.11 C ATOM 722 NZ LYS A 52 -12.147 1.385 -3.802 1.00 51.53 N ATOM 0 H LYS A 52 -5.945 2.978 -4.252 1.00 62.53 H new ATOM 0 HA LYS A 52 -7.068 2.545 -6.896 1.00 11.04 H new ATOM 0 HB2 LYS A 52 -8.271 2.007 -4.787 1.00 42.13 H new ATOM 0 HB3 LYS A 52 -8.168 3.689 -4.304 1.00 42.13 H new ATOM 0 HG2 LYS A 52 -9.545 4.348 -6.237 1.00 20.10 H new ATOM 0 HG3 LYS A 52 -9.614 2.682 -6.775 1.00 20.10 H new ATOM 0 HD2 LYS A 52 -10.684 3.700 -4.109 1.00 40.25 H new ATOM 0 HD3 LYS A 52 -11.662 3.393 -5.530 1.00 40.25 H new ATOM 0 HE2 LYS A 52 -10.917 0.985 -5.471 1.00 21.11 H new ATOM 0 HE3 LYS A 52 -10.044 1.321 -3.989 1.00 21.11 H new ATOM 0 HZ1 LYS A 52 -12.208 0.381 -3.538 1.00 51.53 H new ATOM 0 HZ2 LYS A 52 -12.129 1.968 -2.941 1.00 51.53 H new ATOM 0 HZ3 LYS A 52 -12.974 1.643 -4.378 1.00 51.53 H new ATOM 736 N ARG A 53 -6.322 5.471 -5.684 1.00 31.23 N ATOM 737 CA ARG A 53 -6.157 6.877 -6.000 1.00 11.04 C ATOM 738 C ARG A 53 -4.904 7.402 -5.377 1.00 41.34 C ATOM 739 O ARG A 53 -4.453 6.876 -4.357 1.00 25.41 O ATOM 740 CB ARG A 53 -7.360 7.720 -5.538 1.00 32.13 C ATOM 741 CG ARG A 53 -8.615 7.560 -6.385 1.00 71.22 C ATOM 742 CD ARG A 53 -8.360 8.010 -7.814 1.00 43.52 C ATOM 743 NE ARG A 53 -9.563 7.999 -8.643 1.00 33.15 N ATOM 744 CZ ARG A 53 -9.574 8.163 -9.969 1.00 35.21 C ATOM 745 NH1 ARG A 53 -8.433 8.163 -10.660 1.00 24.41 N ATOM 746 NH2 ARG A 53 -10.727 8.274 -10.607 1.00 75.12 N ATOM 0 H ARG A 53 -6.003 5.215 -4.750 1.00 31.23 H new ATOM 0 HA ARG A 53 -6.091 6.959 -7.085 1.00 11.04 H new ATOM 0 HB2 ARG A 53 -7.598 7.454 -4.508 1.00 32.13 H new ATOM 0 HB3 ARG A 53 -7.071 8.771 -5.538 1.00 32.13 H new ATOM 0 HG2 ARG A 53 -8.934 6.518 -6.378 1.00 71.22 H new ATOM 0 HG3 ARG A 53 -9.428 8.145 -5.954 1.00 71.22 H new ATOM 0 HD2 ARG A 53 -7.944 9.017 -7.802 1.00 43.52 H new ATOM 0 HD3 ARG A 53 -7.610 7.360 -8.265 1.00 43.52 H new ATOM 0 HE ARG A 53 -10.459 7.856 -8.176 1.00 33.15 H new ATOM 0 HH11 ARG A 53 -7.544 8.037 -10.176 1.00 24.41 H new ATOM 0 HH12 ARG A 53 -8.450 8.289 -11.672 1.00 24.41 H new ATOM 0 HH21 ARG A 53 -11.604 8.234 -10.087 1.00 75.12 H new ATOM 0 HH22 ARG A 53 -10.740 8.399 -11.619 1.00 75.12 H new ATOM 760 N GLY A 54 -4.359 8.426 -5.977 1.00 32.24 N ATOM 761 CA GLY A 54 -3.166 9.032 -5.485 1.00 35.34 C ATOM 762 C GLY A 54 -2.150 9.238 -6.589 1.00 10.43 C ATOM 763 O GLY A 54 -2.038 8.402 -7.473 1.00 43.22 O ATOM 0 H GLY A 54 -4.735 8.859 -6.821 1.00 32.24 H new ATOM 0 HA2 GLY A 54 -3.407 9.992 -5.027 1.00 35.34 H new ATOM 0 HA3 GLY A 54 -2.734 8.406 -4.704 1.00 35.34 H new ATOM 767 N PRO A 55 -1.424 10.374 -6.610 1.00 13.11 N ATOM 768 CA PRO A 55 -0.354 10.610 -7.589 1.00 61.42 C ATOM 769 C PRO A 55 0.853 9.692 -7.337 1.00 33.34 C ATOM 770 O PRO A 55 1.729 9.546 -8.183 1.00 14.25 O ATOM 771 CB PRO A 55 0.027 12.079 -7.379 1.00 10.05 C ATOM 772 CG PRO A 55 -1.046 12.654 -6.519 1.00 5.13 C ATOM 773 CD PRO A 55 -1.590 11.519 -5.717 1.00 35.40 C ATOM 0 HA PRO A 55 -0.676 10.398 -8.609 1.00 61.42 H new ATOM 0 HB2 PRO A 55 1.002 12.166 -6.900 1.00 10.05 H new ATOM 0 HB3 PRO A 55 0.091 12.607 -8.330 1.00 10.05 H new ATOM 0 HG2 PRO A 55 -0.648 13.434 -5.870 1.00 5.13 H new ATOM 0 HG3 PRO A 55 -1.827 13.112 -7.125 1.00 5.13 H new ATOM 0 HD2 PRO A 55 -1.042 11.386 -4.784 1.00 35.40 H new ATOM 0 HD3 PRO A 55 -2.636 11.676 -5.453 1.00 35.40 H new ATOM 781 N ASN A 56 0.868 9.096 -6.149 1.00 62.13 N ATOM 782 CA ASN A 56 1.894 8.156 -5.711 1.00 10.55 C ATOM 783 C ASN A 56 1.927 6.911 -6.612 1.00 61.40 C ATOM 784 O ASN A 56 2.977 6.539 -7.135 1.00 54.11 O ATOM 785 CB ASN A 56 1.632 7.761 -4.232 1.00 50.34 C ATOM 786 CG ASN A 56 0.250 7.211 -3.951 1.00 73.45 C ATOM 787 OD1 ASN A 56 -0.683 7.967 -3.749 1.00 44.44 O ATOM 788 ND2 ASN A 56 0.120 5.915 -3.880 1.00 24.40 N ATOM 0 H ASN A 56 0.147 9.258 -5.445 1.00 62.13 H new ATOM 0 HA ASN A 56 2.869 8.637 -5.787 1.00 10.55 H new ATOM 0 HB2 ASN A 56 2.370 7.016 -3.935 1.00 50.34 H new ATOM 0 HB3 ASN A 56 1.792 8.637 -3.604 1.00 50.34 H new ATOM 0 HD21 ASN A 56 -0.785 5.505 -3.649 1.00 24.40 H new ATOM 0 HD22 ASN A 56 0.923 5.311 -4.055 1.00 24.40 H new ATOM 795 N ALA A 57 0.772 6.323 -6.860 1.00 34.13 N ATOM 796 CA ALA A 57 0.674 5.105 -7.635 1.00 22.20 C ATOM 797 C ALA A 57 -0.774 4.879 -8.004 1.00 10.14 C ATOM 798 O ALA A 57 -1.648 5.569 -7.505 1.00 1.12 O ATOM 799 CB ALA A 57 1.204 3.918 -6.824 1.00 23.25 C ATOM 0 H ALA A 57 -0.125 6.678 -6.528 1.00 34.13 H new ATOM 0 HA ALA A 57 1.274 5.196 -8.540 1.00 22.20 H new ATOM 0 HB1 ALA A 57 1.125 3.007 -7.418 1.00 23.25 H new ATOM 0 HB2 ALA A 57 2.248 4.092 -6.564 1.00 23.25 H new ATOM 0 HB3 ALA A 57 0.616 3.809 -5.912 1.00 23.25 H new ATOM 805 N GLY A 58 -1.013 3.921 -8.854 1.00 13.43 N ATOM 806 CA GLY A 58 -2.354 3.594 -9.271 1.00 21.44 C ATOM 807 C GLY A 58 -2.418 2.163 -9.723 1.00 34.03 C ATOM 808 O GLY A 58 -3.211 1.795 -10.601 1.00 43.11 O ATOM 0 H GLY A 58 -0.288 3.343 -9.279 1.00 13.43 H new ATOM 0 HA2 GLY A 58 -3.049 3.755 -8.447 1.00 21.44 H new ATOM 0 HA3 GLY A 58 -2.662 4.254 -10.082 1.00 21.44 H new ATOM 812 N ALA A 59 -1.577 1.358 -9.130 1.00 53.10 N ATOM 813 CA ALA A 59 -1.464 -0.033 -9.470 1.00 62.43 C ATOM 814 C ALA A 59 -1.461 -0.858 -8.202 1.00 43.10 C ATOM 815 O ALA A 59 -1.748 -0.333 -7.112 1.00 22.24 O ATOM 816 CB ALA A 59 -0.191 -0.271 -10.273 1.00 65.33 C ATOM 0 H ALA A 59 -0.944 1.655 -8.388 1.00 53.10 H new ATOM 0 HA ALA A 59 -2.314 -0.332 -10.084 1.00 62.43 H new ATOM 0 HB1 ALA A 59 -0.113 -1.328 -10.527 1.00 65.33 H new ATOM 0 HB2 ALA A 59 -0.222 0.320 -11.188 1.00 65.33 H new ATOM 0 HB3 ALA A 59 0.674 0.024 -9.679 1.00 65.33 H new ATOM 822 N ARG A 60 -1.133 -2.118 -8.324 1.00 20.51 N ATOM 823 CA ARG A 60 -1.107 -3.000 -7.199 1.00 53.14 C ATOM 824 C ARG A 60 0.157 -3.830 -7.247 1.00 73.30 C ATOM 825 O ARG A 60 0.564 -4.281 -8.315 1.00 32.24 O ATOM 826 CB ARG A 60 -2.356 -3.900 -7.196 1.00 73.10 C ATOM 827 CG ARG A 60 -2.476 -4.836 -8.390 1.00 33.44 C ATOM 828 CD ARG A 60 -3.780 -5.605 -8.368 1.00 54.53 C ATOM 829 NE ARG A 60 -4.945 -4.734 -8.601 1.00 75.03 N ATOM 830 CZ ARG A 60 -6.209 -5.024 -8.250 1.00 5.10 C ATOM 831 NH1 ARG A 60 -6.481 -6.147 -7.588 1.00 5.14 N ATOM 832 NH2 ARG A 60 -7.200 -4.192 -8.567 1.00 4.41 N ATOM 0 H ARG A 60 -0.877 -2.556 -9.209 1.00 20.51 H new ATOM 0 HA ARG A 60 -1.114 -2.417 -6.278 1.00 53.14 H new ATOM 0 HB2 ARG A 60 -2.353 -4.497 -6.284 1.00 73.10 H new ATOM 0 HB3 ARG A 60 -3.242 -3.266 -7.159 1.00 73.10 H new ATOM 0 HG2 ARG A 60 -2.409 -4.260 -9.313 1.00 33.44 H new ATOM 0 HG3 ARG A 60 -1.640 -5.536 -8.390 1.00 33.44 H new ATOM 0 HD2 ARG A 60 -3.753 -6.384 -9.130 1.00 54.53 H new ATOM 0 HD3 ARG A 60 -3.889 -6.104 -7.405 1.00 54.53 H new ATOM 0 HE ARG A 60 -4.779 -3.841 -9.065 1.00 75.03 H new ATOM 0 HH11 ARG A 60 -5.728 -6.791 -7.345 1.00 5.14 H new ATOM 0 HH12 ARG A 60 -7.442 -6.363 -7.324 1.00 5.14 H new ATOM 0 HH21 ARG A 60 -7.000 -3.332 -9.078 1.00 4.41 H new ATOM 0 HH22 ARG A 60 -8.159 -4.415 -8.299 1.00 4.41 H new ATOM 846 N PHE A 61 0.797 -4.001 -6.137 1.00 73.03 N ATOM 847 CA PHE A 61 1.988 -4.814 -6.108 1.00 51.31 C ATOM 848 C PHE A 61 1.968 -5.736 -4.926 1.00 13.01 C ATOM 849 O PHE A 61 1.386 -5.408 -3.882 1.00 31.10 O ATOM 850 CB PHE A 61 3.299 -3.986 -6.187 1.00 14.30 C ATOM 851 CG PHE A 61 3.556 -3.011 -5.064 1.00 52.31 C ATOM 852 CD1 PHE A 61 4.197 -3.421 -3.899 1.00 10.24 C ATOM 853 CD2 PHE A 61 3.194 -1.680 -5.187 1.00 35.42 C ATOM 854 CE1 PHE A 61 4.459 -2.526 -2.884 1.00 42.50 C ATOM 855 CE2 PHE A 61 3.460 -0.778 -4.175 1.00 73.22 C ATOM 856 CZ PHE A 61 4.091 -1.202 -3.021 1.00 31.23 C ATOM 0 H PHE A 61 0.526 -3.597 -5.241 1.00 73.03 H new ATOM 0 HA PHE A 61 1.981 -5.422 -7.013 1.00 51.31 H new ATOM 0 HB2 PHE A 61 4.138 -4.681 -6.232 1.00 14.30 H new ATOM 0 HB3 PHE A 61 3.294 -3.431 -7.125 1.00 14.30 H new ATOM 0 HD1 PHE A 61 4.493 -4.454 -3.789 1.00 10.24 H new ATOM 0 HD2 PHE A 61 2.698 -1.343 -6.085 1.00 35.42 H new ATOM 0 HE1 PHE A 61 4.951 -2.860 -1.983 1.00 42.50 H new ATOM 0 HE2 PHE A 61 3.175 0.258 -4.286 1.00 73.22 H new ATOM 0 HZ PHE A 61 4.296 -0.499 -2.227 1.00 31.23 H new ATOM 866 N LEU A 62 2.568 -6.883 -5.104 1.00 74.43 N ATOM 867 CA LEU A 62 2.619 -7.914 -4.103 1.00 43.02 C ATOM 868 C LEU A 62 3.816 -7.651 -3.201 1.00 54.41 C ATOM 869 O LEU A 62 4.957 -7.557 -3.688 1.00 44.15 O ATOM 870 CB LEU A 62 2.757 -9.266 -4.809 1.00 72.25 C ATOM 871 CG LEU A 62 2.659 -10.521 -3.950 1.00 31.14 C ATOM 872 CD1 LEU A 62 1.276 -10.643 -3.339 1.00 21.32 C ATOM 873 CD2 LEU A 62 2.980 -11.743 -4.782 1.00 32.42 C ATOM 0 H LEU A 62 3.046 -7.132 -5.970 1.00 74.43 H new ATOM 0 HA LEU A 62 1.714 -7.922 -3.496 1.00 43.02 H new ATOM 0 HB2 LEU A 62 1.987 -9.324 -5.578 1.00 72.25 H new ATOM 0 HB3 LEU A 62 3.720 -9.282 -5.320 1.00 72.25 H new ATOM 0 HG LEU A 62 3.384 -10.447 -3.139 1.00 31.14 H new ATOM 0 HD11 LEU A 62 1.226 -11.545 -2.729 1.00 21.32 H new ATOM 0 HD12 LEU A 62 1.076 -9.772 -2.715 1.00 21.32 H new ATOM 0 HD13 LEU A 62 0.531 -10.700 -4.133 1.00 21.32 H new ATOM 0 HD21 LEU A 62 2.908 -12.636 -4.161 1.00 32.42 H new ATOM 0 HD22 LEU A 62 2.272 -11.817 -5.608 1.00 32.42 H new ATOM 0 HD23 LEU A 62 3.992 -11.658 -5.178 1.00 32.42 H new ATOM 885 N LEU A 63 3.575 -7.519 -1.920 1.00 53.41 N ATOM 886 CA LEU A 63 4.631 -7.187 -0.994 1.00 1.11 C ATOM 887 C LEU A 63 5.389 -8.412 -0.564 1.00 73.05 C ATOM 888 O LEU A 63 4.844 -9.299 0.097 1.00 23.41 O ATOM 889 CB LEU A 63 4.119 -6.453 0.271 1.00 4.21 C ATOM 890 CG LEU A 63 3.549 -5.030 0.116 1.00 1.22 C ATOM 891 CD1 LEU A 63 2.228 -5.026 -0.623 1.00 43.21 C ATOM 892 CD2 LEU A 63 3.396 -4.374 1.477 1.00 35.10 C ATOM 0 H LEU A 63 2.656 -7.636 -1.494 1.00 53.41 H new ATOM 0 HA LEU A 63 5.291 -6.512 -1.539 1.00 1.11 H new ATOM 0 HB2 LEU A 63 3.345 -7.073 0.723 1.00 4.21 H new ATOM 0 HB3 LEU A 63 4.944 -6.404 0.982 1.00 4.21 H new ATOM 0 HG LEU A 63 4.258 -4.456 -0.481 1.00 1.22 H new ATOM 0 HD11 LEU A 63 1.863 -4.003 -0.710 1.00 43.21 H new ATOM 0 HD12 LEU A 63 2.367 -5.447 -1.619 1.00 43.21 H new ATOM 0 HD13 LEU A 63 1.502 -5.625 -0.074 1.00 43.21 H new ATOM 0 HD21 LEU A 63 2.992 -3.369 1.353 1.00 35.10 H new ATOM 0 HD22 LEU A 63 2.717 -4.965 2.091 1.00 35.10 H new ATOM 0 HD23 LEU A 63 4.369 -4.317 1.965 1.00 35.10 H new ATOM 904 N ASP A 64 6.632 -8.453 -0.943 1.00 62.35 N ATOM 905 CA ASP A 64 7.555 -9.486 -0.486 1.00 23.10 C ATOM 906 C ASP A 64 8.793 -8.826 0.023 1.00 20.24 C ATOM 907 O ASP A 64 9.778 -9.472 0.378 1.00 31.43 O ATOM 908 CB ASP A 64 7.910 -10.507 -1.570 1.00 75.11 C ATOM 909 CG ASP A 64 6.816 -11.506 -1.842 1.00 1.01 C ATOM 910 OD1 ASP A 64 6.545 -12.359 -0.971 1.00 51.03 O ATOM 911 OD2 ASP A 64 6.221 -11.486 -2.938 1.00 72.41 O ATOM 0 H ASP A 64 7.050 -7.775 -1.580 1.00 62.35 H new ATOM 0 HA ASP A 64 7.057 -10.048 0.304 1.00 23.10 H new ATOM 0 HB2 ASP A 64 8.144 -9.977 -2.493 1.00 75.11 H new ATOM 0 HB3 ASP A 64 8.812 -11.041 -1.272 1.00 75.11 H new ATOM 916 N GLN A 65 8.723 -7.527 0.085 1.00 40.33 N ATOM 917 CA GLN A 65 9.804 -6.726 0.543 1.00 60.14 C ATOM 918 C GLN A 65 9.672 -6.578 2.041 1.00 34.15 C ATOM 919 O GLN A 65 8.629 -6.120 2.514 1.00 73.30 O ATOM 920 CB GLN A 65 9.734 -5.371 -0.131 1.00 33.54 C ATOM 921 CG GLN A 65 10.911 -4.448 0.133 1.00 4.34 C ATOM 922 CD GLN A 65 10.763 -3.127 -0.596 1.00 12.23 C ATOM 923 OE1 GLN A 65 11.271 -2.093 -0.168 1.00 61.13 O ATOM 924 NE2 GLN A 65 10.035 -3.139 -1.668 1.00 4.22 N ATOM 0 H GLN A 65 7.897 -6.994 -0.187 1.00 40.33 H new ATOM 0 HA GLN A 65 10.763 -7.186 0.303 1.00 60.14 H new ATOM 0 HB2 GLN A 65 9.649 -5.524 -1.207 1.00 33.54 H new ATOM 0 HB3 GLN A 65 8.822 -4.870 0.193 1.00 33.54 H new ATOM 0 HG2 GLN A 65 10.997 -4.265 1.204 1.00 4.34 H new ATOM 0 HG3 GLN A 65 11.834 -4.936 -0.182 1.00 4.34 H new ATOM 0 HE21 GLN A 65 9.627 -4.014 -1.998 1.00 4.22 H new ATOM 0 HE22 GLN A 65 9.870 -2.274 -2.182 1.00 4.22 H new ATOM 933 N PRO A 66 10.717 -6.966 2.807 1.00 23.34 N ATOM 934 CA PRO A 66 10.705 -6.921 4.281 1.00 20.32 C ATOM 935 C PRO A 66 10.283 -5.547 4.811 1.00 64.54 C ATOM 936 O PRO A 66 9.484 -5.440 5.736 1.00 4.24 O ATOM 937 CB PRO A 66 12.164 -7.235 4.668 1.00 30.10 C ATOM 938 CG PRO A 66 12.943 -7.134 3.398 1.00 31.55 C ATOM 939 CD PRO A 66 11.997 -7.490 2.304 1.00 63.00 C ATOM 0 HA PRO A 66 9.987 -7.622 4.707 1.00 20.32 H new ATOM 0 HB2 PRO A 66 12.533 -6.530 5.412 1.00 30.10 H new ATOM 0 HB3 PRO A 66 12.249 -8.231 5.103 1.00 30.10 H new ATOM 0 HG2 PRO A 66 13.336 -6.127 3.261 1.00 31.55 H new ATOM 0 HG3 PRO A 66 13.797 -7.811 3.410 1.00 31.55 H new ATOM 0 HD2 PRO A 66 12.280 -7.030 1.357 1.00 63.00 H new ATOM 0 HD3 PRO A 66 11.957 -8.566 2.136 1.00 63.00 H new ATOM 947 N THR A 67 10.830 -4.514 4.231 1.00 42.24 N ATOM 948 CA THR A 67 10.450 -3.178 4.551 1.00 13.14 C ATOM 949 C THR A 67 10.305 -2.381 3.262 1.00 32.44 C ATOM 950 O THR A 67 11.291 -1.954 2.676 1.00 2.20 O ATOM 951 CB THR A 67 11.477 -2.513 5.498 1.00 13.22 C ATOM 952 OG1 THR A 67 11.597 -3.312 6.690 1.00 70.03 O ATOM 953 CG2 THR A 67 11.041 -1.096 5.881 1.00 33.44 C ATOM 0 H THR A 67 11.557 -4.583 3.519 1.00 42.24 H new ATOM 0 HA THR A 67 9.495 -3.196 5.076 1.00 13.14 H new ATOM 0 HB THR A 67 12.435 -2.447 4.982 1.00 13.22 H new ATOM 0 HG1 THR A 67 12.247 -2.899 7.296 1.00 70.03 H new ATOM 0 HG21 THR A 67 11.783 -0.655 6.547 1.00 33.44 H new ATOM 0 HG22 THR A 67 10.953 -0.487 4.981 1.00 33.44 H new ATOM 0 HG23 THR A 67 10.077 -1.136 6.388 1.00 33.44 H new ATOM 961 N THR A 68 9.084 -2.226 2.812 1.00 43.12 N ATOM 962 CA THR A 68 8.805 -1.497 1.611 1.00 40.01 C ATOM 963 C THR A 68 8.893 -0.023 1.951 1.00 64.04 C ATOM 964 O THR A 68 8.135 0.477 2.799 1.00 0.11 O ATOM 965 CB THR A 68 7.404 -1.849 1.094 1.00 35.12 C ATOM 966 OG1 THR A 68 7.261 -3.280 1.077 1.00 0.11 O ATOM 967 CG2 THR A 68 7.194 -1.315 -0.313 1.00 13.13 C ATOM 0 H THR A 68 8.257 -2.605 3.274 1.00 43.12 H new ATOM 0 HA THR A 68 9.518 -1.750 0.827 1.00 40.01 H new ATOM 0 HB THR A 68 6.664 -1.395 1.753 1.00 35.12 H new ATOM 0 HG1 THR A 68 6.368 -3.516 0.750 1.00 0.11 H new ATOM 0 HG21 THR A 68 6.193 -1.578 -0.656 1.00 13.13 H new ATOM 0 HG22 THR A 68 7.304 -0.231 -0.311 1.00 13.13 H new ATOM 0 HG23 THR A 68 7.934 -1.753 -0.983 1.00 13.13 H new ATOM 975 N THR A 69 9.833 0.652 1.344 1.00 13.34 N ATOM 976 CA THR A 69 10.133 1.993 1.699 1.00 52.35 C ATOM 977 C THR A 69 9.337 2.972 0.820 1.00 5.15 C ATOM 978 O THR A 69 9.749 3.309 -0.300 1.00 52.25 O ATOM 979 CB THR A 69 11.643 2.202 1.536 1.00 1.41 C ATOM 980 OG1 THR A 69 12.305 0.991 1.973 1.00 63.32 O ATOM 981 CG2 THR A 69 12.131 3.347 2.405 1.00 33.33 C ATOM 0 H THR A 69 10.407 0.277 0.589 1.00 13.34 H new ATOM 0 HA THR A 69 9.848 2.185 2.733 1.00 52.35 H new ATOM 0 HB THR A 69 11.862 2.434 0.494 1.00 1.41 H new ATOM 0 HG1 THR A 69 13.275 1.096 1.878 1.00 63.32 H new ATOM 0 HG21 THR A 69 13.205 3.474 2.270 1.00 33.33 H new ATOM 0 HG22 THR A 69 11.618 4.265 2.118 1.00 33.33 H new ATOM 0 HG23 THR A 69 11.920 3.125 3.451 1.00 33.33 H new ATOM 989 N ALA A 70 8.177 3.366 1.308 1.00 63.30 N ATOM 990 CA ALA A 70 7.304 4.258 0.582 1.00 73.04 C ATOM 991 C ALA A 70 7.472 5.681 1.053 1.00 73.23 C ATOM 992 O ALA A 70 7.503 5.964 2.266 1.00 51.23 O ATOM 993 CB ALA A 70 5.853 3.828 0.712 1.00 42.12 C ATOM 0 H ALA A 70 7.817 3.076 2.217 1.00 63.30 H new ATOM 0 HA ALA A 70 7.584 4.208 -0.470 1.00 73.04 H new ATOM 0 HB1 ALA A 70 5.218 4.517 0.156 1.00 42.12 H new ATOM 0 HB2 ALA A 70 5.734 2.821 0.311 1.00 42.12 H new ATOM 0 HB3 ALA A 70 5.564 3.836 1.763 1.00 42.12 H new ATOM 999 N GLY A 71 7.617 6.560 0.117 1.00 71.04 N ATOM 1000 CA GLY A 71 7.760 7.942 0.407 1.00 30.33 C ATOM 1001 C GLY A 71 8.466 8.560 -0.727 1.00 60.40 C ATOM 1002 O GLY A 71 8.162 8.240 -1.880 1.00 64.25 O ATOM 0 H GLY A 71 7.639 6.334 -0.877 1.00 71.04 H new ATOM 0 HA2 GLY A 71 6.785 8.407 0.551 1.00 30.33 H new ATOM 0 HA3 GLY A 71 8.320 8.084 1.331 1.00 30.33 H new ATOM 1006 N ARG A 72 9.390 9.421 -0.451 1.00 13.23 N ATOM 1007 CA ARG A 72 10.238 9.889 -1.486 1.00 13.52 C ATOM 1008 C ARG A 72 11.567 9.190 -1.336 1.00 64.45 C ATOM 1009 O ARG A 72 11.744 8.133 -1.915 1.00 40.10 O ATOM 1010 CB ARG A 72 10.348 11.418 -1.533 1.00 10.24 C ATOM 1011 CG ARG A 72 11.248 11.951 -2.654 1.00 64.33 C ATOM 1012 CD ARG A 72 10.857 11.386 -4.019 1.00 23.44 C ATOM 1013 NE ARG A 72 11.643 11.983 -5.097 1.00 62.15 N ATOM 1014 CZ ARG A 72 12.392 11.319 -5.997 1.00 61.04 C ATOM 1015 NH1 ARG A 72 12.589 9.991 -5.907 1.00 64.54 N ATOM 1016 NH2 ARG A 72 12.962 11.991 -6.976 1.00 74.42 N ATOM 0 H ARG A 72 9.572 9.809 0.475 1.00 13.23 H new ATOM 0 HA ARG A 72 9.808 9.642 -2.456 1.00 13.52 H new ATOM 0 HB2 ARG A 72 9.350 11.839 -1.653 1.00 10.24 H new ATOM 0 HB3 ARG A 72 10.731 11.773 -0.576 1.00 10.24 H new ATOM 0 HG2 ARG A 72 11.188 13.039 -2.681 1.00 64.33 H new ATOM 0 HG3 ARG A 72 12.285 11.695 -2.439 1.00 64.33 H new ATOM 0 HD2 ARG A 72 11.000 10.305 -4.020 1.00 23.44 H new ATOM 0 HD3 ARG A 72 9.797 11.568 -4.198 1.00 23.44 H new ATOM 0 HE ARG A 72 11.622 13.000 -5.175 1.00 62.15 H new ATOM 0 HH11 ARG A 72 12.166 9.463 -5.143 1.00 64.54 H new ATOM 0 HH12 ARG A 72 13.161 9.512 -6.602 1.00 64.54 H new ATOM 0 HH21 ARG A 72 12.833 13.000 -7.044 1.00 74.42 H new ATOM 0 HH22 ARG A 72 13.533 11.502 -7.666 1.00 74.42 H new ATOM 1030 N HIS A 73 12.438 9.707 -0.462 1.00 21.14 N ATOM 1031 CA HIS A 73 13.764 9.126 -0.177 1.00 14.45 C ATOM 1032 C HIS A 73 14.682 9.236 -1.399 1.00 54.10 C ATOM 1033 O HIS A 73 14.228 9.499 -2.522 1.00 41.22 O ATOM 1034 CB HIS A 73 13.679 7.618 0.202 1.00 33.10 C ATOM 1035 CG HIS A 73 12.666 7.245 1.229 1.00 5.12 C ATOM 1036 ND1 HIS A 73 11.394 6.818 0.917 1.00 52.03 N ATOM 1037 CD2 HIS A 73 12.759 7.192 2.563 1.00 33.34 C ATOM 1038 CE1 HIS A 73 10.769 6.526 2.043 1.00 0.21 C ATOM 1039 NE2 HIS A 73 11.552 6.733 3.077 1.00 44.44 N ATOM 0 H HIS A 73 12.244 10.551 0.076 1.00 21.14 H new ATOM 0 HA HIS A 73 14.163 9.692 0.665 1.00 14.45 H new ATOM 0 HB2 HIS A 73 13.470 7.050 -0.705 1.00 33.10 H new ATOM 0 HB3 HIS A 73 14.659 7.300 0.559 1.00 33.10 H new ATOM 0 HD1 HIS A 73 11.003 6.741 -0.022 1.00 52.03 H new ATOM 0 HD2 HIS A 73 13.628 7.461 3.144 1.00 33.34 H new ATOM 0 HE1 HIS A 73 9.753 6.166 2.105 1.00 0.21 H new ATOM 1047 N PRO A 74 16.001 9.115 -1.200 1.00 22.12 N ATOM 1048 CA PRO A 74 16.940 8.941 -2.313 1.00 70.44 C ATOM 1049 C PRO A 74 16.719 7.571 -2.983 1.00 43.01 C ATOM 1050 O PRO A 74 17.066 7.354 -4.137 1.00 71.53 O ATOM 1051 CB PRO A 74 18.316 8.976 -1.638 1.00 13.31 C ATOM 1052 CG PRO A 74 18.053 8.660 -0.205 1.00 45.14 C ATOM 1053 CD PRO A 74 16.706 9.227 0.098 1.00 51.34 C ATOM 0 HA PRO A 74 16.825 9.699 -3.088 1.00 70.44 H new ATOM 0 HB2 PRO A 74 18.993 8.248 -2.085 1.00 13.31 H new ATOM 0 HB3 PRO A 74 18.784 9.955 -1.747 1.00 13.31 H new ATOM 0 HG2 PRO A 74 18.072 7.584 -0.032 1.00 45.14 H new ATOM 0 HG3 PRO A 74 18.815 9.099 0.438 1.00 45.14 H new ATOM 0 HD2 PRO A 74 16.199 8.666 0.883 1.00 51.34 H new ATOM 0 HD3 PRO A 74 16.770 10.262 0.435 1.00 51.34 H new ATOM 1061 N GLU A 75 16.122 6.665 -2.230 1.00 24.34 N ATOM 1062 CA GLU A 75 15.880 5.320 -2.658 1.00 42.31 C ATOM 1063 C GLU A 75 14.383 5.060 -2.610 1.00 22.41 C ATOM 1064 O GLU A 75 13.861 4.516 -1.630 1.00 44.02 O ATOM 1065 CB GLU A 75 16.618 4.320 -1.749 1.00 32.31 C ATOM 1066 CG GLU A 75 18.105 4.597 -1.596 1.00 0.01 C ATOM 1067 CD GLU A 75 18.810 3.591 -0.724 1.00 11.32 C ATOM 1068 OE1 GLU A 75 18.571 3.569 0.502 1.00 74.14 O ATOM 1069 OE2 GLU A 75 19.633 2.808 -1.254 1.00 25.23 O ATOM 0 H GLU A 75 15.789 6.859 -1.286 1.00 24.34 H new ATOM 0 HA GLU A 75 16.251 5.189 -3.674 1.00 42.31 H new ATOM 0 HB2 GLU A 75 16.154 4.332 -0.763 1.00 32.31 H new ATOM 0 HB3 GLU A 75 16.486 3.315 -2.151 1.00 32.31 H new ATOM 0 HG2 GLU A 75 18.570 4.603 -2.582 1.00 0.01 H new ATOM 0 HG3 GLU A 75 18.241 5.593 -1.174 1.00 0.01 H new ATOM 1076 N SER A 76 13.693 5.545 -3.596 1.00 61.22 N ATOM 1077 CA SER A 76 12.266 5.350 -3.684 1.00 14.32 C ATOM 1078 C SER A 76 11.976 3.955 -4.233 1.00 63.42 C ATOM 1079 O SER A 76 12.268 3.684 -5.402 1.00 62.04 O ATOM 1080 CB SER A 76 11.649 6.382 -4.645 1.00 22.24 C ATOM 1081 OG SER A 76 12.158 7.693 -4.408 1.00 3.23 O ATOM 0 H SER A 76 14.094 6.086 -4.362 1.00 61.22 H new ATOM 0 HA SER A 76 11.837 5.466 -2.689 1.00 14.32 H new ATOM 0 HB2 SER A 76 11.858 6.091 -5.674 1.00 22.24 H new ATOM 0 HB3 SER A 76 10.565 6.386 -4.528 1.00 22.24 H new ATOM 0 HG SER A 76 12.253 7.838 -3.443 1.00 3.23 H new ATOM 1087 N ASP A 77 11.456 3.053 -3.401 1.00 44.14 N ATOM 1088 CA ASP A 77 11.029 1.760 -3.925 1.00 14.51 C ATOM 1089 C ASP A 77 9.800 2.012 -4.774 1.00 2.31 C ATOM 1090 O ASP A 77 9.657 1.508 -5.883 1.00 44.23 O ATOM 1091 CB ASP A 77 10.717 0.787 -2.800 1.00 35.40 C ATOM 1092 CG ASP A 77 10.353 -0.580 -3.319 1.00 14.04 C ATOM 1093 OD1 ASP A 77 11.251 -1.288 -3.839 1.00 1.34 O ATOM 1094 OD2 ASP A 77 9.201 -0.993 -3.190 1.00 14.31 O ATOM 0 H ASP A 77 11.324 3.186 -2.398 1.00 44.14 H new ATOM 0 HA ASP A 77 11.824 1.307 -4.517 1.00 14.51 H new ATOM 0 HB2 ASP A 77 11.581 0.706 -2.141 1.00 35.40 H new ATOM 0 HB3 ASP A 77 9.895 1.178 -2.201 1.00 35.40 H new ATOM 1099 N ILE A 78 8.953 2.844 -4.230 1.00 23.41 N ATOM 1100 CA ILE A 78 7.805 3.412 -4.886 1.00 1.41 C ATOM 1101 C ILE A 78 7.753 4.845 -4.400 1.00 44.55 C ATOM 1102 O ILE A 78 8.173 5.121 -3.254 1.00 22.32 O ATOM 1103 CB ILE A 78 6.425 2.678 -4.606 1.00 63.42 C ATOM 1104 CG1 ILE A 78 5.994 2.681 -3.110 1.00 5.15 C ATOM 1105 CG2 ILE A 78 6.416 1.263 -5.176 1.00 74.34 C ATOM 1106 CD1 ILE A 78 6.887 1.901 -2.168 1.00 65.13 C ATOM 0 H ILE A 78 9.050 3.161 -3.265 1.00 23.41 H new ATOM 0 HA ILE A 78 7.925 3.311 -5.965 1.00 1.41 H new ATOM 0 HB ILE A 78 5.676 3.270 -5.131 1.00 63.42 H new ATOM 0 HG12 ILE A 78 5.949 3.714 -2.766 1.00 5.15 H new ATOM 0 HG13 ILE A 78 4.984 2.278 -3.041 1.00 5.15 H new ATOM 0 HG21 ILE A 78 5.456 0.792 -4.965 1.00 74.34 H new ATOM 0 HG22 ILE A 78 6.571 1.304 -6.254 1.00 74.34 H new ATOM 0 HG23 ILE A 78 7.215 0.681 -4.717 1.00 74.34 H new ATOM 0 HD11 ILE A 78 6.494 1.970 -1.154 1.00 65.13 H new ATOM 0 HD12 ILE A 78 6.915 0.856 -2.475 1.00 65.13 H new ATOM 0 HD13 ILE A 78 7.895 2.315 -2.196 1.00 65.13 H new ATOM 1118 N PHE A 79 7.307 5.749 -5.211 1.00 25.33 N ATOM 1119 CA PHE A 79 7.363 7.137 -4.848 1.00 43.35 C ATOM 1120 C PHE A 79 5.991 7.756 -4.733 1.00 62.31 C ATOM 1121 O PHE A 79 5.153 7.640 -5.613 1.00 52.15 O ATOM 1122 CB PHE A 79 8.276 7.954 -5.805 1.00 32.04 C ATOM 1123 CG PHE A 79 7.841 7.985 -7.256 1.00 33.14 C ATOM 1124 CD1 PHE A 79 8.176 6.953 -8.121 1.00 13.54 C ATOM 1125 CD2 PHE A 79 7.104 9.054 -7.750 1.00 10.53 C ATOM 1126 CE1 PHE A 79 7.782 6.986 -9.445 1.00 43.33 C ATOM 1127 CE2 PHE A 79 6.708 9.089 -9.071 1.00 54.25 C ATOM 1128 CZ PHE A 79 7.047 8.055 -9.920 1.00 74.24 C ATOM 0 H PHE A 79 6.901 5.558 -6.127 1.00 25.33 H new ATOM 0 HA PHE A 79 7.814 7.176 -3.857 1.00 43.35 H new ATOM 0 HB2 PHE A 79 8.331 8.979 -5.439 1.00 32.04 H new ATOM 0 HB3 PHE A 79 9.284 7.543 -5.755 1.00 32.04 H new ATOM 0 HD1 PHE A 79 8.751 6.115 -7.755 1.00 13.54 H new ATOM 0 HD2 PHE A 79 6.838 9.868 -7.092 1.00 10.53 H new ATOM 0 HE1 PHE A 79 8.049 6.176 -10.108 1.00 43.33 H new ATOM 0 HE2 PHE A 79 6.133 9.925 -9.441 1.00 54.25 H new ATOM 0 HZ PHE A 79 6.738 8.082 -10.955 1.00 74.24 H new ATOM 1138 N LEU A 80 5.758 8.370 -3.624 1.00 74.22 N ATOM 1139 CA LEU A 80 4.565 9.110 -3.401 1.00 41.22 C ATOM 1140 C LEU A 80 4.741 10.503 -3.958 1.00 64.21 C ATOM 1141 O LEU A 80 5.423 11.341 -3.360 1.00 24.02 O ATOM 1142 CB LEU A 80 4.166 9.155 -1.904 1.00 15.31 C ATOM 1143 CG LEU A 80 3.544 7.880 -1.280 1.00 52.05 C ATOM 1144 CD1 LEU A 80 4.481 6.688 -1.325 1.00 3.32 C ATOM 1145 CD2 LEU A 80 3.102 8.152 0.148 1.00 52.43 C ATOM 0 H LEU A 80 6.403 8.372 -2.834 1.00 74.22 H new ATOM 0 HA LEU A 80 3.747 8.606 -3.916 1.00 41.22 H new ATOM 0 HB2 LEU A 80 5.056 9.409 -1.328 1.00 15.31 H new ATOM 0 HB3 LEU A 80 3.457 9.972 -1.771 1.00 15.31 H new ATOM 0 HG LEU A 80 2.675 7.622 -1.886 1.00 52.05 H new ATOM 0 HD11 LEU A 80 3.993 5.824 -0.874 1.00 3.32 H new ATOM 0 HD12 LEU A 80 4.734 6.463 -2.361 1.00 3.32 H new ATOM 0 HD13 LEU A 80 5.391 6.920 -0.772 1.00 3.32 H new ATOM 0 HD21 LEU A 80 2.667 7.247 0.573 1.00 52.43 H new ATOM 0 HD22 LEU A 80 3.963 8.455 0.744 1.00 52.43 H new ATOM 0 HD23 LEU A 80 2.358 8.949 0.153 1.00 52.43 H new ATOM 1157 N ASP A 81 4.162 10.742 -5.119 1.00 34.40 N ATOM 1158 CA ASP A 81 4.273 12.026 -5.782 1.00 31.24 C ATOM 1159 C ASP A 81 3.294 13.030 -5.192 1.00 24.23 C ATOM 1160 O ASP A 81 2.301 13.416 -5.789 1.00 43.14 O ATOM 1161 CB ASP A 81 4.136 11.902 -7.312 1.00 74.11 C ATOM 1162 CG ASP A 81 4.286 13.228 -8.037 1.00 64.33 C ATOM 1163 OD1 ASP A 81 5.362 13.865 -7.928 1.00 21.35 O ATOM 1164 OD2 ASP A 81 3.327 13.666 -8.712 1.00 31.31 O ATOM 0 H ASP A 81 3.604 10.055 -5.627 1.00 34.40 H new ATOM 0 HA ASP A 81 5.278 12.407 -5.599 1.00 31.24 H new ATOM 0 HB2 ASP A 81 4.889 11.206 -7.682 1.00 74.11 H new ATOM 0 HB3 ASP A 81 3.162 11.474 -7.549 1.00 74.11 H new ATOM 1169 N ASP A 82 3.529 13.326 -3.966 1.00 20.20 N ATOM 1170 CA ASP A 82 2.789 14.333 -3.237 1.00 3.42 C ATOM 1171 C ASP A 82 3.778 15.236 -2.530 1.00 44.51 C ATOM 1172 O ASP A 82 4.834 14.781 -2.097 1.00 13.24 O ATOM 1173 CB ASP A 82 1.794 13.703 -2.244 1.00 11.22 C ATOM 1174 CG ASP A 82 1.066 14.746 -1.422 1.00 52.31 C ATOM 1175 OD1 ASP A 82 0.043 15.280 -1.874 1.00 23.41 O ATOM 1176 OD2 ASP A 82 1.534 15.075 -0.326 1.00 3.00 O ATOM 0 H ASP A 82 4.256 12.873 -3.413 1.00 20.20 H new ATOM 0 HA ASP A 82 2.192 14.919 -3.936 1.00 3.42 H new ATOM 0 HB2 ASP A 82 1.067 13.103 -2.792 1.00 11.22 H new ATOM 0 HB3 ASP A 82 2.328 13.026 -1.577 1.00 11.22 H new ATOM 1181 N VAL A 83 3.452 16.492 -2.406 1.00 21.53 N ATOM 1182 CA VAL A 83 4.375 17.481 -1.855 1.00 0.42 C ATOM 1183 C VAL A 83 4.411 17.505 -0.317 1.00 22.45 C ATOM 1184 O VAL A 83 5.127 18.308 0.278 1.00 33.20 O ATOM 1185 CB VAL A 83 4.071 18.899 -2.397 1.00 4.12 C ATOM 1186 CG1 VAL A 83 4.312 18.953 -3.898 1.00 41.32 C ATOM 1187 CG2 VAL A 83 2.633 19.308 -2.073 1.00 24.12 C ATOM 0 H VAL A 83 2.546 16.872 -2.679 1.00 21.53 H new ATOM 0 HA VAL A 83 5.364 17.168 -2.190 1.00 0.42 H new ATOM 0 HB VAL A 83 4.744 19.604 -1.909 1.00 4.12 H new ATOM 0 HG11 VAL A 83 4.094 19.956 -4.266 1.00 41.32 H new ATOM 0 HG12 VAL A 83 5.353 18.707 -4.108 1.00 41.32 H new ATOM 0 HG13 VAL A 83 3.662 18.235 -4.397 1.00 41.32 H new ATOM 0 HG21 VAL A 83 2.442 20.308 -2.463 1.00 24.12 H new ATOM 0 HG22 VAL A 83 1.942 18.601 -2.532 1.00 24.12 H new ATOM 0 HG23 VAL A 83 2.489 19.307 -0.993 1.00 24.12 H new ATOM 1197 N THR A 84 3.667 16.636 0.318 1.00 41.00 N ATOM 1198 CA THR A 84 3.624 16.594 1.766 1.00 21.53 C ATOM 1199 C THR A 84 4.358 15.325 2.263 1.00 64.31 C ATOM 1200 O THR A 84 4.282 14.946 3.437 1.00 74.11 O ATOM 1201 CB THR A 84 2.152 16.561 2.228 1.00 72.41 C ATOM 1202 OG1 THR A 84 1.327 17.156 1.204 1.00 15.51 O ATOM 1203 CG2 THR A 84 1.975 17.351 3.509 1.00 31.34 C ATOM 0 H THR A 84 3.078 15.943 -0.143 1.00 41.00 H new ATOM 0 HA THR A 84 4.113 17.477 2.178 1.00 21.53 H new ATOM 0 HB THR A 84 1.864 15.525 2.405 1.00 72.41 H new ATOM 0 HG1 THR A 84 1.145 16.494 0.505 1.00 15.51 H new ATOM 0 HG21 THR A 84 0.930 17.315 3.817 1.00 31.34 H new ATOM 0 HG22 THR A 84 2.599 16.920 4.292 1.00 31.34 H new ATOM 0 HG23 THR A 84 2.268 18.387 3.341 1.00 31.34 H new ATOM 1211 N VAL A 85 5.078 14.697 1.352 1.00 52.11 N ATOM 1212 CA VAL A 85 5.783 13.459 1.626 1.00 5.32 C ATOM 1213 C VAL A 85 7.141 13.711 2.288 1.00 33.15 C ATOM 1214 O VAL A 85 7.933 14.555 1.832 1.00 34.41 O ATOM 1215 CB VAL A 85 5.933 12.616 0.335 1.00 21.54 C ATOM 1216 CG1 VAL A 85 6.741 11.361 0.576 1.00 1.02 C ATOM 1217 CG2 VAL A 85 4.562 12.247 -0.187 1.00 35.41 C ATOM 0 H VAL A 85 5.191 15.034 0.396 1.00 52.11 H new ATOM 0 HA VAL A 85 5.184 12.889 2.336 1.00 5.32 H new ATOM 0 HB VAL A 85 6.466 13.218 -0.401 1.00 21.54 H new ATOM 0 HG11 VAL A 85 6.823 10.797 -0.353 1.00 1.02 H new ATOM 0 HG12 VAL A 85 7.737 11.631 0.926 1.00 1.02 H new ATOM 0 HG13 VAL A 85 6.246 10.748 1.329 1.00 1.02 H new ATOM 0 HG21 VAL A 85 4.666 11.654 -1.095 1.00 35.41 H new ATOM 0 HG22 VAL A 85 4.030 11.666 0.567 1.00 35.41 H new ATOM 0 HG23 VAL A 85 4.001 13.155 -0.409 1.00 35.41 H new ATOM 1227 N SER A 86 7.388 12.978 3.349 1.00 13.14 N ATOM 1228 CA SER A 86 8.586 13.102 4.153 1.00 65.45 C ATOM 1229 C SER A 86 9.560 11.939 3.846 1.00 12.34 C ATOM 1230 O SER A 86 9.175 10.948 3.188 1.00 24.33 O ATOM 1231 CB SER A 86 8.146 13.008 5.617 1.00 60.14 C ATOM 1232 OG SER A 86 7.026 13.859 5.859 1.00 32.20 O ATOM 0 H SER A 86 6.746 12.261 3.687 1.00 13.14 H new ATOM 0 HA SER A 86 9.094 14.043 3.941 1.00 65.45 H new ATOM 0 HB2 SER A 86 7.886 11.978 5.859 1.00 60.14 H new ATOM 0 HB3 SER A 86 8.972 13.290 6.270 1.00 60.14 H new ATOM 0 HG SER A 86 6.756 13.786 6.798 1.00 32.20 H new ATOM 1238 N ARG A 87 10.821 12.066 4.274 1.00 2.22 N ATOM 1239 CA ARG A 87 11.715 10.935 4.233 1.00 2.15 C ATOM 1240 C ARG A 87 11.310 9.999 5.345 1.00 5.22 C ATOM 1241 O ARG A 87 11.068 10.451 6.469 1.00 63.43 O ATOM 1242 CB ARG A 87 13.248 11.297 4.219 1.00 41.42 C ATOM 1243 CG ARG A 87 13.799 12.316 5.251 1.00 14.42 C ATOM 1244 CD ARG A 87 13.683 11.861 6.699 1.00 31.44 C ATOM 1245 NE ARG A 87 14.387 12.765 7.628 1.00 11.55 N ATOM 1246 CZ ARG A 87 13.807 13.528 8.571 1.00 64.25 C ATOM 1247 NH1 ARG A 87 12.486 13.645 8.626 1.00 23.13 N ATOM 1248 NH2 ARG A 87 14.564 14.204 9.423 1.00 40.22 N ATOM 0 H ARG A 87 11.226 12.926 4.643 1.00 2.22 H new ATOM 0 HA ARG A 87 11.607 10.434 3.271 1.00 2.15 H new ATOM 0 HB2 ARG A 87 13.805 10.369 4.347 1.00 41.42 H new ATOM 0 HB3 ARG A 87 13.485 11.677 3.225 1.00 41.42 H new ATOM 0 HG2 ARG A 87 14.847 12.513 5.026 1.00 14.42 H new ATOM 0 HG3 ARG A 87 13.265 13.259 5.134 1.00 14.42 H new ATOM 0 HD2 ARG A 87 12.630 11.806 6.977 1.00 31.44 H new ATOM 0 HD3 ARG A 87 14.091 10.855 6.795 1.00 31.44 H new ATOM 0 HE ARG A 87 15.403 12.816 7.548 1.00 11.55 H new ATOM 0 HH11 ARG A 87 11.902 13.154 7.949 1.00 23.13 H new ATOM 0 HH12 ARG A 87 12.055 14.226 9.345 1.00 23.13 H new ATOM 0 HH21 ARG A 87 15.580 14.144 9.361 1.00 40.22 H new ATOM 0 HH22 ARG A 87 14.130 14.785 10.141 1.00 40.22 H new ATOM 1262 N ARG A 88 11.200 8.724 5.020 1.00 51.41 N ATOM 1263 CA ARG A 88 10.597 7.713 5.882 1.00 64.45 C ATOM 1264 C ARG A 88 9.157 8.129 6.086 1.00 71.20 C ATOM 1265 O ARG A 88 8.824 8.865 7.012 1.00 1.35 O ATOM 1266 CB ARG A 88 11.343 7.504 7.225 1.00 64.41 C ATOM 1267 CG ARG A 88 12.826 7.181 7.072 1.00 32.10 C ATOM 1268 CD ARG A 88 13.086 5.893 6.288 1.00 22.11 C ATOM 1269 NE ARG A 88 12.746 4.668 7.028 1.00 54.15 N ATOM 1270 CZ ARG A 88 13.554 3.595 7.128 1.00 53.23 C ATOM 1271 NH1 ARG A 88 14.803 3.649 6.664 1.00 64.44 N ATOM 1272 NH2 ARG A 88 13.119 2.487 7.706 1.00 71.20 N ATOM 0 H ARG A 88 11.533 8.350 4.131 1.00 51.41 H new ATOM 0 HA ARG A 88 10.664 6.737 5.401 1.00 64.45 H new ATOM 0 HB2 ARG A 88 11.239 8.405 7.830 1.00 64.41 H new ATOM 0 HB3 ARG A 88 10.861 6.695 7.774 1.00 64.41 H new ATOM 0 HG2 ARG A 88 13.322 8.011 6.569 1.00 32.10 H new ATOM 0 HG3 ARG A 88 13.276 7.093 8.061 1.00 32.10 H new ATOM 0 HD2 ARG A 88 12.510 5.919 5.363 1.00 22.11 H new ATOM 0 HD3 ARG A 88 14.138 5.856 6.007 1.00 22.11 H new ATOM 0 HE ARG A 88 11.840 4.629 7.495 1.00 54.15 H new ATOM 0 HH11 ARG A 88 15.150 4.505 6.231 1.00 64.44 H new ATOM 0 HH12 ARG A 88 15.412 2.834 6.742 1.00 64.44 H new ATOM 0 HH21 ARG A 88 12.170 2.444 8.077 1.00 71.20 H new ATOM 0 HH22 ARG A 88 13.733 1.676 7.780 1.00 71.20 H new ATOM 1286 N HIS A 89 8.331 7.770 5.139 1.00 0.51 N ATOM 1287 CA HIS A 89 6.971 8.204 5.168 1.00 60.14 C ATOM 1288 C HIS A 89 6.064 7.058 5.592 1.00 50.12 C ATOM 1289 O HIS A 89 5.587 7.012 6.726 1.00 32.02 O ATOM 1290 CB HIS A 89 6.584 8.765 3.789 1.00 62.11 C ATOM 1291 CG HIS A 89 5.274 9.478 3.745 1.00 14.44 C ATOM 1292 ND1 HIS A 89 5.219 10.847 3.692 1.00 35.12 N ATOM 1293 CD2 HIS A 89 4.018 8.981 3.725 1.00 31.42 C ATOM 1294 CE1 HIS A 89 3.942 11.143 3.640 1.00 24.44 C ATOM 1295 NE2 HIS A 89 3.178 10.051 3.659 1.00 73.12 N ATOM 0 H HIS A 89 8.580 7.181 4.344 1.00 0.51 H new ATOM 0 HA HIS A 89 6.850 9.001 5.902 1.00 60.14 H new ATOM 0 HB2 HIS A 89 7.365 9.450 3.460 1.00 62.11 H new ATOM 0 HB3 HIS A 89 6.558 7.943 3.073 1.00 62.11 H new ATOM 0 HD2 HIS A 89 3.735 7.939 3.755 1.00 31.42 H new ATOM 0 HE1 HIS A 89 3.556 12.150 3.588 1.00 24.44 H new ATOM 0 HE2 HIS A 89 2.159 10.022 3.630 1.00 73.12 H new ATOM 1303 N ALA A 90 5.865 6.128 4.711 1.00 53.11 N ATOM 1304 CA ALA A 90 5.022 5.015 4.997 1.00 35.24 C ATOM 1305 C ALA A 90 5.818 3.761 4.841 1.00 11.22 C ATOM 1306 O ALA A 90 6.218 3.394 3.737 1.00 20.01 O ATOM 1307 CB ALA A 90 3.803 5.005 4.081 1.00 74.34 C ATOM 0 H ALA A 90 6.280 6.120 3.779 1.00 53.11 H new ATOM 0 HA ALA A 90 4.655 5.089 6.021 1.00 35.24 H new ATOM 0 HB1 ALA A 90 3.176 4.146 4.319 1.00 74.34 H new ATOM 0 HB2 ALA A 90 3.232 5.922 4.225 1.00 74.34 H new ATOM 0 HB3 ALA A 90 4.129 4.940 3.043 1.00 74.34 H new ATOM 1313 N GLU A 91 6.111 3.132 5.917 1.00 61.21 N ATOM 1314 CA GLU A 91 6.842 1.922 5.837 1.00 54.22 C ATOM 1315 C GLU A 91 5.907 0.760 5.953 1.00 34.14 C ATOM 1316 O GLU A 91 5.130 0.649 6.913 1.00 44.33 O ATOM 1317 CB GLU A 91 7.918 1.873 6.909 1.00 3.24 C ATOM 1318 CG GLU A 91 9.014 2.895 6.693 1.00 55.14 C ATOM 1319 CD GLU A 91 10.032 2.905 7.792 1.00 15.43 C ATOM 1320 OE1 GLU A 91 10.503 1.826 8.211 1.00 31.20 O ATOM 1321 OE2 GLU A 91 10.403 3.992 8.255 1.00 72.35 O ATOM 0 H GLU A 91 5.859 3.431 6.859 1.00 61.21 H new ATOM 0 HA GLU A 91 7.341 1.869 4.870 1.00 54.22 H new ATOM 0 HB2 GLU A 91 7.460 2.040 7.884 1.00 3.24 H new ATOM 0 HB3 GLU A 91 8.357 0.876 6.930 1.00 3.24 H new ATOM 0 HG2 GLU A 91 9.513 2.690 5.746 1.00 55.14 H new ATOM 0 HG3 GLU A 91 8.568 3.886 6.610 1.00 55.14 H new ATOM 1328 N PHE A 92 5.985 -0.107 4.995 1.00 40.13 N ATOM 1329 CA PHE A 92 5.202 -1.297 5.013 1.00 31.41 C ATOM 1330 C PHE A 92 6.150 -2.407 5.320 1.00 22.13 C ATOM 1331 O PHE A 92 7.049 -2.701 4.539 1.00 64.12 O ATOM 1332 CB PHE A 92 4.512 -1.533 3.661 1.00 12.45 C ATOM 1333 CG PHE A 92 3.681 -0.368 3.168 1.00 40.32 C ATOM 1334 CD1 PHE A 92 2.493 -0.025 3.794 1.00 75.03 C ATOM 1335 CD2 PHE A 92 4.086 0.373 2.067 1.00 5.54 C ATOM 1336 CE1 PHE A 92 1.728 1.028 3.338 1.00 32.13 C ATOM 1337 CE2 PHE A 92 3.323 1.431 1.607 1.00 13.40 C ATOM 1338 CZ PHE A 92 2.145 1.758 2.243 1.00 42.10 C ATOM 0 H PHE A 92 6.592 -0.009 4.181 1.00 40.13 H new ATOM 0 HA PHE A 92 4.407 -1.230 5.755 1.00 31.41 H new ATOM 0 HB2 PHE A 92 5.273 -1.762 2.914 1.00 12.45 H new ATOM 0 HB3 PHE A 92 3.871 -2.411 3.743 1.00 12.45 H new ATOM 0 HD1 PHE A 92 2.161 -0.591 4.652 1.00 75.03 H new ATOM 0 HD2 PHE A 92 5.008 0.121 1.563 1.00 5.54 H new ATOM 0 HE1 PHE A 92 0.804 1.281 3.837 1.00 32.13 H new ATOM 0 HE2 PHE A 92 3.650 2.001 0.750 1.00 13.40 H new ATOM 0 HZ PHE A 92 1.549 2.584 1.885 1.00 42.10 H new ATOM 1348 N ARG A 93 5.998 -2.983 6.450 1.00 45.43 N ATOM 1349 CA ARG A 93 6.909 -3.976 6.903 1.00 14.41 C ATOM 1350 C ARG A 93 6.214 -5.285 6.949 1.00 74.35 C ATOM 1351 O ARG A 93 5.101 -5.386 7.447 1.00 15.04 O ATOM 1352 CB ARG A 93 7.434 -3.601 8.277 1.00 2.55 C ATOM 1353 CG ARG A 93 8.178 -2.287 8.294 1.00 44.14 C ATOM 1354 CD ARG A 93 8.563 -1.902 9.691 1.00 74.23 C ATOM 1355 NE ARG A 93 9.269 -0.625 9.735 1.00 2.30 N ATOM 1356 CZ ARG A 93 9.551 0.029 10.848 1.00 43.13 C ATOM 1357 NH1 ARG A 93 9.151 -0.455 12.024 1.00 22.33 N ATOM 1358 NH2 ARG A 93 10.198 1.174 10.781 1.00 65.54 N ATOM 0 H ARG A 93 5.235 -2.782 7.096 1.00 45.43 H new ATOM 0 HA ARG A 93 7.755 -4.045 6.219 1.00 14.41 H new ATOM 0 HB2 ARG A 93 6.599 -3.547 8.975 1.00 2.55 H new ATOM 0 HB3 ARG A 93 8.096 -4.390 8.633 1.00 2.55 H new ATOM 0 HG2 ARG A 93 9.072 -2.364 7.675 1.00 44.14 H new ATOM 0 HG3 ARG A 93 7.554 -1.507 7.857 1.00 44.14 H new ATOM 0 HD2 ARG A 93 7.668 -1.842 10.310 1.00 74.23 H new ATOM 0 HD3 ARG A 93 9.195 -2.680 10.120 1.00 74.23 H new ATOM 0 HE ARG A 93 9.563 -0.211 8.850 1.00 2.30 H new ATOM 0 HH11 ARG A 93 8.628 -1.330 12.064 1.00 22.33 H new ATOM 0 HH12 ARG A 93 9.368 0.049 12.884 1.00 22.33 H new ATOM 0 HH21 ARG A 93 10.477 1.550 9.875 1.00 65.54 H new ATOM 0 HH22 ARG A 93 10.420 1.685 11.635 1.00 65.54 H new ATOM 1372 N ILE A 94 6.830 -6.281 6.432 1.00 32.03 N ATOM 1373 CA ILE A 94 6.221 -7.554 6.447 1.00 14.05 C ATOM 1374 C ILE A 94 7.062 -8.484 7.272 1.00 12.14 C ATOM 1375 O ILE A 94 8.296 -8.389 7.288 1.00 64.42 O ATOM 1376 CB ILE A 94 5.987 -8.171 5.038 1.00 11.02 C ATOM 1377 CG1 ILE A 94 7.301 -8.582 4.383 1.00 14.23 C ATOM 1378 CG2 ILE A 94 5.244 -7.181 4.131 1.00 20.31 C ATOM 1379 CD1 ILE A 94 7.102 -9.515 3.231 1.00 2.14 C ATOM 0 H ILE A 94 7.751 -6.240 5.995 1.00 32.03 H new ATOM 0 HA ILE A 94 5.229 -7.419 6.879 1.00 14.05 H new ATOM 0 HB ILE A 94 5.376 -9.064 5.171 1.00 11.02 H new ATOM 0 HG12 ILE A 94 7.825 -7.691 4.038 1.00 14.23 H new ATOM 0 HG13 ILE A 94 7.940 -9.059 5.126 1.00 14.23 H new ATOM 0 HG21 ILE A 94 5.090 -7.631 3.150 1.00 20.31 H new ATOM 0 HG22 ILE A 94 4.278 -6.936 4.574 1.00 20.31 H new ATOM 0 HG23 ILE A 94 5.835 -6.271 4.024 1.00 20.31 H new ATOM 0 HD11 ILE A 94 8.070 -9.775 2.802 1.00 2.14 H new ATOM 0 HD12 ILE A 94 6.604 -10.420 3.578 1.00 2.14 H new ATOM 0 HD13 ILE A 94 6.487 -9.030 2.472 1.00 2.14 H new ATOM 1391 N ASN A 95 6.414 -9.253 8.041 1.00 3.11 N ATOM 1392 CA ASN A 95 7.043 -10.269 8.807 1.00 23.15 C ATOM 1393 C ASN A 95 6.407 -11.566 8.387 1.00 1.40 C ATOM 1394 O ASN A 95 5.225 -11.568 8.029 1.00 31.32 O ATOM 1395 CB ASN A 95 6.885 -10.040 10.318 1.00 34.43 C ATOM 1396 CG ASN A 95 7.720 -11.010 11.139 1.00 51.54 C ATOM 1397 OD1 ASN A 95 7.288 -12.125 11.433 1.00 74.23 O ATOM 1398 ND2 ASN A 95 8.896 -10.593 11.533 1.00 64.10 N ATOM 0 H ASN A 95 5.403 -9.203 8.168 1.00 3.11 H new ATOM 0 HA ASN A 95 8.118 -10.272 8.624 1.00 23.15 H new ATOM 0 HB2 ASN A 95 7.176 -9.018 10.561 1.00 34.43 H new ATOM 0 HB3 ASN A 95 5.835 -10.146 10.592 1.00 34.43 H new ATOM 0 HD21 ASN A 95 9.487 -11.198 12.103 1.00 64.10 H new ATOM 0 HD22 ASN A 95 9.222 -9.663 11.270 1.00 64.10 H new ATOM 1405 N GLU A 96 7.152 -12.641 8.377 1.00 73.04 N ATOM 1406 CA GLU A 96 6.603 -13.957 8.023 1.00 63.42 C ATOM 1407 C GLU A 96 5.457 -14.394 8.978 1.00 32.31 C ATOM 1408 O GLU A 96 4.680 -15.312 8.672 1.00 72.20 O ATOM 1409 CB GLU A 96 7.719 -15.007 7.985 1.00 45.13 C ATOM 1410 CG GLU A 96 8.508 -15.136 9.276 1.00 62.02 C ATOM 1411 CD GLU A 96 9.618 -16.142 9.163 1.00 3.42 C ATOM 1412 OE1 GLU A 96 10.740 -15.766 8.735 1.00 2.01 O ATOM 1413 OE2 GLU A 96 9.406 -17.318 9.493 1.00 51.00 O ATOM 0 H GLU A 96 8.145 -12.647 8.608 1.00 73.04 H new ATOM 0 HA GLU A 96 6.166 -13.873 7.028 1.00 63.42 H new ATOM 0 HB2 GLU A 96 7.281 -15.975 7.744 1.00 45.13 H new ATOM 0 HB3 GLU A 96 8.407 -14.758 7.177 1.00 45.13 H new ATOM 0 HG2 GLU A 96 8.925 -14.165 9.544 1.00 62.02 H new ATOM 0 HG3 GLU A 96 7.836 -15.428 10.083 1.00 62.02 H new ATOM 1420 N GLY A 97 5.369 -13.750 10.131 1.00 61.30 N ATOM 1421 CA GLY A 97 4.326 -14.045 11.077 1.00 34.13 C ATOM 1422 C GLY A 97 3.086 -13.180 10.888 1.00 45.52 C ATOM 1423 O GLY A 97 1.962 -13.666 11.066 1.00 52.15 O ATOM 0 H GLY A 97 6.014 -13.018 10.427 1.00 61.30 H new ATOM 0 HA2 GLY A 97 4.047 -15.095 10.986 1.00 34.13 H new ATOM 0 HA3 GLY A 97 4.710 -13.904 12.087 1.00 34.13 H new ATOM 1427 N GLU A 98 3.281 -11.912 10.529 1.00 2.24 N ATOM 1428 CA GLU A 98 2.184 -10.955 10.351 1.00 22.33 C ATOM 1429 C GLU A 98 2.723 -9.674 9.679 1.00 14.34 C ATOM 1430 O GLU A 98 3.927 -9.445 9.664 1.00 24.42 O ATOM 1431 CB GLU A 98 1.518 -10.641 11.722 1.00 70.00 C ATOM 1432 CG GLU A 98 0.325 -9.685 11.668 1.00 22.13 C ATOM 1433 CD GLU A 98 -0.822 -10.171 10.806 1.00 44.13 C ATOM 1434 OE1 GLU A 98 -0.685 -10.196 9.567 1.00 62.31 O ATOM 1435 OE2 GLU A 98 -1.885 -10.548 11.351 1.00 75.00 O ATOM 0 H GLU A 98 4.204 -11.516 10.353 1.00 2.24 H new ATOM 0 HA GLU A 98 1.421 -11.387 9.704 1.00 22.33 H new ATOM 0 HB2 GLU A 98 1.191 -11.579 12.171 1.00 70.00 H new ATOM 0 HB3 GLU A 98 2.272 -10.217 12.385 1.00 70.00 H new ATOM 0 HG2 GLU A 98 -0.041 -9.521 12.682 1.00 22.13 H new ATOM 0 HG3 GLU A 98 0.664 -8.720 11.292 1.00 22.13 H new ATOM 1442 N PHE A 99 1.844 -8.880 9.117 1.00 51.53 N ATOM 1443 CA PHE A 99 2.216 -7.662 8.408 1.00 4.05 C ATOM 1444 C PHE A 99 2.077 -6.414 9.331 1.00 33.44 C ATOM 1445 O PHE A 99 1.119 -6.306 10.099 1.00 44.03 O ATOM 1446 CB PHE A 99 1.348 -7.521 7.150 1.00 43.13 C ATOM 1447 CG PHE A 99 1.367 -8.730 6.245 1.00 4.40 C ATOM 1448 CD1 PHE A 99 2.479 -9.030 5.488 1.00 33.50 C ATOM 1449 CD2 PHE A 99 0.259 -9.562 6.155 1.00 0.41 C ATOM 1450 CE1 PHE A 99 2.499 -10.136 4.657 1.00 25.23 C ATOM 1451 CE2 PHE A 99 0.269 -10.668 5.328 1.00 32.34 C ATOM 1452 CZ PHE A 99 1.391 -10.956 4.577 1.00 21.14 C ATOM 0 H PHE A 99 0.839 -9.055 9.135 1.00 51.53 H new ATOM 0 HA PHE A 99 3.262 -7.728 8.110 1.00 4.05 H new ATOM 0 HB2 PHE A 99 0.320 -7.324 7.452 1.00 43.13 H new ATOM 0 HB3 PHE A 99 1.686 -6.653 6.585 1.00 43.13 H new ATOM 0 HD1 PHE A 99 3.348 -8.392 5.544 1.00 33.50 H new ATOM 0 HD2 PHE A 99 -0.622 -9.341 6.739 1.00 0.41 H new ATOM 0 HE1 PHE A 99 3.379 -10.358 4.072 1.00 25.23 H new ATOM 0 HE2 PHE A 99 -0.600 -11.307 5.269 1.00 32.34 H new ATOM 0 HZ PHE A 99 1.402 -11.820 3.929 1.00 21.14 H new ATOM 1462 N GLU A 100 3.031 -5.488 9.254 1.00 42.14 N ATOM 1463 CA GLU A 100 3.069 -4.294 10.121 1.00 74.31 C ATOM 1464 C GLU A 100 3.144 -2.993 9.279 1.00 53.43 C ATOM 1465 O GLU A 100 3.905 -2.911 8.313 1.00 3.45 O ATOM 1466 CB GLU A 100 4.298 -4.385 11.053 1.00 12.11 C ATOM 1467 CG GLU A 100 4.471 -3.208 12.012 1.00 1.21 C ATOM 1468 CD GLU A 100 5.697 -3.349 12.893 1.00 15.42 C ATOM 1469 OE1 GLU A 100 5.655 -4.136 13.862 1.00 63.51 O ATOM 1470 OE2 GLU A 100 6.728 -2.658 12.651 1.00 3.22 O ATOM 0 H GLU A 100 3.804 -5.537 8.590 1.00 42.14 H new ATOM 0 HA GLU A 100 2.153 -4.261 10.711 1.00 74.31 H new ATOM 0 HB2 GLU A 100 4.225 -5.302 11.637 1.00 12.11 H new ATOM 0 HB3 GLU A 100 5.195 -4.469 10.439 1.00 12.11 H new ATOM 0 HG2 GLU A 100 4.545 -2.284 11.438 1.00 1.21 H new ATOM 0 HG3 GLU A 100 3.584 -3.123 12.640 1.00 1.21 H new ATOM 1477 N VAL A 101 2.354 -1.991 9.637 1.00 11.34 N ATOM 1478 CA VAL A 101 2.389 -0.710 8.938 1.00 73.41 C ATOM 1479 C VAL A 101 2.881 0.397 9.873 1.00 14.34 C ATOM 1480 O VAL A 101 2.366 0.563 10.984 1.00 41.30 O ATOM 1481 CB VAL A 101 1.009 -0.327 8.281 1.00 24.30 C ATOM 1482 CG1 VAL A 101 -0.117 -0.227 9.297 1.00 72.24 C ATOM 1483 CG2 VAL A 101 1.124 0.958 7.462 1.00 21.33 C ATOM 0 H VAL A 101 1.683 -2.037 10.404 1.00 11.34 H new ATOM 0 HA VAL A 101 3.096 -0.819 8.115 1.00 73.41 H new ATOM 0 HB VAL A 101 0.751 -1.143 7.606 1.00 24.30 H new ATOM 0 HG11 VAL A 101 -1.043 0.039 8.788 1.00 72.24 H new ATOM 0 HG12 VAL A 101 -0.241 -1.187 9.798 1.00 72.24 H new ATOM 0 HG13 VAL A 101 0.125 0.538 10.034 1.00 72.24 H new ATOM 0 HG21 VAL A 101 0.156 1.196 7.021 1.00 21.33 H new ATOM 0 HG22 VAL A 101 1.439 1.776 8.110 1.00 21.33 H new ATOM 0 HG23 VAL A 101 1.859 0.820 6.669 1.00 21.33 H new ATOM 1493 N VAL A 102 3.909 1.101 9.453 1.00 41.31 N ATOM 1494 CA VAL A 102 4.487 2.175 10.242 1.00 62.35 C ATOM 1495 C VAL A 102 4.403 3.511 9.503 1.00 32.25 C ATOM 1496 O VAL A 102 4.854 3.636 8.356 1.00 72.23 O ATOM 1497 CB VAL A 102 5.964 1.859 10.635 1.00 61.41 C ATOM 1498 CG1 VAL A 102 6.613 3.025 11.382 1.00 55.44 C ATOM 1499 CG2 VAL A 102 6.018 0.605 11.488 1.00 32.03 C ATOM 0 H VAL A 102 4.370 0.948 8.556 1.00 41.31 H new ATOM 0 HA VAL A 102 3.903 2.256 11.159 1.00 62.35 H new ATOM 0 HB VAL A 102 6.525 1.699 9.714 1.00 61.41 H new ATOM 0 HG11 VAL A 102 7.640 2.766 11.638 1.00 55.44 H new ATOM 0 HG12 VAL A 102 6.610 3.911 10.747 1.00 55.44 H new ATOM 0 HG13 VAL A 102 6.052 3.230 12.294 1.00 55.44 H new ATOM 0 HG21 VAL A 102 7.053 0.392 11.757 1.00 32.03 H new ATOM 0 HG22 VAL A 102 5.431 0.756 12.394 1.00 32.03 H new ATOM 0 HG23 VAL A 102 5.609 -0.235 10.926 1.00 32.03 H new ATOM 1509 N ASP A 103 3.822 4.488 10.152 1.00 33.11 N ATOM 1510 CA ASP A 103 3.723 5.829 9.618 1.00 12.41 C ATOM 1511 C ASP A 103 4.688 6.737 10.298 1.00 12.33 C ATOM 1512 O ASP A 103 4.684 6.874 11.525 1.00 31.22 O ATOM 1513 CB ASP A 103 2.321 6.430 9.747 1.00 34.32 C ATOM 1514 CG ASP A 103 2.304 7.945 9.422 1.00 13.44 C ATOM 1515 OD1 ASP A 103 2.613 8.335 8.277 1.00 52.50 O ATOM 1516 OD2 ASP A 103 1.982 8.764 10.331 1.00 22.44 O ATOM 0 H ASP A 103 3.400 4.377 11.074 1.00 33.11 H new ATOM 0 HA ASP A 103 3.956 5.741 8.557 1.00 12.41 H new ATOM 0 HB2 ASP A 103 1.640 5.908 9.075 1.00 34.32 H new ATOM 0 HB3 ASP A 103 1.952 6.273 10.760 1.00 34.32 H new ATOM 1521 N VAL A 104 5.523 7.318 9.521 1.00 63.05 N ATOM 1522 CA VAL A 104 6.431 8.332 9.972 1.00 33.02 C ATOM 1523 C VAL A 104 6.373 9.532 9.027 1.00 4.55 C ATOM 1524 O VAL A 104 7.148 10.492 9.135 1.00 23.22 O ATOM 1525 CB VAL A 104 7.884 7.798 10.188 1.00 11.23 C ATOM 1526 CG1 VAL A 104 8.004 7.169 11.565 1.00 53.54 C ATOM 1527 CG2 VAL A 104 8.233 6.743 9.147 1.00 71.40 C ATOM 0 H VAL A 104 5.605 7.104 8.527 1.00 63.05 H new ATOM 0 HA VAL A 104 6.110 8.660 10.960 1.00 33.02 H new ATOM 0 HB VAL A 104 8.568 8.641 10.094 1.00 11.23 H new ATOM 0 HG11 VAL A 104 9.019 6.799 11.709 1.00 53.54 H new ATOM 0 HG12 VAL A 104 7.778 7.915 12.327 1.00 53.54 H new ATOM 0 HG13 VAL A 104 7.301 6.341 11.649 1.00 53.54 H new ATOM 0 HG21 VAL A 104 9.249 6.386 9.317 1.00 71.40 H new ATOM 0 HG22 VAL A 104 7.537 5.908 9.227 1.00 71.40 H new ATOM 0 HG23 VAL A 104 8.164 7.179 8.150 1.00 71.40 H new ATOM 1537 N GLY A 105 5.372 9.502 8.158 1.00 44.34 N ATOM 1538 CA GLY A 105 5.128 10.550 7.204 1.00 74.44 C ATOM 1539 C GLY A 105 3.876 11.282 7.584 1.00 50.13 C ATOM 1540 O GLY A 105 3.022 11.614 6.741 1.00 45.24 O ATOM 0 H GLY A 105 4.703 8.734 8.103 1.00 44.34 H new ATOM 0 HA2 GLY A 105 5.972 11.239 7.179 1.00 74.44 H new ATOM 0 HA3 GLY A 105 5.029 10.131 6.203 1.00 74.44 H new ATOM 1544 N SER A 106 3.790 11.568 8.860 1.00 63.54 N ATOM 1545 CA SER A 106 2.654 12.190 9.491 1.00 4.13 C ATOM 1546 C SER A 106 2.455 13.649 9.040 1.00 60.13 C ATOM 1547 O SER A 106 1.501 14.312 9.457 1.00 44.12 O ATOM 1548 CB SER A 106 2.867 12.107 10.985 1.00 53.21 C ATOM 1549 OG SER A 106 3.325 10.802 11.323 1.00 74.41 O ATOM 0 H SER A 106 4.544 11.364 9.515 1.00 63.54 H new ATOM 0 HA SER A 106 1.744 11.666 9.198 1.00 4.13 H new ATOM 0 HB2 SER A 106 3.595 12.854 11.302 1.00 53.21 H new ATOM 0 HB3 SER A 106 1.937 12.326 11.509 1.00 53.21 H new ATOM 0 HG SER A 106 3.030 10.165 10.639 1.00 74.41 H new ATOM 1555 N LEU A 107 3.362 14.150 8.212 1.00 3.11 N ATOM 1556 CA LEU A 107 3.225 15.457 7.623 1.00 71.35 C ATOM 1557 C LEU A 107 2.049 15.407 6.639 1.00 23.15 C ATOM 1558 O LEU A 107 1.236 16.332 6.563 1.00 35.00 O ATOM 1559 CB LEU A 107 4.519 15.828 6.898 1.00 62.53 C ATOM 1560 CG LEU A 107 4.626 17.259 6.372 1.00 55.23 C ATOM 1561 CD1 LEU A 107 4.634 18.267 7.514 1.00 25.14 C ATOM 1562 CD2 LEU A 107 5.854 17.422 5.492 1.00 54.42 C ATOM 0 H LEU A 107 4.210 13.655 7.936 1.00 3.11 H new ATOM 0 HA LEU A 107 3.036 16.211 8.387 1.00 71.35 H new ATOM 0 HB2 LEU A 107 5.352 15.653 7.578 1.00 62.53 H new ATOM 0 HB3 LEU A 107 4.645 15.146 6.057 1.00 62.53 H new ATOM 0 HG LEU A 107 3.745 17.457 5.762 1.00 55.23 H new ATOM 0 HD11 LEU A 107 4.711 19.276 7.108 1.00 25.14 H new ATOM 0 HD12 LEU A 107 3.711 18.176 8.086 1.00 25.14 H new ATOM 0 HD13 LEU A 107 5.486 18.072 8.166 1.00 25.14 H new ATOM 0 HD21 LEU A 107 5.908 18.449 5.130 1.00 54.42 H new ATOM 0 HD22 LEU A 107 6.749 17.193 6.070 1.00 54.42 H new ATOM 0 HD23 LEU A 107 5.787 16.741 4.644 1.00 54.42 H new ATOM 1574 N ASN A 108 1.962 14.302 5.909 1.00 11.43 N ATOM 1575 CA ASN A 108 0.851 14.049 4.992 1.00 23.20 C ATOM 1576 C ASN A 108 -0.238 13.332 5.768 1.00 40.00 C ATOM 1577 O ASN A 108 -1.420 13.637 5.635 1.00 51.40 O ATOM 1578 CB ASN A 108 1.311 13.183 3.811 1.00 32.22 C ATOM 1579 CG ASN A 108 0.210 12.873 2.799 1.00 43.13 C ATOM 1580 OD1 ASN A 108 -0.519 11.912 2.952 1.00 14.33 O ATOM 1581 ND2 ASN A 108 0.136 13.629 1.729 1.00 71.21 N ATOM 0 H ASN A 108 2.657 13.556 5.934 1.00 11.43 H new ATOM 0 HA ASN A 108 0.479 14.991 4.590 1.00 23.20 H new ATOM 0 HB2 ASN A 108 2.128 13.691 3.299 1.00 32.22 H new ATOM 0 HB3 ASN A 108 1.710 12.245 4.196 1.00 32.22 H new ATOM 0 HD21 ASN A 108 -0.545 13.416 1.000 1.00 71.21 H new ATOM 0 HD22 ASN A 108 0.760 14.429 1.626 1.00 71.21 H new ATOM 1588 N GLY A 109 0.185 12.399 6.609 1.00 21.24 N ATOM 1589 CA GLY A 109 -0.741 11.697 7.459 1.00 23.11 C ATOM 1590 C GLY A 109 -1.180 10.369 6.897 1.00 30.11 C ATOM 1591 O GLY A 109 -2.131 10.302 6.113 1.00 54.34 O ATOM 0 H GLY A 109 1.160 12.118 6.714 1.00 21.24 H new ATOM 0 HA2 GLY A 109 -0.279 11.536 8.433 1.00 23.11 H new ATOM 0 HA3 GLY A 109 -1.619 12.322 7.622 1.00 23.11 H new ATOM 1595 N THR A 110 -0.495 9.324 7.266 1.00 10.23 N ATOM 1596 CA THR A 110 -0.889 8.007 6.859 1.00 30.20 C ATOM 1597 C THR A 110 -1.868 7.457 7.898 1.00 53.14 C ATOM 1598 O THR A 110 -1.542 7.343 9.090 1.00 21.23 O ATOM 1599 CB THR A 110 0.340 7.090 6.777 1.00 1.45 C ATOM 1600 OG1 THR A 110 1.358 7.726 5.987 1.00 11.41 O ATOM 1601 CG2 THR A 110 -0.005 5.727 6.184 1.00 64.01 C ATOM 0 H THR A 110 0.341 9.360 7.849 1.00 10.23 H new ATOM 0 HA THR A 110 -1.359 8.048 5.876 1.00 30.20 H new ATOM 0 HB THR A 110 0.704 6.922 7.791 1.00 1.45 H new ATOM 0 HG1 THR A 110 2.046 8.098 6.578 1.00 11.41 H new ATOM 0 HG21 THR A 110 0.893 5.110 6.144 1.00 64.01 H new ATOM 0 HG22 THR A 110 -0.754 5.238 6.807 1.00 64.01 H new ATOM 0 HG23 THR A 110 -0.400 5.858 5.177 1.00 64.01 H new ATOM 1609 N TYR A 111 -3.056 7.155 7.468 1.00 13.03 N ATOM 1610 CA TYR A 111 -4.054 6.635 8.345 1.00 24.33 C ATOM 1611 C TYR A 111 -4.326 5.209 7.947 1.00 73.41 C ATOM 1612 O TYR A 111 -4.482 4.911 6.773 1.00 50.03 O ATOM 1613 CB TYR A 111 -5.356 7.446 8.236 1.00 3.12 C ATOM 1614 CG TYR A 111 -5.180 8.944 8.343 1.00 44.12 C ATOM 1615 CD1 TYR A 111 -4.900 9.543 9.554 1.00 21.34 C ATOM 1616 CD2 TYR A 111 -5.286 9.757 7.220 1.00 54.03 C ATOM 1617 CE1 TYR A 111 -4.731 10.905 9.654 1.00 13.00 C ATOM 1618 CE2 TYR A 111 -5.119 11.122 7.310 1.00 1.34 C ATOM 1619 CZ TYR A 111 -4.840 11.690 8.532 1.00 54.34 C ATOM 1620 OH TYR A 111 -4.668 13.048 8.636 1.00 35.51 O ATOM 0 H TYR A 111 -3.358 7.263 6.500 1.00 13.03 H new ATOM 0 HA TYR A 111 -3.699 6.695 9.374 1.00 24.33 H new ATOM 0 HB2 TYR A 111 -5.831 7.217 7.282 1.00 3.12 H new ATOM 0 HB3 TYR A 111 -6.039 7.118 9.019 1.00 3.12 H new ATOM 0 HD1 TYR A 111 -4.812 8.932 10.440 1.00 21.34 H new ATOM 0 HD2 TYR A 111 -5.503 9.311 6.261 1.00 54.03 H new ATOM 0 HE1 TYR A 111 -4.513 11.355 10.611 1.00 13.00 H new ATOM 0 HE2 TYR A 111 -5.206 11.741 6.429 1.00 1.34 H new ATOM 0 HH TYR A 111 -4.776 13.460 7.753 1.00 35.51 H new ATOM 1630 N VAL A 112 -4.397 4.350 8.893 1.00 44.43 N ATOM 1631 CA VAL A 112 -4.672 2.967 8.628 1.00 72.11 C ATOM 1632 C VAL A 112 -6.068 2.670 9.121 1.00 30.15 C ATOM 1633 O VAL A 112 -6.466 3.153 10.195 1.00 73.33 O ATOM 1634 CB VAL A 112 -3.610 2.029 9.262 1.00 14.14 C ATOM 1635 CG1 VAL A 112 -3.518 2.237 10.752 1.00 42.15 C ATOM 1636 CG2 VAL A 112 -3.888 0.567 8.928 1.00 1.32 C ATOM 0 H VAL A 112 -4.268 4.574 9.880 1.00 44.43 H new ATOM 0 HA VAL A 112 -4.615 2.777 7.556 1.00 72.11 H new ATOM 0 HB VAL A 112 -2.644 2.288 8.829 1.00 14.14 H new ATOM 0 HG11 VAL A 112 -2.766 1.566 11.167 1.00 42.15 H new ATOM 0 HG12 VAL A 112 -3.237 3.270 10.959 1.00 42.15 H new ATOM 0 HG13 VAL A 112 -4.485 2.026 11.209 1.00 42.15 H new ATOM 0 HG21 VAL A 112 -3.126 -0.062 9.387 1.00 1.32 H new ATOM 0 HG22 VAL A 112 -4.869 0.287 9.311 1.00 1.32 H new ATOM 0 HG23 VAL A 112 -3.868 0.431 7.847 1.00 1.32 H new ATOM 1646 N ASN A 113 -6.816 1.944 8.314 1.00 54.00 N ATOM 1647 CA ASN A 113 -8.229 1.669 8.513 1.00 55.41 C ATOM 1648 C ASN A 113 -8.975 2.949 8.269 1.00 43.21 C ATOM 1649 O ASN A 113 -9.455 3.177 7.175 1.00 73.21 O ATOM 1650 CB ASN A 113 -8.584 1.053 9.894 1.00 50.45 C ATOM 1651 CG ASN A 113 -7.861 -0.246 10.182 1.00 31.21 C ATOM 1652 OD1 ASN A 113 -6.813 -0.259 10.823 1.00 43.21 O ATOM 1653 ND2 ASN A 113 -8.388 -1.332 9.697 1.00 15.21 N ATOM 0 H ASN A 113 -6.444 1.512 7.468 1.00 54.00 H new ATOM 0 HA ASN A 113 -8.525 0.895 7.805 1.00 55.41 H new ATOM 0 HB2 ASN A 113 -8.345 1.773 10.676 1.00 50.45 H new ATOM 0 HB3 ASN A 113 -9.659 0.879 9.939 1.00 50.45 H new ATOM 0 HD21 ASN A 113 -7.930 -2.231 9.844 1.00 15.21 H new ATOM 0 HD22 ASN A 113 -9.260 -1.284 9.169 1.00 15.21 H new ATOM 1660 N ARG A 114 -9.005 3.805 9.278 1.00 52.02 N ATOM 1661 CA ARG A 114 -9.559 5.158 9.209 1.00 53.41 C ATOM 1662 C ARG A 114 -8.866 6.003 10.297 1.00 54.35 C ATOM 1663 O ARG A 114 -9.283 7.115 10.589 1.00 71.12 O ATOM 1664 CB ARG A 114 -11.098 5.206 9.507 1.00 11.31 C ATOM 1665 CG ARG A 114 -12.052 4.417 8.589 1.00 52.31 C ATOM 1666 CD ARG A 114 -11.906 4.762 7.103 1.00 12.13 C ATOM 1667 NE ARG A 114 -11.937 6.195 6.817 1.00 3.24 N ATOM 1668 CZ ARG A 114 -11.577 6.730 5.642 1.00 1.43 C ATOM 1669 NH1 ARG A 114 -11.278 5.945 4.587 1.00 61.44 N ATOM 1670 NH2 ARG A 114 -11.546 8.049 5.504 1.00 12.41 N ATOM 0 H ARG A 114 -8.634 3.575 10.200 1.00 52.02 H new ATOM 0 HA ARG A 114 -9.394 5.529 8.197 1.00 53.41 H new ATOM 0 HB2 ARG A 114 -11.249 4.850 10.526 1.00 11.31 H new ATOM 0 HB3 ARG A 114 -11.407 6.251 9.486 1.00 11.31 H new ATOM 0 HG2 ARG A 114 -11.872 3.350 8.724 1.00 52.31 H new ATOM 0 HG3 ARG A 114 -13.080 4.609 8.898 1.00 52.31 H new ATOM 0 HD2 ARG A 114 -10.966 4.349 6.736 1.00 12.13 H new ATOM 0 HD3 ARG A 114 -12.707 4.274 6.547 1.00 12.13 H new ATOM 0 HE ARG A 114 -12.251 6.825 7.555 1.00 3.24 H new ATOM 0 HH11 ARG A 114 -11.324 4.930 4.677 1.00 61.44 H new ATOM 0 HH12 ARG A 114 -11.006 6.366 3.699 1.00 61.44 H new ATOM 0 HH21 ARG A 114 -11.795 8.650 6.290 1.00 12.41 H new ATOM 0 HH22 ARG A 114 -11.273 8.462 4.612 1.00 12.41 H new ATOM 1684 N GLU A 115 -7.781 5.482 10.870 1.00 4.25 N ATOM 1685 CA GLU A 115 -7.193 6.071 12.075 1.00 42.30 C ATOM 1686 C GLU A 115 -5.719 6.446 11.902 1.00 21.54 C ATOM 1687 O GLU A 115 -4.978 5.753 11.204 1.00 21.02 O ATOM 1688 CB GLU A 115 -7.288 5.052 13.204 1.00 34.51 C ATOM 1689 CG GLU A 115 -8.695 4.604 13.500 1.00 41.34 C ATOM 1690 CD GLU A 115 -8.735 3.482 14.479 1.00 32.13 C ATOM 1691 OE1 GLU A 115 -8.753 3.737 15.700 1.00 41.31 O ATOM 1692 OE2 GLU A 115 -8.774 2.316 14.059 1.00 64.15 O ATOM 0 H GLU A 115 -7.293 4.657 10.522 1.00 4.25 H new ATOM 0 HA GLU A 115 -7.746 6.985 12.291 1.00 42.30 H new ATOM 0 HB2 GLU A 115 -6.686 4.181 12.947 1.00 34.51 H new ATOM 0 HB3 GLU A 115 -6.856 5.483 14.107 1.00 34.51 H new ATOM 0 HG2 GLU A 115 -9.268 5.445 13.891 1.00 41.34 H new ATOM 0 HG3 GLU A 115 -9.178 4.293 12.574 1.00 41.34 H new ATOM 1699 N PRO A 116 -5.265 7.534 12.553 1.00 53.24 N ATOM 1700 CA PRO A 116 -3.862 7.925 12.547 1.00 52.42 C ATOM 1701 C PRO A 116 -3.077 7.044 13.508 1.00 2.32 C ATOM 1702 O PRO A 116 -3.367 7.002 14.706 1.00 71.30 O ATOM 1703 CB PRO A 116 -3.870 9.377 13.064 1.00 64.44 C ATOM 1704 CG PRO A 116 -5.313 9.745 13.238 1.00 52.22 C ATOM 1705 CD PRO A 116 -6.074 8.465 13.354 1.00 21.03 C ATOM 0 HA PRO A 116 -3.403 7.829 11.563 1.00 52.42 H new ATOM 0 HB2 PRO A 116 -3.330 9.458 14.007 1.00 64.44 H new ATOM 0 HB3 PRO A 116 -3.379 10.046 12.357 1.00 64.44 H new ATOM 0 HG2 PRO A 116 -5.451 10.359 14.128 1.00 52.22 H new ATOM 0 HG3 PRO A 116 -5.668 10.330 12.390 1.00 52.22 H new ATOM 0 HD2 PRO A 116 -6.161 8.138 14.390 1.00 21.03 H new ATOM 0 HD3 PRO A 116 -7.087 8.560 12.964 1.00 21.03 H new ATOM 1713 N ARG A 117 -2.120 6.329 12.999 1.00 64.43 N ATOM 1714 CA ARG A 117 -1.337 5.417 13.807 1.00 41.20 C ATOM 1715 C ARG A 117 0.108 5.559 13.456 1.00 51.43 C ATOM 1716 O ARG A 117 0.423 5.887 12.320 1.00 62.12 O ATOM 1717 CB ARG A 117 -1.769 3.971 13.540 1.00 4.13 C ATOM 1718 CG ARG A 117 -3.182 3.613 13.992 1.00 35.01 C ATOM 1719 CD ARG A 117 -3.294 3.579 15.501 1.00 3.34 C ATOM 1720 NE ARG A 117 -2.350 2.614 16.083 1.00 45.52 N ATOM 1721 CZ ARG A 117 -2.682 1.561 16.833 1.00 51.52 C ATOM 1722 NH1 ARG A 117 -3.951 1.289 17.091 1.00 12.25 N ATOM 1723 NH2 ARG A 117 -1.732 0.783 17.320 1.00 35.31 N ATOM 0 H ARG A 117 -1.853 6.354 12.015 1.00 64.43 H new ATOM 0 HA ARG A 117 -1.495 5.655 14.859 1.00 41.20 H new ATOM 0 HB2 ARG A 117 -1.689 3.778 12.470 1.00 4.13 H new ATOM 0 HB3 ARG A 117 -1.067 3.303 14.038 1.00 4.13 H new ATOM 0 HG2 ARG A 117 -3.888 4.340 13.591 1.00 35.01 H new ATOM 0 HG3 ARG A 117 -3.459 2.641 13.584 1.00 35.01 H new ATOM 0 HD2 ARG A 117 -3.098 4.572 15.905 1.00 3.34 H new ATOM 0 HD3 ARG A 117 -4.312 3.314 15.787 1.00 3.34 H new ATOM 0 HE ARG A 117 -1.358 2.762 15.898 1.00 45.52 H new ATOM 0 HH11 ARG A 117 -4.687 1.887 16.715 1.00 12.25 H new ATOM 0 HH12 ARG A 117 -4.193 0.482 17.665 1.00 12.25 H new ATOM 0 HH21 ARG A 117 -0.753 0.989 17.122 1.00 35.31 H new ATOM 0 HH22 ARG A 117 -1.978 -0.024 17.894 1.00 35.31 H new ATOM 1737 N ASN A 118 0.975 5.352 14.419 1.00 63.41 N ATOM 1738 CA ASN A 118 2.401 5.341 14.137 1.00 62.32 C ATOM 1739 C ASN A 118 2.797 3.945 13.720 1.00 3.12 C ATOM 1740 O ASN A 118 3.550 3.766 12.787 1.00 31.34 O ATOM 1741 CB ASN A 118 3.274 5.882 15.304 1.00 24.44 C ATOM 1742 CG ASN A 118 3.149 5.111 16.605 1.00 52.12 C ATOM 1743 OD1 ASN A 118 2.293 5.413 17.436 1.00 25.41 O ATOM 1744 ND2 ASN A 118 3.989 4.135 16.802 1.00 41.01 N ATOM 0 H ASN A 118 0.728 5.190 15.395 1.00 63.41 H new ATOM 0 HA ASN A 118 2.593 6.036 13.320 1.00 62.32 H new ATOM 0 HB2 ASN A 118 4.318 5.873 14.992 1.00 24.44 H new ATOM 0 HB3 ASN A 118 3.005 6.922 15.488 1.00 24.44 H new ATOM 0 HD21 ASN A 118 3.949 3.595 17.666 1.00 41.01 H new ATOM 0 HD22 ASN A 118 4.686 3.911 16.092 1.00 41.01 H new ATOM 1751 N ALA A 119 2.244 2.958 14.392 1.00 52.43 N ATOM 1752 CA ALA A 119 2.412 1.591 13.987 1.00 43.12 C ATOM 1753 C ALA A 119 1.114 0.879 14.237 1.00 12.24 C ATOM 1754 O ALA A 119 0.443 1.133 15.254 1.00 64.54 O ATOM 1755 CB ALA A 119 3.538 0.920 14.768 1.00 60.04 C ATOM 0 H ALA A 119 1.671 3.085 15.226 1.00 52.43 H new ATOM 0 HA ALA A 119 2.680 1.549 12.931 1.00 43.12 H new ATOM 0 HB1 ALA A 119 3.642 -0.114 14.440 1.00 60.04 H new ATOM 0 HB2 ALA A 119 4.472 1.453 14.590 1.00 60.04 H new ATOM 0 HB3 ALA A 119 3.305 0.941 15.833 1.00 60.04 H new ATOM 1761 N GLN A 120 0.718 0.066 13.306 1.00 10.24 N ATOM 1762 CA GLN A 120 -0.471 -0.717 13.438 1.00 43.41 C ATOM 1763 C GLN A 120 -0.213 -2.093 12.809 1.00 71.24 C ATOM 1764 O GLN A 120 0.577 -2.204 11.855 1.00 52.52 O ATOM 1765 CB GLN A 120 -1.647 0.059 12.800 1.00 74.25 C ATOM 1766 CG GLN A 120 -3.071 -0.419 13.136 1.00 23.03 C ATOM 1767 CD GLN A 120 -3.520 -1.616 12.345 1.00 54.34 C ATOM 1768 OE1 GLN A 120 -3.098 -1.813 11.210 1.00 64.22 O ATOM 1769 NE2 GLN A 120 -4.390 -2.408 12.917 1.00 1.43 N ATOM 0 H GLN A 120 1.215 -0.073 12.426 1.00 10.24 H new ATOM 0 HA GLN A 120 -0.743 -0.891 14.479 1.00 43.41 H new ATOM 0 HB2 GLN A 120 -1.563 1.104 13.097 1.00 74.25 H new ATOM 0 HB3 GLN A 120 -1.526 0.025 11.717 1.00 74.25 H new ATOM 0 HG2 GLN A 120 -3.121 -0.659 14.198 1.00 23.03 H new ATOM 0 HG3 GLN A 120 -3.768 0.400 12.962 1.00 23.03 H new ATOM 0 HE21 GLN A 120 -4.716 -2.209 13.863 1.00 1.43 H new ATOM 0 HE22 GLN A 120 -4.742 -3.224 12.417 1.00 1.43 H new ATOM 1778 N VAL A 121 -0.813 -3.117 13.346 1.00 21.11 N ATOM 1779 CA VAL A 121 -0.681 -4.446 12.784 1.00 53.42 C ATOM 1780 C VAL A 121 -1.711 -4.637 11.645 1.00 62.42 C ATOM 1781 O VAL A 121 -2.919 -4.672 11.880 1.00 63.35 O ATOM 1782 CB VAL A 121 -0.777 -5.554 13.891 1.00 1.21 C ATOM 1783 CG1 VAL A 121 -2.059 -5.476 14.700 1.00 45.02 C ATOM 1784 CG2 VAL A 121 -0.608 -6.929 13.302 1.00 33.21 C ATOM 0 H VAL A 121 -1.403 -3.064 14.176 1.00 21.11 H new ATOM 0 HA VAL A 121 0.313 -4.553 12.350 1.00 53.42 H new ATOM 0 HB VAL A 121 0.045 -5.363 14.581 1.00 1.21 H new ATOM 0 HG11 VAL A 121 -2.066 -6.268 15.449 1.00 45.02 H new ATOM 0 HG12 VAL A 121 -2.118 -4.507 15.196 1.00 45.02 H new ATOM 0 HG13 VAL A 121 -2.916 -5.596 14.037 1.00 45.02 H new ATOM 0 HG21 VAL A 121 -0.679 -7.675 14.093 1.00 33.21 H new ATOM 0 HG22 VAL A 121 -1.390 -7.107 12.564 1.00 33.21 H new ATOM 0 HG23 VAL A 121 0.368 -7.002 12.822 1.00 33.21 H new ATOM 1794 N MET A 122 -1.207 -4.759 10.424 1.00 1.34 N ATOM 1795 CA MET A 122 -2.032 -4.770 9.199 1.00 13.22 C ATOM 1796 C MET A 122 -3.140 -5.810 9.213 1.00 72.12 C ATOM 1797 O MET A 122 -2.963 -6.942 9.697 1.00 54.15 O ATOM 1798 CB MET A 122 -1.180 -4.988 7.959 1.00 24.44 C ATOM 1799 CG MET A 122 -0.245 -3.855 7.594 1.00 74.13 C ATOM 1800 SD MET A 122 0.746 -4.275 6.147 1.00 60.03 S ATOM 1801 CE MET A 122 1.626 -2.765 5.857 1.00 25.40 C ATOM 0 H MET A 122 -0.208 -4.855 10.243 1.00 1.34 H new ATOM 0 HA MET A 122 -2.500 -3.786 9.171 1.00 13.22 H new ATOM 0 HB2 MET A 122 -0.587 -5.891 8.103 1.00 24.44 H new ATOM 0 HB3 MET A 122 -1.843 -5.173 7.114 1.00 24.44 H new ATOM 0 HG2 MET A 122 -0.822 -2.952 7.394 1.00 74.13 H new ATOM 0 HG3 MET A 122 0.410 -3.634 8.436 1.00 74.13 H new ATOM 0 HE1 MET A 122 2.353 -2.915 5.059 1.00 25.40 H new ATOM 0 HE2 MET A 122 0.923 -1.984 5.566 1.00 25.40 H new ATOM 0 HE3 MET A 122 2.144 -2.465 6.768 1.00 25.40 H new ATOM 1811 N GLN A 123 -4.268 -5.431 8.665 1.00 72.44 N ATOM 1812 CA GLN A 123 -5.410 -6.287 8.586 1.00 60.42 C ATOM 1813 C GLN A 123 -5.813 -6.444 7.129 1.00 54.53 C ATOM 1814 O GLN A 123 -5.849 -5.472 6.375 1.00 44.43 O ATOM 1815 CB GLN A 123 -6.567 -5.714 9.419 1.00 51.31 C ATOM 1816 CG GLN A 123 -7.777 -6.629 9.511 1.00 71.31 C ATOM 1817 CD GLN A 123 -7.408 -8.012 10.001 1.00 44.55 C ATOM 1818 OE1 GLN A 123 -7.100 -8.900 9.204 1.00 72.31 O ATOM 1819 NE2 GLN A 123 -7.409 -8.209 11.287 1.00 71.51 N ATOM 0 H GLN A 123 -4.414 -4.507 8.258 1.00 72.44 H new ATOM 0 HA GLN A 123 -5.163 -7.267 8.994 1.00 60.42 H new ATOM 0 HB2 GLN A 123 -6.206 -5.504 10.426 1.00 51.31 H new ATOM 0 HB3 GLN A 123 -6.876 -4.763 8.986 1.00 51.31 H new ATOM 0 HG2 GLN A 123 -8.513 -6.190 10.185 1.00 71.31 H new ATOM 0 HG3 GLN A 123 -8.248 -6.706 8.531 1.00 71.31 H new ATOM 0 HE21 GLN A 123 -7.669 -7.452 11.919 1.00 71.51 H new ATOM 0 HE22 GLN A 123 -7.149 -9.121 11.663 1.00 71.51 H new ATOM 1828 N THR A 124 -6.097 -7.655 6.746 1.00 52.33 N ATOM 1829 CA THR A 124 -6.454 -7.973 5.394 1.00 12.21 C ATOM 1830 C THR A 124 -7.918 -7.637 5.106 1.00 50.53 C ATOM 1831 O THR A 124 -8.820 -7.918 5.927 1.00 14.11 O ATOM 1832 CB THR A 124 -6.141 -9.462 5.039 1.00 41.54 C ATOM 1833 OG1 THR A 124 -6.551 -9.759 3.688 1.00 34.51 O ATOM 1834 CG2 THR A 124 -6.806 -10.438 6.012 1.00 54.24 C ATOM 0 H THR A 124 -6.087 -8.460 7.372 1.00 52.33 H new ATOM 0 HA THR A 124 -5.834 -7.349 4.751 1.00 12.21 H new ATOM 0 HB THR A 124 -5.062 -9.590 5.125 1.00 41.54 H new ATOM 0 HG1 THR A 124 -6.803 -10.704 3.623 1.00 34.51 H new ATOM 0 HG21 THR A 124 -6.561 -11.461 5.726 1.00 54.24 H new ATOM 0 HG22 THR A 124 -6.445 -10.247 7.023 1.00 54.24 H new ATOM 0 HG23 THR A 124 -7.887 -10.302 5.982 1.00 54.24 H new ATOM 1842 N GLY A 125 -8.142 -6.968 3.994 1.00 21.40 N ATOM 1843 CA GLY A 125 -9.480 -6.667 3.569 1.00 62.11 C ATOM 1844 C GLY A 125 -9.906 -5.308 4.001 1.00 72.51 C ATOM 1845 O GLY A 125 -11.097 -4.991 3.985 1.00 25.44 O ATOM 0 H GLY A 125 -7.410 -6.625 3.372 1.00 21.40 H new ATOM 0 HA2 GLY A 125 -9.541 -6.739 2.483 1.00 62.11 H new ATOM 0 HA3 GLY A 125 -10.166 -7.409 3.976 1.00 62.11 H new ATOM 1849 N ASP A 126 -8.950 -4.496 4.370 1.00 2.21 N ATOM 1850 CA ASP A 126 -9.254 -3.177 4.851 1.00 33.21 C ATOM 1851 C ASP A 126 -8.483 -2.159 4.020 1.00 42.42 C ATOM 1852 O ASP A 126 -7.840 -2.532 3.021 1.00 14.10 O ATOM 1853 CB ASP A 126 -8.907 -3.060 6.333 1.00 42.41 C ATOM 1854 CG ASP A 126 -9.808 -2.081 7.049 1.00 50.50 C ATOM 1855 OD1 ASP A 126 -9.643 -0.869 6.906 1.00 22.11 O ATOM 1856 OD2 ASP A 126 -10.708 -2.528 7.786 1.00 2.12 O ATOM 0 H ASP A 126 -7.956 -4.726 4.346 1.00 2.21 H new ATOM 0 HA ASP A 126 -10.321 -2.981 4.749 1.00 33.21 H new ATOM 0 HB2 ASP A 126 -8.990 -4.040 6.803 1.00 42.41 H new ATOM 0 HB3 ASP A 126 -7.870 -2.742 6.439 1.00 42.41 H new ATOM 1861 N GLU A 127 -8.492 -0.919 4.424 1.00 0.22 N ATOM 1862 CA GLU A 127 -7.923 0.140 3.621 1.00 63.22 C ATOM 1863 C GLU A 127 -7.031 1.085 4.404 1.00 40.23 C ATOM 1864 O GLU A 127 -7.171 1.252 5.607 1.00 42.15 O ATOM 1865 CB GLU A 127 -9.002 0.911 2.864 1.00 32.42 C ATOM 1866 CG GLU A 127 -10.118 1.447 3.736 1.00 34.14 C ATOM 1867 CD GLU A 127 -11.083 2.283 2.957 1.00 4.04 C ATOM 1868 OE1 GLU A 127 -11.545 1.838 1.862 1.00 53.34 O ATOM 1869 OE2 GLU A 127 -11.427 3.397 3.416 1.00 54.23 O ATOM 0 H GLU A 127 -8.889 -0.610 5.311 1.00 0.22 H new ATOM 0 HA GLU A 127 -7.278 -0.357 2.896 1.00 63.22 H new ATOM 0 HB2 GLU A 127 -8.535 1.745 2.340 1.00 32.42 H new ATOM 0 HB3 GLU A 127 -9.433 0.258 2.105 1.00 32.42 H new ATOM 0 HG2 GLU A 127 -10.649 0.615 4.198 1.00 34.14 H new ATOM 0 HG3 GLU A 127 -9.693 2.042 4.545 1.00 34.14 H new ATOM 1876 N ILE A 128 -6.076 1.638 3.715 1.00 52.25 N ATOM 1877 CA ILE A 128 -5.170 2.610 4.251 1.00 34.10 C ATOM 1878 C ILE A 128 -5.445 3.945 3.549 1.00 31.34 C ATOM 1879 O ILE A 128 -5.476 4.020 2.310 1.00 32.35 O ATOM 1880 CB ILE A 128 -3.681 2.182 4.030 1.00 50.31 C ATOM 1881 CG1 ILE A 128 -3.409 0.821 4.707 1.00 44.10 C ATOM 1882 CG2 ILE A 128 -2.717 3.251 4.558 1.00 44.42 C ATOM 1883 CD1 ILE A 128 -1.998 0.288 4.517 1.00 33.32 C ATOM 0 H ILE A 128 -5.901 1.418 2.734 1.00 52.25 H new ATOM 0 HA ILE A 128 -5.324 2.700 5.326 1.00 34.10 H new ATOM 0 HB ILE A 128 -3.511 2.078 2.958 1.00 50.31 H new ATOM 0 HG12 ILE A 128 -3.606 0.916 5.775 1.00 44.10 H new ATOM 0 HG13 ILE A 128 -4.115 0.089 4.316 1.00 44.10 H new ATOM 0 HG21 ILE A 128 -1.689 2.928 4.392 1.00 44.42 H new ATOM 0 HG22 ILE A 128 -2.892 4.190 4.033 1.00 44.42 H new ATOM 0 HG23 ILE A 128 -2.884 3.396 5.625 1.00 44.42 H new ATOM 0 HD11 ILE A 128 -1.900 -0.671 5.026 1.00 33.32 H new ATOM 0 HD12 ILE A 128 -1.799 0.156 3.453 1.00 33.32 H new ATOM 0 HD13 ILE A 128 -1.282 0.996 4.935 1.00 33.32 H new ATOM 1895 N GLN A 129 -5.664 4.965 4.320 1.00 20.44 N ATOM 1896 CA GLN A 129 -5.957 6.273 3.804 1.00 71.45 C ATOM 1897 C GLN A 129 -4.679 7.102 3.915 1.00 62.30 C ATOM 1898 O GLN A 129 -4.232 7.413 5.007 1.00 12.23 O ATOM 1899 CB GLN A 129 -7.072 6.912 4.662 1.00 25.20 C ATOM 1900 CG GLN A 129 -7.577 8.276 4.193 1.00 72.41 C ATOM 1901 CD GLN A 129 -8.595 8.188 3.073 1.00 35.54 C ATOM 1902 OE1 GLN A 129 -9.795 8.118 3.317 1.00 0.45 O ATOM 1903 NE2 GLN A 129 -8.149 8.179 1.864 1.00 43.32 N ATOM 0 H GLN A 129 -5.645 4.915 5.339 1.00 20.44 H new ATOM 0 HA GLN A 129 -6.292 6.225 2.768 1.00 71.45 H new ATOM 0 HB2 GLN A 129 -7.917 6.225 4.694 1.00 25.20 H new ATOM 0 HB3 GLN A 129 -6.705 7.014 5.683 1.00 25.20 H new ATOM 0 HG2 GLN A 129 -8.022 8.801 5.038 1.00 72.41 H new ATOM 0 HG3 GLN A 129 -6.729 8.873 3.858 1.00 72.41 H new ATOM 0 HE21 GLN A 129 -7.146 8.238 1.690 1.00 43.32 H new ATOM 0 HE22 GLN A 129 -8.799 8.112 1.081 1.00 43.32 H new ATOM 1912 N ILE A 130 -4.096 7.441 2.812 1.00 62.12 N ATOM 1913 CA ILE A 130 -2.887 8.235 2.824 1.00 24.12 C ATOM 1914 C ILE A 130 -3.214 9.671 2.478 1.00 30.12 C ATOM 1915 O ILE A 130 -3.409 10.024 1.304 1.00 52.34 O ATOM 1916 CB ILE A 130 -1.759 7.658 1.906 1.00 63.11 C ATOM 1917 CG1 ILE A 130 -2.284 7.323 0.498 1.00 71.22 C ATOM 1918 CG2 ILE A 130 -1.107 6.448 2.553 1.00 52.01 C ATOM 1919 CD1 ILE A 130 -1.234 6.796 -0.459 1.00 60.32 C ATOM 0 H ILE A 130 -4.430 7.185 1.883 1.00 62.12 H new ATOM 0 HA ILE A 130 -2.481 8.196 3.835 1.00 24.12 H new ATOM 0 HB ILE A 130 -1.000 8.432 1.788 1.00 63.11 H new ATOM 0 HG12 ILE A 130 -3.079 6.583 0.588 1.00 71.22 H new ATOM 0 HG13 ILE A 130 -2.731 8.220 0.068 1.00 71.22 H new ATOM 0 HG21 ILE A 130 -0.326 6.062 1.898 1.00 52.01 H new ATOM 0 HG22 ILE A 130 -0.670 6.738 3.508 1.00 52.01 H new ATOM 0 HG23 ILE A 130 -1.857 5.675 2.717 1.00 52.01 H new ATOM 0 HD11 ILE A 130 -1.694 6.587 -1.425 1.00 60.32 H new ATOM 0 HD12 ILE A 130 -0.449 7.542 -0.584 1.00 60.32 H new ATOM 0 HD13 ILE A 130 -0.803 5.879 -0.057 1.00 60.32 H new ATOM 1931 N GLY A 131 -3.333 10.483 3.508 1.00 60.10 N ATOM 1932 CA GLY A 131 -3.704 11.863 3.348 1.00 12.23 C ATOM 1933 C GLY A 131 -5.118 12.008 2.832 1.00 3.12 C ATOM 1934 O GLY A 131 -6.079 12.051 3.609 1.00 14.21 O ATOM 0 H GLY A 131 -3.174 10.200 4.475 1.00 60.10 H new ATOM 0 HA2 GLY A 131 -3.612 12.378 4.304 1.00 12.23 H new ATOM 0 HA3 GLY A 131 -3.014 12.347 2.657 1.00 12.23 H new ATOM 1938 N LYS A 132 -5.248 12.037 1.526 1.00 32.11 N ATOM 1939 CA LYS A 132 -6.526 12.203 0.868 1.00 73.12 C ATOM 1940 C LYS A 132 -6.749 11.076 -0.139 1.00 30.53 C ATOM 1941 O LYS A 132 -7.788 11.010 -0.775 1.00 43.30 O ATOM 1942 CB LYS A 132 -6.565 13.555 0.128 1.00 21.33 C ATOM 1943 CG LYS A 132 -6.335 14.779 1.017 1.00 40.14 C ATOM 1944 CD LYS A 132 -7.459 14.990 2.031 1.00 33.54 C ATOM 1945 CE LYS A 132 -8.770 15.419 1.372 1.00 54.14 C ATOM 1946 NZ LYS A 132 -8.637 16.708 0.652 1.00 22.10 N ATOM 0 H LYS A 132 -4.462 11.945 0.882 1.00 32.11 H new ATOM 0 HA LYS A 132 -7.312 12.176 1.623 1.00 73.12 H new ATOM 0 HB2 LYS A 132 -5.808 13.546 -0.657 1.00 21.33 H new ATOM 0 HB3 LYS A 132 -7.533 13.657 -0.363 1.00 21.33 H new ATOM 0 HG2 LYS A 132 -5.389 14.666 1.547 1.00 40.14 H new ATOM 0 HG3 LYS A 132 -6.245 15.666 0.391 1.00 40.14 H new ATOM 0 HD2 LYS A 132 -7.621 14.066 2.586 1.00 33.54 H new ATOM 0 HD3 LYS A 132 -7.155 15.747 2.753 1.00 33.54 H new ATOM 0 HE2 LYS A 132 -9.094 14.647 0.675 1.00 54.14 H new ATOM 0 HE3 LYS A 132 -9.546 15.508 2.133 1.00 54.14 H new ATOM 0 HZ1 LYS A 132 -9.582 17.087 0.441 1.00 22.10 H new ATOM 0 HZ2 LYS A 132 -8.117 17.385 1.246 1.00 22.10 H new ATOM 0 HZ3 LYS A 132 -8.118 16.557 -0.237 1.00 22.10 H new ATOM 1960 N PHE A 133 -5.784 10.185 -0.263 1.00 33.34 N ATOM 1961 CA PHE A 133 -5.840 9.138 -1.274 1.00 61.52 C ATOM 1962 C PHE A 133 -6.091 7.805 -0.575 1.00 72.34 C ATOM 1963 O PHE A 133 -5.774 7.672 0.614 1.00 75.44 O ATOM 1964 CB PHE A 133 -4.515 9.100 -2.046 1.00 61.04 C ATOM 1965 CG PHE A 133 -3.960 10.471 -2.371 1.00 3.14 C ATOM 1966 CD1 PHE A 133 -4.671 11.365 -3.162 1.00 1.42 C ATOM 1967 CD2 PHE A 133 -2.725 10.864 -1.869 1.00 24.32 C ATOM 1968 CE1 PHE A 133 -4.161 12.621 -3.440 1.00 24.41 C ATOM 1969 CE2 PHE A 133 -2.208 12.114 -2.146 1.00 33.11 C ATOM 1970 CZ PHE A 133 -2.928 12.996 -2.931 1.00 45.21 C ATOM 0 H PHE A 133 -4.949 10.162 0.323 1.00 33.34 H new ATOM 0 HA PHE A 133 -6.645 9.334 -1.982 1.00 61.52 H new ATOM 0 HB2 PHE A 133 -3.779 8.549 -1.460 1.00 61.04 H new ATOM 0 HB3 PHE A 133 -4.661 8.548 -2.974 1.00 61.04 H new ATOM 0 HD1 PHE A 133 -5.631 11.077 -3.564 1.00 1.42 H new ATOM 0 HD2 PHE A 133 -2.160 10.180 -1.252 1.00 24.32 H new ATOM 0 HE1 PHE A 133 -4.724 13.309 -4.054 1.00 24.41 H new ATOM 0 HE2 PHE A 133 -1.245 12.402 -1.751 1.00 33.11 H new ATOM 0 HZ PHE A 133 -2.530 13.976 -3.147 1.00 45.21 H new ATOM 1980 N ARG A 134 -6.639 6.826 -1.271 1.00 5.51 N ATOM 1981 CA ARG A 134 -6.996 5.577 -0.612 1.00 60.41 C ATOM 1982 C ARG A 134 -6.360 4.359 -1.277 1.00 42.20 C ATOM 1983 O ARG A 134 -6.316 4.235 -2.519 1.00 71.44 O ATOM 1984 CB ARG A 134 -8.527 5.428 -0.469 1.00 45.31 C ATOM 1985 CG ARG A 134 -9.293 5.299 -1.778 1.00 71.21 C ATOM 1986 CD ARG A 134 -10.795 5.463 -1.570 1.00 23.53 C ATOM 1987 NE ARG A 134 -11.365 4.519 -0.596 1.00 60.22 N ATOM 1988 CZ ARG A 134 -12.642 4.550 -0.156 1.00 73.21 C ATOM 1989 NH1 ARG A 134 -13.511 5.417 -0.662 1.00 50.21 N ATOM 1990 NH2 ARG A 134 -13.039 3.722 0.781 1.00 42.32 N ATOM 0 H ARG A 134 -6.844 6.865 -2.269 1.00 5.51 H new ATOM 0 HA ARG A 134 -6.579 5.624 0.394 1.00 60.41 H new ATOM 0 HB2 ARG A 134 -8.734 4.550 0.142 1.00 45.31 H new ATOM 0 HB3 ARG A 134 -8.910 6.292 0.074 1.00 45.31 H new ATOM 0 HG2 ARG A 134 -8.939 6.051 -2.483 1.00 71.21 H new ATOM 0 HG3 ARG A 134 -9.091 4.325 -2.223 1.00 71.21 H new ATOM 0 HD2 ARG A 134 -10.997 6.481 -1.237 1.00 23.53 H new ATOM 0 HD3 ARG A 134 -11.301 5.334 -2.527 1.00 23.53 H new ATOM 0 HE ARG A 134 -10.754 3.791 -0.227 1.00 60.22 H new ATOM 0 HH11 ARG A 134 -13.217 6.068 -1.390 1.00 50.21 H new ATOM 0 HH12 ARG A 134 -14.473 5.432 -0.323 1.00 50.21 H new ATOM 0 HH21 ARG A 134 -12.383 3.051 1.180 1.00 42.32 H new ATOM 0 HH22 ARG A 134 -14.004 3.749 1.110 1.00 42.32 H new ATOM 2004 N LEU A 135 -5.858 3.500 -0.441 1.00 31.05 N ATOM 2005 CA LEU A 135 -5.181 2.283 -0.809 1.00 52.24 C ATOM 2006 C LEU A 135 -5.898 1.126 -0.112 1.00 74.40 C ATOM 2007 O LEU A 135 -6.296 1.266 1.024 1.00 75.13 O ATOM 2008 CB LEU A 135 -3.701 2.447 -0.340 1.00 40.23 C ATOM 2009 CG LEU A 135 -2.695 1.280 -0.478 1.00 75.10 C ATOM 2010 CD1 LEU A 135 -1.286 1.833 -0.334 1.00 41.43 C ATOM 2011 CD2 LEU A 135 -2.912 0.236 0.617 1.00 12.44 C ATOM 0 H LEU A 135 -5.910 3.632 0.569 1.00 31.05 H new ATOM 0 HA LEU A 135 -5.191 2.078 -1.880 1.00 52.24 H new ATOM 0 HB2 LEU A 135 -3.285 3.295 -0.883 1.00 40.23 H new ATOM 0 HB3 LEU A 135 -3.727 2.725 0.714 1.00 40.23 H new ATOM 0 HG LEU A 135 -2.840 0.810 -1.451 1.00 75.10 H new ATOM 0 HD11 LEU A 135 -0.565 1.021 -0.429 1.00 41.43 H new ATOM 0 HD12 LEU A 135 -1.104 2.573 -1.113 1.00 41.43 H new ATOM 0 HD13 LEU A 135 -1.177 2.302 0.644 1.00 41.43 H new ATOM 0 HD21 LEU A 135 -2.192 -0.573 0.496 1.00 12.44 H new ATOM 0 HD22 LEU A 135 -2.776 0.700 1.594 1.00 12.44 H new ATOM 0 HD23 LEU A 135 -3.923 -0.164 0.543 1.00 12.44 H new ATOM 2023 N VAL A 136 -6.074 0.016 -0.779 1.00 5.30 N ATOM 2024 CA VAL A 136 -6.714 -1.133 -0.158 1.00 25.11 C ATOM 2025 C VAL A 136 -5.688 -2.270 -0.008 1.00 24.41 C ATOM 2026 O VAL A 136 -4.850 -2.482 -0.898 1.00 12.13 O ATOM 2027 CB VAL A 136 -8.009 -1.584 -0.924 1.00 52.33 C ATOM 2028 CG1 VAL A 136 -7.722 -1.991 -2.356 1.00 51.15 C ATOM 2029 CG2 VAL A 136 -8.756 -2.685 -0.178 1.00 10.25 C ATOM 0 H VAL A 136 -5.788 -0.125 -1.748 1.00 5.30 H new ATOM 0 HA VAL A 136 -7.057 -0.846 0.836 1.00 25.11 H new ATOM 0 HB VAL A 136 -8.660 -0.711 -0.964 1.00 52.33 H new ATOM 0 HG11 VAL A 136 -8.650 -2.294 -2.841 1.00 51.15 H new ATOM 0 HG12 VAL A 136 -7.290 -1.148 -2.894 1.00 51.15 H new ATOM 0 HG13 VAL A 136 -7.020 -2.825 -2.364 1.00 51.15 H new ATOM 0 HG21 VAL A 136 -9.645 -2.968 -0.742 1.00 10.25 H new ATOM 0 HG22 VAL A 136 -8.107 -3.553 -0.065 1.00 10.25 H new ATOM 0 HG23 VAL A 136 -9.051 -2.322 0.807 1.00 10.25 H new ATOM 2039 N PHE A 137 -5.723 -2.955 1.114 1.00 72.12 N ATOM 2040 CA PHE A 137 -4.730 -3.968 1.433 1.00 0.45 C ATOM 2041 C PHE A 137 -5.373 -5.356 1.532 1.00 33.22 C ATOM 2042 O PHE A 137 -6.282 -5.576 2.354 1.00 24.31 O ATOM 2043 CB PHE A 137 -4.044 -3.585 2.757 1.00 10.01 C ATOM 2044 CG PHE A 137 -2.980 -4.537 3.227 1.00 45.40 C ATOM 2045 CD1 PHE A 137 -1.709 -4.493 2.686 1.00 73.44 C ATOM 2046 CD2 PHE A 137 -3.256 -5.470 4.217 1.00 41.20 C ATOM 2047 CE1 PHE A 137 -0.731 -5.359 3.120 1.00 55.13 C ATOM 2048 CE2 PHE A 137 -2.285 -6.339 4.657 1.00 31.30 C ATOM 2049 CZ PHE A 137 -1.021 -6.285 4.110 1.00 61.13 C ATOM 0 H PHE A 137 -6.437 -2.829 1.832 1.00 72.12 H new ATOM 0 HA PHE A 137 -3.988 -4.013 0.636 1.00 0.45 H new ATOM 0 HB2 PHE A 137 -3.600 -2.596 2.644 1.00 10.01 H new ATOM 0 HB3 PHE A 137 -4.806 -3.506 3.532 1.00 10.01 H new ATOM 0 HD1 PHE A 137 -1.481 -3.772 1.915 1.00 73.44 H new ATOM 0 HD2 PHE A 137 -4.246 -5.514 4.647 1.00 41.20 H new ATOM 0 HE1 PHE A 137 0.259 -5.317 2.691 1.00 55.13 H new ATOM 0 HE2 PHE A 137 -2.512 -7.061 5.428 1.00 31.30 H new ATOM 0 HZ PHE A 137 -0.255 -6.965 4.453 1.00 61.13 H new ATOM 2059 N LEU A 138 -4.908 -6.290 0.715 1.00 74.41 N ATOM 2060 CA LEU A 138 -5.461 -7.636 0.713 1.00 25.42 C ATOM 2061 C LEU A 138 -4.372 -8.674 0.837 1.00 21.11 C ATOM 2062 O LEU A 138 -3.312 -8.539 0.255 1.00 72.01 O ATOM 2063 CB LEU A 138 -6.238 -7.965 -0.585 1.00 54.55 C ATOM 2064 CG LEU A 138 -7.482 -7.148 -0.957 1.00 74.51 C ATOM 2065 CD1 LEU A 138 -8.464 -7.025 0.193 1.00 61.32 C ATOM 2066 CD2 LEU A 138 -7.137 -5.802 -1.580 1.00 12.53 C ATOM 0 H LEU A 138 -4.152 -6.141 0.047 1.00 74.41 H new ATOM 0 HA LEU A 138 -6.139 -7.664 1.566 1.00 25.42 H new ATOM 0 HB2 LEU A 138 -5.535 -7.883 -1.414 1.00 54.55 H new ATOM 0 HB3 LEU A 138 -6.541 -9.010 -0.526 1.00 54.55 H new ATOM 0 HG LEU A 138 -7.994 -7.716 -1.734 1.00 74.51 H new ATOM 0 HD11 LEU A 138 -9.325 -6.437 -0.125 1.00 61.32 H new ATOM 0 HD12 LEU A 138 -8.795 -8.018 0.497 1.00 61.32 H new ATOM 0 HD13 LEU A 138 -7.979 -6.531 1.035 1.00 61.32 H new ATOM 0 HD21 LEU A 138 -8.055 -5.267 -1.823 1.00 12.53 H new ATOM 0 HD22 LEU A 138 -6.551 -5.214 -0.874 1.00 12.53 H new ATOM 0 HD23 LEU A 138 -6.558 -5.960 -2.490 1.00 12.53 H new ATOM 2078 N ALA A 139 -4.667 -9.724 1.555 1.00 23.14 N ATOM 2079 CA ALA A 139 -3.806 -10.912 1.652 1.00 72.13 C ATOM 2080 C ALA A 139 -4.457 -11.966 0.772 1.00 32.43 C ATOM 2081 O ALA A 139 -4.523 -13.159 1.096 1.00 42.53 O ATOM 2082 CB ALA A 139 -3.729 -11.387 3.101 1.00 32.20 C ATOM 0 H ALA A 139 -5.523 -9.797 2.105 1.00 23.14 H new ATOM 0 HA ALA A 139 -2.786 -10.704 1.330 1.00 72.13 H new ATOM 0 HB1 ALA A 139 -3.089 -12.267 3.162 1.00 32.20 H new ATOM 0 HB2 ALA A 139 -3.314 -10.593 3.723 1.00 32.20 H new ATOM 0 HB3 ALA A 139 -4.729 -11.640 3.455 1.00 32.20 H new ATOM 2088 N GLY A 140 -4.855 -11.483 -0.379 1.00 34.32 N ATOM 2089 CA GLY A 140 -5.714 -12.182 -1.318 1.00 2.02 C ATOM 2090 C GLY A 140 -5.219 -13.510 -1.877 1.00 3.40 C ATOM 2091 O GLY A 140 -5.835 -14.538 -1.610 1.00 22.33 O ATOM 0 H GLY A 140 -4.582 -10.556 -0.705 1.00 34.32 H new ATOM 0 HA2 GLY A 140 -6.671 -12.360 -0.828 1.00 2.02 H new ATOM 0 HA3 GLY A 140 -5.905 -11.515 -2.158 1.00 2.02 H new ATOM 2095 N PRO A 141 -4.132 -13.542 -2.655 1.00 14.21 N ATOM 2096 CA PRO A 141 -3.731 -14.746 -3.357 1.00 44.00 C ATOM 2097 C PRO A 141 -3.066 -15.776 -2.482 1.00 70.40 C ATOM 2098 O PRO A 141 -2.068 -15.508 -1.823 1.00 35.21 O ATOM 2099 CB PRO A 141 -2.757 -14.271 -4.419 1.00 23.10 C ATOM 2100 CG PRO A 141 -2.615 -12.787 -4.236 1.00 62.35 C ATOM 2101 CD PRO A 141 -3.188 -12.454 -2.892 1.00 41.11 C ATOM 0 HA PRO A 141 -4.613 -15.248 -3.756 1.00 44.00 H new ATOM 0 HB2 PRO A 141 -1.793 -14.769 -4.312 1.00 23.10 H new ATOM 0 HB3 PRO A 141 -3.127 -14.505 -5.417 1.00 23.10 H new ATOM 0 HG2 PRO A 141 -1.568 -12.490 -4.293 1.00 62.35 H new ATOM 0 HG3 PRO A 141 -3.142 -12.249 -5.024 1.00 62.35 H new ATOM 0 HD2 PRO A 141 -2.416 -12.415 -2.123 1.00 41.11 H new ATOM 0 HD3 PRO A 141 -3.684 -11.483 -2.895 1.00 41.11 H new