USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 661 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 ASN : amide:sc= -0.701 K(o=-0.49,f=-3.3!) USER MOD Set 1.2: A 85 LYS NZ :NH3+ 162:sc= 0.695 (180deg=0) USER MOD Set 1.3: A 86 ASN : amide:sc= -0.481 K(o=-0.49,f=-5.4!) USER MOD Single : A 7 GLN : amide:sc= -0.0926 X(o=-0.093,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -179:sc= 0.717 (180deg=0.716) USER MOD Single : A 11 THR OG1 : rot -31:sc= 1.14 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.615 X(o=-0.61,f=-0.93) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -3.62 K(o=-3.6,f=-7.7!) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -3.14 K(o=-3.1,f=-5.4!) USER MOD Single : A 29 MET CE :methyl -138:sc= -0.659 (180deg=-2.21!) USER MOD Single : A 32 ASN : amide:sc= -2.67 K(o=-2.7,f=-6.5!) USER MOD Single : A 33 THR OG1 : rot 78:sc= 1.1 USER MOD Single : A 35 ASN : amide:sc= -0.675 X(o=-0.67,f=-0.6) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -160:sc= -1.04 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.687 K(o=-0.69,f=-2.2) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.0323 X(o=-0.032,f=-0.5) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 82:sc= 0.36 USER MOD Single : A 61 SER OG : rot -58:sc= 0.886 USER MOD Single : A 62 SER OG : rot 42:sc= 0.196 USER MOD Single : A 63 LYS NZ :NH3+ -165:sc= 0.253 (180deg=0.172) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot -156:sc= -1.09 USER MOD Single : A 67 MET CE :methyl -135:sc= -0.49 (180deg=-1.86!) USER MOD Single : A 69 SER OG : rot 140:sc= -0.591 USER MOD Single : A 70 MET CE :methyl -135:sc= -0.114 (180deg=-0.377) USER MOD Single : A 71 ASN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.031) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot -90:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 6 0.690 1.182 -2.094 1.00 22.13 N ATOM 2 CA VAL A 6 1.438 1.274 -3.342 1.00 71.40 C ATOM 3 C VAL A 6 0.586 1.885 -4.449 1.00 63.31 C ATOM 4 O VAL A 6 1.034 2.777 -5.168 1.00 41.32 O ATOM 5 CB VAL A 6 1.939 -0.109 -3.799 1.00 31.30 C ATOM 6 CG1 VAL A 6 2.846 0.025 -5.012 1.00 43.43 C ATOM 7 CG2 VAL A 6 2.658 -0.818 -2.661 1.00 43.40 C ATOM 0 HA VAL A 6 2.296 1.918 -3.150 1.00 71.40 H new ATOM 0 HB VAL A 6 1.077 -0.712 -4.085 1.00 31.30 H new ATOM 0 HG11 VAL A 6 3.190 -0.962 -5.320 1.00 43.43 H new ATOM 0 HG12 VAL A 6 2.294 0.488 -5.830 1.00 43.43 H new ATOM 0 HG13 VAL A 6 3.705 0.645 -4.757 1.00 43.43 H new ATOM 0 HG21 VAL A 6 3.005 -1.793 -3.002 1.00 43.40 H new ATOM 0 HG22 VAL A 6 3.512 -0.220 -2.342 1.00 43.40 H new ATOM 0 HG23 VAL A 6 1.973 -0.949 -1.823 1.00 43.40 H new ATOM 17 N GLN A 7 -0.644 1.398 -4.579 1.00 64.21 N ATOM 18 CA GLN A 7 -1.558 1.897 -5.599 1.00 71.44 C ATOM 19 C GLN A 7 -2.999 1.866 -5.101 1.00 11.14 C ATOM 20 O GLN A 7 -3.749 2.826 -5.281 1.00 31.43 O ATOM 21 CB GLN A 7 -1.431 1.067 -6.878 1.00 62.11 C ATOM 22 CG GLN A 7 0.008 0.821 -7.303 1.00 31.20 C ATOM 23 CD GLN A 7 0.114 -0.115 -8.491 1.00 54.42 C ATOM 24 OE1 GLN A 7 0.863 -1.091 -8.463 1.00 23.04 O ATOM 25 NE2 GLN A 7 -0.639 0.179 -9.545 1.00 40.21 N ATOM 0 H GLN A 7 -1.030 0.659 -3.991 1.00 64.21 H new ATOM 0 HA GLN A 7 -1.290 2.931 -5.816 1.00 71.44 H new ATOM 0 HB2 GLN A 7 -1.926 0.107 -6.729 1.00 62.11 H new ATOM 0 HB3 GLN A 7 -1.958 1.576 -7.685 1.00 62.11 H new ATOM 0 HG2 GLN A 7 0.477 1.773 -7.552 1.00 31.20 H new ATOM 0 HG3 GLN A 7 0.564 0.402 -6.464 1.00 31.20 H new ATOM 0 HE21 GLN A 7 -1.246 0.998 -9.525 1.00 40.21 H new ATOM 0 HE22 GLN A 7 -0.610 -0.415 -10.374 1.00 40.21 H new ATOM 34 N ASP A 8 -3.379 0.758 -4.474 1.00 14.32 N ATOM 35 CA ASP A 8 -4.731 0.603 -3.948 1.00 62.22 C ATOM 36 C ASP A 8 -4.710 0.462 -2.429 1.00 72.34 C ATOM 37 O ASP A 8 -5.654 0.858 -1.745 1.00 70.22 O ATOM 38 CB ASP A 8 -5.408 -0.616 -4.577 1.00 14.31 C ATOM 39 CG ASP A 8 -5.609 -0.460 -6.071 1.00 51.35 C ATOM 40 OD1 ASP A 8 -6.402 0.417 -6.475 1.00 24.21 O ATOM 41 OD2 ASP A 8 -4.974 -1.215 -6.838 1.00 14.33 O ATOM 0 H ASP A 8 -2.771 -0.046 -4.318 1.00 14.32 H new ATOM 0 HA ASP A 8 -5.300 1.497 -4.204 1.00 62.22 H new ATOM 0 HB2 ASP A 8 -4.804 -1.503 -4.385 1.00 14.31 H new ATOM 0 HB3 ASP A 8 -6.374 -0.779 -4.098 1.00 14.31 H new ATOM 46 N LYS A 9 -3.628 -0.106 -1.908 1.00 32.43 N ATOM 47 CA LYS A 9 -3.483 -0.300 -0.470 1.00 31.41 C ATOM 48 C LYS A 9 -3.094 1.004 0.219 1.00 64.24 C ATOM 49 O LYS A 9 -3.406 1.216 1.390 1.00 35.43 O ATOM 50 CB LYS A 9 -2.432 -1.375 -0.183 1.00 43.31 C ATOM 51 CG LYS A 9 -1.037 -1.001 -0.653 1.00 64.34 C ATOM 52 CD LYS A 9 -0.267 -0.254 0.422 1.00 1.35 C ATOM 53 CE LYS A 9 1.198 -0.662 0.445 1.00 43.52 C ATOM 54 NZ LYS A 9 2.103 0.521 0.443 1.00 3.13 N ATOM 0 H LYS A 9 -2.838 -0.440 -2.460 1.00 32.43 H new ATOM 0 HA LYS A 9 -4.445 -0.626 -0.074 1.00 31.41 H new ATOM 0 HB2 LYS A 9 -2.406 -1.568 0.889 1.00 43.31 H new ATOM 0 HB3 LYS A 9 -2.733 -2.304 -0.667 1.00 43.31 H new ATOM 0 HG2 LYS A 9 -0.492 -1.903 -0.931 1.00 64.34 H new ATOM 0 HG3 LYS A 9 -1.107 -0.382 -1.548 1.00 64.34 H new ATOM 0 HD2 LYS A 9 -0.344 0.819 0.247 1.00 1.35 H new ATOM 0 HD3 LYS A 9 -0.716 -0.451 1.396 1.00 1.35 H new ATOM 0 HE2 LYS A 9 1.393 -1.267 1.331 1.00 43.52 H new ATOM 0 HE3 LYS A 9 1.415 -1.287 -0.422 1.00 43.52 H new ATOM 0 HZ1 LYS A 9 3.093 0.201 0.442 1.00 3.13 H new ATOM 0 HZ2 LYS A 9 1.923 1.094 -0.406 1.00 3.13 H new ATOM 0 HZ3 LYS A 9 1.926 1.095 1.292 1.00 3.13 H new ATOM 68 N ASP A 10 -2.411 1.875 -0.517 1.00 31.43 N ATOM 69 CA ASP A 10 -1.981 3.159 0.023 1.00 53.53 C ATOM 70 C ASP A 10 -3.157 4.126 0.127 1.00 71.14 C ATOM 71 O ASP A 10 -3.063 5.168 0.776 1.00 52.34 O ATOM 72 CB ASP A 10 -0.884 3.764 -0.855 1.00 74.02 C ATOM 73 CG ASP A 10 -1.297 3.863 -2.311 1.00 25.12 C ATOM 74 OD1 ASP A 10 -2.492 3.651 -2.605 1.00 42.21 O ATOM 75 OD2 ASP A 10 -0.424 4.153 -3.156 1.00 31.04 O ATOM 0 H ASP A 10 -2.144 1.715 -1.488 1.00 31.43 H new ATOM 0 HA ASP A 10 -1.583 2.990 1.024 1.00 53.53 H new ATOM 0 HB2 ASP A 10 -0.632 4.757 -0.484 1.00 74.02 H new ATOM 0 HB3 ASP A 10 0.017 3.156 -0.776 1.00 74.02 H new ATOM 80 N THR A 11 -4.265 3.774 -0.518 1.00 72.51 N ATOM 81 CA THR A 11 -5.459 4.610 -0.500 1.00 65.13 C ATOM 82 C THR A 11 -6.580 3.951 0.295 1.00 41.04 C ATOM 83 O THR A 11 -7.740 4.356 0.204 1.00 22.31 O ATOM 84 CB THR A 11 -5.960 4.904 -1.927 1.00 21.31 C ATOM 85 OG1 THR A 11 -7.093 5.778 -1.878 1.00 20.14 O ATOM 86 CG2 THR A 11 -6.337 3.616 -2.644 1.00 13.13 C ATOM 0 H THR A 11 -4.360 2.915 -1.060 1.00 72.51 H new ATOM 0 HA THR A 11 -5.181 5.548 -0.020 1.00 65.13 H new ATOM 0 HB THR A 11 -5.154 5.386 -2.480 1.00 21.31 H new ATOM 0 HG1 THR A 11 -7.595 5.616 -1.052 1.00 20.14 H new ATOM 0 HG21 THR A 11 -6.688 3.849 -3.649 1.00 13.13 H new ATOM 0 HG22 THR A 11 -5.465 2.965 -2.705 1.00 13.13 H new ATOM 0 HG23 THR A 11 -7.129 3.110 -2.091 1.00 13.13 H new ATOM 94 N LEU A 12 -6.228 2.935 1.074 1.00 21.50 N ATOM 95 CA LEU A 12 -7.206 2.219 1.887 1.00 44.23 C ATOM 96 C LEU A 12 -7.853 3.151 2.905 1.00 14.55 C ATOM 97 O LEU A 12 -7.180 3.975 3.524 1.00 3.23 O ATOM 98 CB LEU A 12 -6.539 1.044 2.605 1.00 54.41 C ATOM 99 CG LEU A 12 -7.153 -0.333 2.351 1.00 40.02 C ATOM 100 CD1 LEU A 12 -6.063 -1.374 2.148 1.00 1.13 C ATOM 101 CD2 LEU A 12 -8.066 -0.731 3.502 1.00 43.24 C ATOM 0 H LEU A 12 -5.273 2.588 1.160 1.00 21.50 H new ATOM 0 HA LEU A 12 -7.984 1.838 1.225 1.00 44.23 H new ATOM 0 HB2 LEU A 12 -5.490 1.012 2.310 1.00 54.41 H new ATOM 0 HB3 LEU A 12 -6.563 1.238 3.677 1.00 54.41 H new ATOM 0 HG LEU A 12 -7.751 -0.281 1.441 1.00 40.02 H new ATOM 0 HD11 LEU A 12 -6.519 -2.348 1.969 1.00 1.13 H new ATOM 0 HD12 LEU A 12 -5.450 -1.097 1.290 1.00 1.13 H new ATOM 0 HD13 LEU A 12 -5.438 -1.425 3.039 1.00 1.13 H new ATOM 0 HD21 LEU A 12 -8.494 -1.714 3.304 1.00 43.24 H new ATOM 0 HD22 LEU A 12 -7.491 -0.766 4.427 1.00 43.24 H new ATOM 0 HD23 LEU A 12 -8.868 0.001 3.600 1.00 43.24 H new ATOM 113 N SER A 13 -9.164 3.014 3.076 1.00 55.32 N ATOM 114 CA SER A 13 -9.904 3.845 4.019 1.00 41.33 C ATOM 115 C SER A 13 -10.166 3.091 5.318 1.00 31.34 C ATOM 116 O SER A 13 -9.794 1.926 5.459 1.00 52.53 O ATOM 117 CB SER A 13 -11.229 4.298 3.402 1.00 20.31 C ATOM 118 OG SER A 13 -11.026 5.343 2.468 1.00 40.54 O ATOM 0 H SER A 13 -9.736 2.335 2.574 1.00 55.32 H new ATOM 0 HA SER A 13 -9.298 4.723 4.245 1.00 41.33 H new ATOM 0 HB2 SER A 13 -11.711 3.454 2.909 1.00 20.31 H new ATOM 0 HB3 SER A 13 -11.904 4.635 4.189 1.00 20.31 H new ATOM 0 HG SER A 13 -11.888 5.613 2.087 1.00 40.54 H new ATOM 124 N ASN A 14 -10.810 3.764 6.267 1.00 63.13 N ATOM 125 CA ASN A 14 -11.122 3.158 7.556 1.00 1.11 C ATOM 126 C ASN A 14 -12.309 2.207 7.437 1.00 23.21 C ATOM 127 O ASN A 14 -12.485 1.312 8.263 1.00 30.20 O ATOM 128 CB ASN A 14 -11.425 4.242 8.592 1.00 1.33 C ATOM 129 CG ASN A 14 -10.489 5.430 8.477 1.00 50.01 C ATOM 130 OD1 ASN A 14 -9.435 5.467 9.111 1.00 5.41 O ATOM 131 ND2 ASN A 14 -10.872 6.408 7.664 1.00 10.14 N ATOM 0 H ASN A 14 -11.126 4.729 6.167 1.00 63.13 H new ATOM 0 HA ASN A 14 -10.253 2.587 7.881 1.00 1.11 H new ATOM 0 HB2 ASN A 14 -12.454 4.580 8.469 1.00 1.33 H new ATOM 0 HB3 ASN A 14 -11.346 3.817 9.592 1.00 1.33 H new ATOM 0 HD21 ASN A 14 -10.283 7.233 7.546 1.00 10.14 H new ATOM 0 HD22 ASN A 14 -11.755 6.334 7.158 1.00 10.14 H new ATOM 138 N ALA A 15 -13.119 2.407 6.403 1.00 14.22 N ATOM 139 CA ALA A 15 -14.288 1.566 6.174 1.00 4.22 C ATOM 140 C ALA A 15 -13.896 0.095 6.087 1.00 73.03 C ATOM 141 O ALA A 15 -14.443 -0.745 6.800 1.00 32.13 O ATOM 142 CB ALA A 15 -15.009 1.999 4.906 1.00 20.33 C ATOM 0 H ALA A 15 -12.987 3.144 5.710 1.00 14.22 H new ATOM 0 HA ALA A 15 -14.964 1.685 7.021 1.00 4.22 H new ATOM 0 HB1 ALA A 15 -15.880 1.363 4.747 1.00 20.33 H new ATOM 0 HB2 ALA A 15 -15.331 3.036 5.006 1.00 20.33 H new ATOM 0 HB3 ALA A 15 -14.334 1.909 4.055 1.00 20.33 H new ATOM 148 N GLU A 16 -12.947 -0.209 5.207 1.00 51.00 N ATOM 149 CA GLU A 16 -12.485 -1.580 5.026 1.00 23.02 C ATOM 150 C GLU A 16 -12.029 -2.180 6.353 1.00 35.14 C ATOM 151 O GLU A 16 -12.123 -3.389 6.565 1.00 71.45 O ATOM 152 CB GLU A 16 -11.339 -1.626 4.013 1.00 3.04 C ATOM 153 CG GLU A 16 -11.676 -0.976 2.682 1.00 35.02 C ATOM 154 CD GLU A 16 -10.583 -1.161 1.648 1.00 4.04 C ATOM 155 OE1 GLU A 16 -9.992 -2.260 1.599 1.00 40.01 O ATOM 156 OE2 GLU A 16 -10.318 -0.206 0.889 1.00 43.24 O ATOM 0 H GLU A 16 -12.484 0.475 4.609 1.00 51.00 H new ATOM 0 HA GLU A 16 -13.319 -2.170 4.647 1.00 23.02 H new ATOM 0 HB2 GLU A 16 -10.468 -1.129 4.440 1.00 3.04 H new ATOM 0 HB3 GLU A 16 -11.060 -2.665 3.840 1.00 3.04 H new ATOM 0 HG2 GLU A 16 -12.606 -1.398 2.301 1.00 35.02 H new ATOM 0 HG3 GLU A 16 -11.849 0.089 2.836 1.00 35.02 H new ATOM 163 N ARG A 17 -11.536 -1.326 7.244 1.00 50.11 N ATOM 164 CA ARG A 17 -11.064 -1.771 8.550 1.00 74.03 C ATOM 165 C ARG A 17 -12.230 -2.230 9.421 1.00 22.02 C ATOM 166 O ARG A 17 -12.204 -3.324 9.984 1.00 64.11 O ATOM 167 CB ARG A 17 -10.302 -0.646 9.251 1.00 44.51 C ATOM 168 CG ARG A 17 -9.375 0.129 8.328 1.00 11.31 C ATOM 169 CD ARG A 17 -8.516 1.117 9.102 1.00 22.43 C ATOM 170 NE ARG A 17 -9.304 1.906 10.046 1.00 65.43 N ATOM 171 CZ ARG A 17 -8.768 2.699 10.967 1.00 52.13 C ATOM 172 NH1 ARG A 17 -7.451 2.809 11.067 1.00 22.24 N ATOM 173 NH2 ARG A 17 -9.551 3.385 11.789 1.00 14.41 N ATOM 0 H ARG A 17 -11.453 -0.322 7.085 1.00 50.11 H new ATOM 0 HA ARG A 17 -10.392 -2.615 8.398 1.00 74.03 H new ATOM 0 HB2 ARG A 17 -11.019 0.045 9.696 1.00 44.51 H new ATOM 0 HB3 ARG A 17 -9.717 -1.069 10.068 1.00 44.51 H new ATOM 0 HG2 ARG A 17 -8.733 -0.567 7.787 1.00 11.31 H new ATOM 0 HG3 ARG A 17 -9.965 0.663 7.583 1.00 11.31 H new ATOM 0 HD2 ARG A 17 -7.739 0.576 9.642 1.00 22.43 H new ATOM 0 HD3 ARG A 17 -8.013 1.785 8.403 1.00 22.43 H new ATOM 0 HE ARG A 17 -10.321 1.845 9.995 1.00 65.43 H new ATOM 0 HH11 ARG A 17 -6.846 2.284 10.436 1.00 22.24 H new ATOM 0 HH12 ARG A 17 -7.042 3.419 11.775 1.00 22.24 H new ATOM 0 HH21 ARG A 17 -10.565 3.304 11.714 1.00 14.41 H new ATOM 0 HH22 ARG A 17 -9.139 3.994 12.496 1.00 14.41 H new ATOM 187 N ALA A 18 -13.250 -1.386 9.528 1.00 55.40 N ATOM 188 CA ALA A 18 -14.425 -1.705 10.329 1.00 35.02 C ATOM 189 C ALA A 18 -15.160 -2.917 9.767 1.00 75.01 C ATOM 190 O ALA A 18 -15.675 -3.747 10.517 1.00 71.25 O ATOM 191 CB ALA A 18 -15.359 -0.505 10.399 1.00 25.23 C ATOM 0 H ALA A 18 -13.287 -0.475 9.070 1.00 55.40 H new ATOM 0 HA ALA A 18 -14.091 -1.950 11.337 1.00 35.02 H new ATOM 0 HB1 ALA A 18 -16.232 -0.758 11.000 1.00 25.23 H new ATOM 0 HB2 ALA A 18 -14.837 0.337 10.854 1.00 25.23 H new ATOM 0 HB3 ALA A 18 -15.678 -0.233 9.393 1.00 25.23 H new ATOM 197 N LYS A 19 -15.207 -3.013 8.442 1.00 1.15 N ATOM 198 CA LYS A 19 -15.879 -4.124 7.778 1.00 4.34 C ATOM 199 C LYS A 19 -15.064 -5.407 7.906 1.00 43.11 C ATOM 200 O LYS A 19 -15.605 -6.469 8.211 1.00 4.33 O ATOM 201 CB LYS A 19 -16.108 -3.798 6.301 1.00 55.21 C ATOM 202 CG LYS A 19 -16.340 -5.025 5.436 1.00 2.22 C ATOM 203 CD LYS A 19 -17.378 -4.760 4.359 1.00 71.12 C ATOM 204 CE LYS A 19 -16.834 -3.844 3.274 1.00 51.43 C ATOM 205 NZ LYS A 19 -17.543 -4.036 1.978 1.00 12.14 N ATOM 0 H LYS A 19 -14.787 -2.334 7.807 1.00 1.15 H new ATOM 0 HA LYS A 19 -16.843 -4.277 8.264 1.00 4.34 H new ATOM 0 HB2 LYS A 19 -16.968 -3.134 6.213 1.00 55.21 H new ATOM 0 HB3 LYS A 19 -15.244 -3.253 5.920 1.00 55.21 H new ATOM 0 HG2 LYS A 19 -15.401 -5.326 4.971 1.00 2.22 H new ATOM 0 HG3 LYS A 19 -16.667 -5.856 6.061 1.00 2.22 H new ATOM 0 HD2 LYS A 19 -17.693 -5.705 3.915 1.00 71.12 H new ATOM 0 HD3 LYS A 19 -18.263 -4.308 4.808 1.00 71.12 H new ATOM 0 HE2 LYS A 19 -16.933 -2.806 3.592 1.00 51.43 H new ATOM 0 HE3 LYS A 19 -15.770 -4.035 3.137 1.00 51.43 H new ATOM 0 HZ1 LYS A 19 -17.143 -3.394 1.265 1.00 12.14 H new ATOM 0 HZ2 LYS A 19 -17.427 -5.020 1.661 1.00 12.14 H new ATOM 0 HZ3 LYS A 19 -18.555 -3.829 2.102 1.00 12.14 H new ATOM 219 N ASN A 20 -13.760 -5.300 7.671 1.00 22.33 N ATOM 220 CA ASN A 20 -12.870 -6.453 7.761 1.00 14.51 C ATOM 221 C ASN A 20 -13.003 -7.137 9.118 1.00 24.40 C ATOM 222 O ASN A 20 -13.229 -8.345 9.197 1.00 43.03 O ATOM 223 CB ASN A 20 -11.420 -6.022 7.534 1.00 62.34 C ATOM 224 CG ASN A 20 -10.429 -6.954 8.204 1.00 5.20 C ATOM 225 OD1 ASN A 20 -10.166 -6.841 9.401 1.00 3.04 O ATOM 226 ND2 ASN A 20 -9.873 -7.881 7.432 1.00 3.33 N ATOM 0 H ASN A 20 -13.296 -4.428 7.417 1.00 22.33 H new ATOM 0 HA ASN A 20 -13.156 -7.164 6.986 1.00 14.51 H new ATOM 0 HB2 ASN A 20 -11.217 -5.989 6.464 1.00 62.34 H new ATOM 0 HB3 ASN A 20 -11.280 -5.011 7.917 1.00 62.34 H new ATOM 0 HD21 ASN A 20 -9.198 -8.536 7.827 1.00 3.33 H new ATOM 0 HD22 ASN A 20 -10.121 -7.938 6.444 1.00 3.33 H new ATOM 233 N VAL A 21 -12.860 -6.357 10.185 1.00 75.21 N ATOM 234 CA VAL A 21 -12.966 -6.887 11.539 1.00 24.31 C ATOM 235 C VAL A 21 -14.377 -7.388 11.825 1.00 1.22 C ATOM 236 O VAL A 21 -14.564 -8.381 12.526 1.00 22.32 O ATOM 237 CB VAL A 21 -12.587 -5.825 12.588 1.00 24.55 C ATOM 238 CG1 VAL A 21 -12.860 -6.341 13.993 1.00 34.10 C ATOM 239 CG2 VAL A 21 -11.128 -5.422 12.435 1.00 50.14 C ATOM 0 H VAL A 21 -12.670 -5.356 10.138 1.00 75.21 H new ATOM 0 HA VAL A 21 -12.267 -7.721 11.608 1.00 24.31 H new ATOM 0 HB VAL A 21 -13.204 -4.942 12.424 1.00 24.55 H new ATOM 0 HG11 VAL A 21 -12.586 -5.577 14.721 1.00 34.10 H new ATOM 0 HG12 VAL A 21 -13.919 -6.576 14.095 1.00 34.10 H new ATOM 0 HG13 VAL A 21 -12.270 -7.240 14.171 1.00 34.10 H new ATOM 0 HG21 VAL A 21 -10.878 -4.671 13.184 1.00 50.14 H new ATOM 0 HG22 VAL A 21 -10.493 -6.297 12.572 1.00 50.14 H new ATOM 0 HG23 VAL A 21 -10.967 -5.009 11.439 1.00 50.14 H new ATOM 249 N ASN A 22 -15.368 -6.692 11.277 1.00 70.41 N ATOM 250 CA ASN A 22 -16.764 -7.066 11.473 1.00 20.33 C ATOM 251 C ASN A 22 -17.052 -8.434 10.861 1.00 11.14 C ATOM 252 O ASN A 22 -17.785 -9.240 11.434 1.00 42.45 O ATOM 253 CB ASN A 22 -17.687 -6.014 10.856 1.00 71.04 C ATOM 254 CG ASN A 22 -19.150 -6.406 10.942 1.00 4.31 C ATOM 255 OD1 ASN A 22 -19.777 -6.276 11.993 1.00 33.43 O ATOM 256 ND2 ASN A 22 -19.699 -6.888 9.834 1.00 54.14 N ATOM 0 H ASN A 22 -15.230 -5.866 10.694 1.00 70.41 H new ATOM 0 HA ASN A 22 -16.952 -7.121 12.545 1.00 20.33 H new ATOM 0 HB2 ASN A 22 -17.538 -5.061 11.364 1.00 71.04 H new ATOM 0 HB3 ASN A 22 -17.415 -5.864 9.811 1.00 71.04 H new ATOM 0 HD21 ASN A 22 -20.680 -7.168 9.831 1.00 54.14 H new ATOM 0 HD22 ASN A 22 -19.140 -6.978 8.985 1.00 54.14 H new ATOM 263 N GLY A 23 -16.469 -8.689 9.694 1.00 50.31 N ATOM 264 CA GLY A 23 -16.675 -9.959 9.024 1.00 64.42 C ATOM 265 C GLY A 23 -15.884 -11.085 9.660 1.00 31.24 C ATOM 266 O GLY A 23 -16.325 -12.235 9.671 1.00 74.22 O ATOM 0 H GLY A 23 -15.858 -8.038 9.201 1.00 50.31 H new ATOM 0 HA2 GLY A 23 -17.736 -10.208 9.043 1.00 64.42 H new ATOM 0 HA3 GLY A 23 -16.389 -9.864 7.977 1.00 64.42 H new ATOM 270 N LEU A 24 -14.712 -10.756 10.192 1.00 61.05 N ATOM 271 CA LEU A 24 -13.856 -11.749 10.832 1.00 13.11 C ATOM 272 C LEU A 24 -14.412 -12.148 12.196 1.00 45.33 C ATOM 273 O LEU A 24 -14.410 -13.325 12.558 1.00 11.25 O ATOM 274 CB LEU A 24 -12.436 -11.203 10.987 1.00 3.00 C ATOM 275 CG LEU A 24 -11.557 -11.253 9.736 1.00 33.25 C ATOM 276 CD1 LEU A 24 -10.252 -10.509 9.971 1.00 61.11 C ATOM 277 CD2 LEU A 24 -11.286 -12.695 9.333 1.00 73.14 C ATOM 0 H LEU A 24 -14.333 -9.809 10.193 1.00 61.05 H new ATOM 0 HA LEU A 24 -13.830 -12.635 10.197 1.00 13.11 H new ATOM 0 HB2 LEU A 24 -12.501 -10.167 11.320 1.00 3.00 H new ATOM 0 HB3 LEU A 24 -11.938 -11.762 11.779 1.00 3.00 H new ATOM 0 HG LEU A 24 -12.089 -10.763 8.921 1.00 33.25 H new ATOM 0 HD11 LEU A 24 -9.640 -10.555 9.070 1.00 61.11 H new ATOM 0 HD12 LEU A 24 -10.465 -9.468 10.212 1.00 61.11 H new ATOM 0 HD13 LEU A 24 -9.714 -10.970 10.799 1.00 61.11 H new ATOM 0 HD21 LEU A 24 -10.659 -12.712 8.441 1.00 73.14 H new ATOM 0 HD22 LEU A 24 -10.774 -13.210 10.146 1.00 73.14 H new ATOM 0 HD23 LEU A 24 -12.230 -13.198 9.123 1.00 73.14 H new ATOM 289 N LEU A 25 -14.888 -11.161 12.946 1.00 4.44 N ATOM 290 CA LEU A 25 -15.449 -11.408 14.270 1.00 61.31 C ATOM 291 C LEU A 25 -16.767 -12.169 14.169 1.00 53.43 C ATOM 292 O LEU A 25 -16.951 -13.199 14.816 1.00 13.35 O ATOM 293 CB LEU A 25 -15.665 -10.087 15.010 1.00 44.25 C ATOM 294 CG LEU A 25 -16.032 -10.198 16.490 1.00 72.14 C ATOM 295 CD1 LEU A 25 -15.301 -9.141 17.302 1.00 13.41 C ATOM 296 CD2 LEU A 25 -17.537 -10.071 16.676 1.00 31.34 C ATOM 0 H LEU A 25 -14.897 -10.182 12.660 1.00 4.44 H new ATOM 0 HA LEU A 25 -14.740 -12.018 14.830 1.00 61.31 H new ATOM 0 HB2 LEU A 25 -14.755 -9.494 14.926 1.00 44.25 H new ATOM 0 HB3 LEU A 25 -16.454 -9.534 14.501 1.00 44.25 H new ATOM 0 HG LEU A 25 -15.723 -11.180 16.849 1.00 72.14 H new ATOM 0 HD11 LEU A 25 -15.575 -9.236 18.353 1.00 13.41 H new ATOM 0 HD12 LEU A 25 -14.225 -9.278 17.194 1.00 13.41 H new ATOM 0 HD13 LEU A 25 -15.578 -8.150 16.943 1.00 13.41 H new ATOM 0 HD21 LEU A 25 -17.781 -10.152 17.735 1.00 31.34 H new ATOM 0 HD22 LEU A 25 -17.870 -9.103 16.300 1.00 31.34 H new ATOM 0 HD23 LEU A 25 -18.040 -10.866 16.126 1.00 31.34 H new ATOM 308 N GLN A 26 -17.680 -11.654 13.351 1.00 62.45 N ATOM 309 CA GLN A 26 -18.980 -12.286 13.164 1.00 75.43 C ATOM 310 C GLN A 26 -18.823 -13.717 12.659 1.00 51.11 C ATOM 311 O GLN A 26 -19.584 -14.607 13.038 1.00 74.23 O ATOM 312 CB GLN A 26 -19.828 -11.477 12.181 1.00 11.41 C ATOM 313 CG GLN A 26 -19.350 -11.574 10.741 1.00 33.23 C ATOM 314 CD GLN A 26 -20.067 -12.658 9.961 1.00 72.13 C ATOM 315 OE1 GLN A 26 -20.626 -13.590 10.540 1.00 70.01 O ATOM 316 NE2 GLN A 26 -20.055 -12.542 8.638 1.00 52.21 N ATOM 0 H GLN A 26 -17.543 -10.802 12.808 1.00 62.45 H new ATOM 0 HA GLN A 26 -19.484 -12.314 14.130 1.00 75.43 H new ATOM 0 HB2 GLN A 26 -20.861 -11.821 12.236 1.00 11.41 H new ATOM 0 HB3 GLN A 26 -19.824 -10.431 12.487 1.00 11.41 H new ATOM 0 HG2 GLN A 26 -19.502 -10.615 10.246 1.00 33.23 H new ATOM 0 HG3 GLN A 26 -18.278 -11.772 10.730 1.00 33.23 H new ATOM 0 HE21 GLN A 26 -19.580 -11.753 8.199 1.00 52.21 H new ATOM 0 HE22 GLN A 26 -20.521 -13.242 8.060 1.00 52.21 H new ATOM 325 N VAL A 27 -17.830 -13.931 11.801 1.00 13.22 N ATOM 326 CA VAL A 27 -17.572 -15.253 11.245 1.00 74.53 C ATOM 327 C VAL A 27 -16.861 -16.146 12.256 1.00 53.13 C ATOM 328 O VAL A 27 -17.364 -17.209 12.624 1.00 42.50 O ATOM 329 CB VAL A 27 -16.721 -15.167 9.964 1.00 20.41 C ATOM 330 CG1 VAL A 27 -16.074 -16.510 9.662 1.00 65.22 C ATOM 331 CG2 VAL A 27 -17.569 -14.699 8.791 1.00 32.13 C ATOM 0 H VAL A 27 -17.191 -13.205 11.476 1.00 13.22 H new ATOM 0 HA VAL A 27 -18.541 -15.688 11.000 1.00 74.53 H new ATOM 0 HB VAL A 27 -15.928 -14.436 10.124 1.00 20.41 H new ATOM 0 HG11 VAL A 27 -15.477 -16.430 8.754 1.00 65.22 H new ATOM 0 HG12 VAL A 27 -15.432 -16.800 10.494 1.00 65.22 H new ATOM 0 HG13 VAL A 27 -16.849 -17.264 9.522 1.00 65.22 H new ATOM 0 HG21 VAL A 27 -16.951 -14.644 7.895 1.00 32.13 H new ATOM 0 HG22 VAL A 27 -18.384 -15.404 8.627 1.00 32.13 H new ATOM 0 HG23 VAL A 27 -17.980 -13.713 9.009 1.00 32.13 H new ATOM 341 N LEU A 28 -15.689 -15.708 12.702 1.00 53.33 N ATOM 342 CA LEU A 28 -14.908 -16.467 13.672 1.00 44.51 C ATOM 343 C LEU A 28 -15.754 -16.831 14.888 1.00 43.53 C ATOM 344 O LEU A 28 -15.644 -17.932 15.425 1.00 73.32 O ATOM 345 CB LEU A 28 -13.683 -15.662 14.111 1.00 0.20 C ATOM 346 CG LEU A 28 -12.549 -15.556 13.091 1.00 4.22 C ATOM 347 CD1 LEU A 28 -11.763 -14.270 13.298 1.00 32.12 C ATOM 348 CD2 LEU A 28 -11.630 -16.765 13.187 1.00 32.44 C ATOM 0 H LEU A 28 -15.259 -14.831 12.407 1.00 53.33 H new ATOM 0 HA LEU A 28 -14.578 -17.389 13.194 1.00 44.51 H new ATOM 0 HB2 LEU A 28 -14.009 -14.654 14.368 1.00 0.20 H new ATOM 0 HB3 LEU A 28 -13.285 -16.111 15.021 1.00 0.20 H new ATOM 0 HG LEU A 28 -12.986 -15.535 12.093 1.00 4.22 H new ATOM 0 HD11 LEU A 28 -10.960 -14.212 12.563 1.00 32.12 H new ATOM 0 HD12 LEU A 28 -12.427 -13.414 13.178 1.00 32.12 H new ATOM 0 HD13 LEU A 28 -11.338 -14.261 14.302 1.00 32.12 H new ATOM 0 HD21 LEU A 28 -10.829 -16.672 12.454 1.00 32.44 H new ATOM 0 HD22 LEU A 28 -11.201 -16.818 14.188 1.00 32.44 H new ATOM 0 HD23 LEU A 28 -12.200 -17.672 12.988 1.00 32.44 H new ATOM 360 N MET A 29 -16.599 -15.898 15.315 1.00 45.20 N ATOM 361 CA MET A 29 -17.466 -16.122 16.465 1.00 31.25 C ATOM 362 C MET A 29 -18.625 -17.045 16.101 1.00 43.12 C ATOM 363 O MET A 29 -19.170 -17.740 16.958 1.00 33.10 O ATOM 364 CB MET A 29 -18.005 -14.791 16.992 1.00 14.10 C ATOM 365 CG MET A 29 -19.227 -14.289 16.239 1.00 62.41 C ATOM 366 SD MET A 29 -19.818 -12.701 16.854 1.00 34.10 S ATOM 367 CE MET A 29 -21.342 -12.526 15.929 1.00 35.34 C ATOM 0 H MET A 29 -16.701 -14.980 14.882 1.00 45.20 H new ATOM 0 HA MET A 29 -16.875 -16.601 17.246 1.00 31.25 H new ATOM 0 HB2 MET A 29 -18.259 -14.903 18.046 1.00 14.10 H new ATOM 0 HB3 MET A 29 -17.217 -14.040 16.932 1.00 14.10 H new ATOM 0 HG2 MET A 29 -18.984 -14.197 15.180 1.00 62.41 H new ATOM 0 HG3 MET A 29 -20.026 -15.026 16.319 1.00 62.41 H new ATOM 0 HE1 MET A 29 -21.440 -11.498 15.580 1.00 35.34 H new ATOM 0 HE2 MET A 29 -21.327 -13.200 15.073 1.00 35.34 H new ATOM 0 HE3 MET A 29 -22.188 -12.773 16.571 1.00 35.34 H new ATOM 377 N ASP A 30 -18.995 -17.046 14.825 1.00 13.02 N ATOM 378 CA ASP A 30 -20.089 -17.884 14.347 1.00 20.14 C ATOM 379 C ASP A 30 -19.749 -19.363 14.504 1.00 1.15 C ATOM 380 O ASP A 30 -20.547 -20.141 15.027 1.00 32.04 O ATOM 381 CB ASP A 30 -20.397 -17.572 12.882 1.00 4.41 C ATOM 382 CG ASP A 30 -21.765 -16.945 12.699 1.00 71.53 C ATOM 383 OD1 ASP A 30 -22.231 -16.256 13.629 1.00 12.04 O ATOM 384 OD2 ASP A 30 -22.370 -17.146 11.625 1.00 55.34 O ATOM 0 H ASP A 30 -18.554 -16.476 14.103 1.00 13.02 H new ATOM 0 HA ASP A 30 -20.971 -17.666 14.950 1.00 20.14 H new ATOM 0 HB2 ASP A 30 -19.636 -16.898 12.489 1.00 4.41 H new ATOM 0 HB3 ASP A 30 -20.341 -18.491 12.298 1.00 4.41 H new ATOM 389 N ILE A 31 -18.561 -19.743 14.048 1.00 64.24 N ATOM 390 CA ILE A 31 -18.116 -21.128 14.138 1.00 62.33 C ATOM 391 C ILE A 31 -17.711 -21.484 15.564 1.00 30.12 C ATOM 392 O ILE A 31 -17.904 -22.614 16.011 1.00 1.34 O ATOM 393 CB ILE A 31 -16.928 -21.400 13.196 1.00 61.50 C ATOM 394 CG1 ILE A 31 -16.395 -22.819 13.409 1.00 44.31 C ATOM 395 CG2 ILE A 31 -15.827 -20.375 13.422 1.00 21.24 C ATOM 396 CD1 ILE A 31 -17.453 -23.890 13.267 1.00 51.12 C ATOM 0 H ILE A 31 -17.889 -19.111 13.612 1.00 64.24 H new ATOM 0 HA ILE A 31 -18.959 -21.750 13.836 1.00 62.33 H new ATOM 0 HB ILE A 31 -17.273 -21.312 12.166 1.00 61.50 H new ATOM 0 HG12 ILE A 31 -15.597 -23.010 12.691 1.00 44.31 H new ATOM 0 HG13 ILE A 31 -15.952 -22.887 14.403 1.00 44.31 H new ATOM 0 HG21 ILE A 31 -14.995 -20.581 12.749 1.00 21.24 H new ATOM 0 HG22 ILE A 31 -16.214 -19.375 13.225 1.00 21.24 H new ATOM 0 HG23 ILE A 31 -15.482 -20.433 14.454 1.00 21.24 H new ATOM 0 HD11 ILE A 31 -17.004 -24.869 13.431 1.00 51.12 H new ATOM 0 HD12 ILE A 31 -18.240 -23.724 14.003 1.00 51.12 H new ATOM 0 HD13 ILE A 31 -17.879 -23.850 12.265 1.00 51.12 H new ATOM 408 N ASN A 32 -17.150 -20.511 16.274 1.00 11.25 N ATOM 409 CA ASN A 32 -16.719 -20.721 17.652 1.00 50.31 C ATOM 410 C ASN A 32 -17.920 -20.831 18.587 1.00 64.43 C ATOM 411 O ASN A 32 -17.882 -21.556 19.582 1.00 61.34 O ATOM 412 CB ASN A 32 -15.810 -19.576 18.104 1.00 54.31 C ATOM 413 CG ASN A 32 -15.027 -19.919 19.356 1.00 63.41 C ATOM 414 OD1 ASN A 32 -15.573 -20.471 20.312 1.00 43.33 O ATOM 415 ND2 ASN A 32 -13.739 -19.594 19.356 1.00 72.03 N ATOM 0 H ASN A 32 -16.983 -19.570 15.919 1.00 11.25 H new ATOM 0 HA ASN A 32 -16.162 -21.657 17.694 1.00 50.31 H new ATOM 0 HB2 ASN A 32 -15.116 -19.328 17.301 1.00 54.31 H new ATOM 0 HB3 ASN A 32 -16.414 -18.688 18.288 1.00 54.31 H new ATOM 0 HD21 ASN A 32 -13.161 -19.801 20.170 1.00 72.03 H new ATOM 0 HD22 ASN A 32 -13.328 -19.137 18.542 1.00 72.03 H new ATOM 422 N THR A 33 -18.986 -20.108 18.260 1.00 10.30 N ATOM 423 CA THR A 33 -20.198 -20.124 19.070 1.00 43.44 C ATOM 424 C THR A 33 -21.124 -21.259 18.651 1.00 71.35 C ATOM 425 O THR A 33 -21.846 -21.822 19.475 1.00 1.10 O ATOM 426 CB THR A 33 -20.960 -18.789 18.966 1.00 74.33 C ATOM 427 OG1 THR A 33 -20.111 -17.707 19.363 1.00 63.23 O ATOM 428 CG2 THR A 33 -22.206 -18.809 19.838 1.00 13.23 C ATOM 0 H THR A 33 -19.035 -19.504 17.440 1.00 10.30 H new ATOM 0 HA THR A 33 -19.886 -20.276 20.103 1.00 43.44 H new ATOM 0 HB THR A 33 -21.263 -18.649 17.928 1.00 74.33 H new ATOM 0 HG1 THR A 33 -19.495 -17.489 18.632 1.00 63.23 H new ATOM 0 HG21 THR A 33 -22.728 -17.856 19.749 1.00 13.23 H new ATOM 0 HG22 THR A 33 -22.864 -19.615 19.514 1.00 13.23 H new ATOM 0 HG23 THR A 33 -21.920 -18.970 20.877 1.00 13.23 H new ATOM 436 N LEU A 34 -21.099 -21.593 17.365 1.00 52.11 N ATOM 437 CA LEU A 34 -21.937 -22.664 16.836 1.00 51.51 C ATOM 438 C LEU A 34 -21.747 -23.949 17.634 1.00 25.23 C ATOM 439 O LEU A 34 -22.706 -24.669 17.909 1.00 2.41 O ATOM 440 CB LEU A 34 -21.611 -22.912 15.362 1.00 13.11 C ATOM 441 CG LEU A 34 -21.729 -24.359 14.883 1.00 31.44 C ATOM 442 CD1 LEU A 34 -23.155 -24.862 15.049 1.00 23.25 C ATOM 443 CD2 LEU A 34 -21.285 -24.479 13.433 1.00 61.21 C ATOM 0 H LEU A 34 -20.508 -21.138 16.670 1.00 52.11 H new ATOM 0 HA LEU A 34 -22.978 -22.355 16.924 1.00 51.51 H new ATOM 0 HB2 LEU A 34 -22.273 -22.294 14.755 1.00 13.11 H new ATOM 0 HB3 LEU A 34 -20.594 -22.570 15.173 1.00 13.11 H new ATOM 0 HG LEU A 34 -21.073 -24.978 15.495 1.00 31.44 H new ATOM 0 HD11 LEU A 34 -23.220 -25.894 14.703 1.00 23.25 H new ATOM 0 HD12 LEU A 34 -23.438 -24.814 16.101 1.00 23.25 H new ATOM 0 HD13 LEU A 34 -23.831 -24.240 14.463 1.00 23.25 H new ATOM 0 HD21 LEU A 34 -21.376 -25.516 13.109 1.00 61.21 H new ATOM 0 HD22 LEU A 34 -21.914 -23.847 12.806 1.00 61.21 H new ATOM 0 HD23 LEU A 34 -20.246 -24.160 13.343 1.00 61.21 H new ATOM 455 N ASN A 35 -20.502 -24.230 18.005 1.00 24.15 N ATOM 456 CA ASN A 35 -20.185 -25.428 18.774 1.00 33.43 C ATOM 457 C ASN A 35 -18.708 -25.457 19.153 1.00 23.32 C ATOM 458 O ASN A 35 -18.127 -26.524 19.349 1.00 11.02 O ATOM 459 CB ASN A 35 -20.543 -26.682 17.974 1.00 63.32 C ATOM 460 CG ASN A 35 -20.437 -27.947 18.803 1.00 31.43 C ATOM 461 OD1 ASN A 35 -21.180 -28.135 19.767 1.00 3.32 O ATOM 462 ND2 ASN A 35 -19.511 -28.823 18.431 1.00 24.03 N ATOM 0 H ASN A 35 -19.696 -23.644 17.786 1.00 24.15 H new ATOM 0 HA ASN A 35 -20.776 -25.408 19.690 1.00 33.43 H new ATOM 0 HB2 ASN A 35 -21.559 -26.587 17.590 1.00 63.32 H new ATOM 0 HB3 ASN A 35 -19.882 -26.760 17.111 1.00 63.32 H new ATOM 0 HD21 ASN A 35 -19.394 -29.693 18.951 1.00 24.03 H new ATOM 0 HD22 ASN A 35 -18.917 -28.626 17.626 1.00 24.03 H new ATOM 469 N GLY A 36 -18.105 -24.276 19.255 1.00 71.40 N ATOM 470 CA GLY A 36 -16.701 -24.188 19.610 1.00 22.45 C ATOM 471 C GLY A 36 -16.439 -24.601 21.045 1.00 20.33 C ATOM 472 O GLY A 36 -15.322 -24.979 21.396 1.00 60.21 O ATOM 0 H GLY A 36 -18.564 -23.379 19.098 1.00 71.40 H new ATOM 0 HA2 GLY A 36 -16.120 -24.822 18.941 1.00 22.45 H new ATOM 0 HA3 GLY A 36 -16.355 -23.165 19.461 1.00 22.45 H new ATOM 476 N GLY A 37 -17.472 -24.528 21.879 1.00 53.51 N ATOM 477 CA GLY A 37 -17.327 -24.898 23.274 1.00 34.15 C ATOM 478 C GLY A 37 -16.532 -23.879 24.065 1.00 1.34 C ATOM 479 O GLY A 37 -15.968 -24.198 25.112 1.00 11.31 O ATOM 0 H GLY A 37 -18.407 -24.219 21.613 1.00 53.51 H new ATOM 0 HA2 GLY A 37 -18.315 -25.010 23.721 1.00 34.15 H new ATOM 0 HA3 GLY A 37 -16.835 -25.868 23.340 1.00 34.15 H new ATOM 483 N SER A 38 -16.485 -22.649 23.564 1.00 45.33 N ATOM 484 CA SER A 38 -15.747 -21.580 24.228 1.00 73.22 C ATOM 485 C SER A 38 -16.630 -20.352 24.424 1.00 13.41 C ATOM 486 O SER A 38 -16.661 -19.454 23.582 1.00 62.42 O ATOM 487 CB SER A 38 -14.507 -21.206 23.414 1.00 3.15 C ATOM 488 OG SER A 38 -13.462 -22.141 23.619 1.00 43.01 O ATOM 0 H SER A 38 -16.949 -22.368 22.700 1.00 45.33 H new ATOM 0 HA SER A 38 -15.434 -21.941 25.208 1.00 73.22 H new ATOM 0 HB2 SER A 38 -14.762 -21.167 22.355 1.00 3.15 H new ATOM 0 HB3 SER A 38 -14.169 -20.209 23.698 1.00 3.15 H new ATOM 0 HG SER A 38 -12.681 -21.881 23.087 1.00 43.01 H new ATOM 494 N SER A 39 -17.348 -20.319 25.543 1.00 43.24 N ATOM 495 CA SER A 39 -18.235 -19.203 25.849 1.00 1.03 C ATOM 496 C SER A 39 -17.473 -17.882 25.829 1.00 3.54 C ATOM 497 O SER A 39 -18.057 -16.818 25.619 1.00 63.41 O ATOM 498 CB SER A 39 -18.891 -19.406 27.217 1.00 64.15 C ATOM 499 OG SER A 39 -18.286 -18.583 28.199 1.00 34.12 O ATOM 0 H SER A 39 -17.332 -21.052 26.252 1.00 43.24 H new ATOM 0 HA SER A 39 -19.010 -19.167 25.084 1.00 1.03 H new ATOM 0 HB2 SER A 39 -19.955 -19.177 27.151 1.00 64.15 H new ATOM 0 HB3 SER A 39 -18.807 -20.452 27.513 1.00 64.15 H new ATOM 0 HG SER A 39 -18.724 -18.730 29.064 1.00 34.12 H new ATOM 505 N ASP A 40 -16.165 -17.957 26.050 1.00 21.02 N ATOM 506 CA ASP A 40 -15.321 -16.768 26.057 1.00 43.10 C ATOM 507 C ASP A 40 -14.897 -16.394 24.640 1.00 71.10 C ATOM 508 O ASP A 40 -14.011 -15.561 24.444 1.00 72.41 O ATOM 509 CB ASP A 40 -14.085 -16.999 26.928 1.00 42.21 C ATOM 510 CG ASP A 40 -14.262 -16.469 28.337 1.00 13.41 C ATOM 511 OD1 ASP A 40 -14.718 -15.315 28.484 1.00 71.54 O ATOM 512 OD2 ASP A 40 -13.945 -17.207 29.293 1.00 4.55 O ATOM 0 H ASP A 40 -15.666 -18.829 26.227 1.00 21.02 H new ATOM 0 HA ASP A 40 -15.900 -15.944 26.473 1.00 43.10 H new ATOM 0 HB2 ASP A 40 -13.868 -18.066 26.969 1.00 42.21 H new ATOM 0 HB3 ASP A 40 -13.224 -16.516 26.467 1.00 42.21 H new ATOM 517 N THR A 41 -15.535 -17.016 23.653 1.00 33.13 N ATOM 518 CA THR A 41 -15.224 -16.751 22.255 1.00 44.14 C ATOM 519 C THR A 41 -15.089 -15.255 21.995 1.00 2.24 C ATOM 520 O THR A 41 -14.137 -14.810 21.355 1.00 52.44 O ATOM 521 CB THR A 41 -16.303 -17.327 21.319 1.00 33.13 C ATOM 522 OG1 THR A 41 -16.100 -16.850 19.984 1.00 34.44 O ATOM 523 CG2 THR A 41 -17.695 -16.939 21.796 1.00 60.13 C ATOM 0 H THR A 41 -16.271 -17.707 23.797 1.00 33.13 H new ATOM 0 HA THR A 41 -14.273 -17.241 22.046 1.00 44.14 H new ATOM 0 HB THR A 41 -16.221 -18.414 21.331 1.00 33.13 H new ATOM 0 HG1 THR A 41 -16.931 -16.945 19.473 1.00 34.44 H new ATOM 0 HG21 THR A 41 -18.441 -17.357 21.120 1.00 60.13 H new ATOM 0 HG22 THR A 41 -17.857 -17.329 22.801 1.00 60.13 H new ATOM 0 HG23 THR A 41 -17.785 -15.853 21.810 1.00 60.13 H new ATOM 531 N ALA A 42 -16.047 -14.483 22.498 1.00 20.21 N ATOM 532 CA ALA A 42 -16.033 -13.036 22.323 1.00 32.20 C ATOM 533 C ALA A 42 -14.649 -12.462 22.608 1.00 55.15 C ATOM 534 O ALA A 42 -14.192 -11.550 21.918 1.00 25.43 O ATOM 535 CB ALA A 42 -17.072 -12.386 23.224 1.00 12.42 C ATOM 0 H ALA A 42 -16.843 -14.836 23.030 1.00 20.21 H new ATOM 0 HA ALA A 42 -16.281 -12.818 21.284 1.00 32.20 H new ATOM 0 HB1 ALA A 42 -17.051 -11.305 23.083 1.00 12.42 H new ATOM 0 HB2 ALA A 42 -18.062 -12.766 22.971 1.00 12.42 H new ATOM 0 HB3 ALA A 42 -16.849 -12.621 24.265 1.00 12.42 H new ATOM 541 N ASP A 43 -13.989 -13.000 23.627 1.00 61.24 N ATOM 542 CA ASP A 43 -12.657 -12.541 24.002 1.00 24.31 C ATOM 543 C ASP A 43 -11.604 -13.083 23.040 1.00 40.11 C ATOM 544 O ASP A 43 -10.739 -12.344 22.568 1.00 31.35 O ATOM 545 CB ASP A 43 -12.329 -12.974 25.432 1.00 11.11 C ATOM 546 CG ASP A 43 -12.541 -11.859 26.437 1.00 13.12 C ATOM 547 OD1 ASP A 43 -11.911 -10.793 26.282 1.00 45.42 O ATOM 548 OD2 ASP A 43 -13.337 -12.053 27.380 1.00 55.11 O ATOM 0 H ASP A 43 -14.354 -13.754 24.208 1.00 61.24 H new ATOM 0 HA ASP A 43 -12.647 -11.452 23.948 1.00 24.31 H new ATOM 0 HB2 ASP A 43 -12.952 -13.826 25.702 1.00 11.11 H new ATOM 0 HB3 ASP A 43 -11.293 -13.309 25.479 1.00 11.11 H new ATOM 553 N LYS A 44 -11.683 -14.378 22.753 1.00 4.11 N ATOM 554 CA LYS A 44 -10.738 -15.020 21.847 1.00 23.22 C ATOM 555 C LYS A 44 -10.802 -14.392 20.459 1.00 74.13 C ATOM 556 O LYS A 44 -9.788 -13.946 19.921 1.00 31.42 O ATOM 557 CB LYS A 44 -11.028 -16.520 21.754 1.00 4.12 C ATOM 558 CG LYS A 44 -10.628 -17.295 22.998 1.00 51.11 C ATOM 559 CD LYS A 44 -11.741 -18.222 23.459 1.00 44.24 C ATOM 560 CE LYS A 44 -11.815 -18.292 24.976 1.00 12.32 C ATOM 561 NZ LYS A 44 -10.747 -19.160 25.545 1.00 41.54 N ATOM 0 H LYS A 44 -12.392 -15.004 23.135 1.00 4.11 H new ATOM 0 HA LYS A 44 -9.734 -14.874 22.246 1.00 23.22 H new ATOM 0 HB2 LYS A 44 -12.093 -16.665 21.572 1.00 4.12 H new ATOM 0 HB3 LYS A 44 -10.499 -16.931 20.894 1.00 4.12 H new ATOM 0 HG2 LYS A 44 -9.730 -17.877 22.792 1.00 51.11 H new ATOM 0 HG3 LYS A 44 -10.379 -16.598 23.798 1.00 51.11 H new ATOM 0 HD2 LYS A 44 -12.694 -17.873 23.063 1.00 44.24 H new ATOM 0 HD3 LYS A 44 -11.575 -19.221 23.055 1.00 44.24 H new ATOM 0 HE2 LYS A 44 -11.726 -17.288 25.390 1.00 12.32 H new ATOM 0 HE3 LYS A 44 -12.791 -18.674 25.275 1.00 12.32 H new ATOM 0 HZ1 LYS A 44 -10.832 -19.181 26.581 1.00 41.54 H new ATOM 0 HZ2 LYS A 44 -10.847 -20.125 25.170 1.00 41.54 H new ATOM 0 HZ3 LYS A 44 -9.815 -18.781 25.282 1.00 41.54 H new ATOM 575 N ILE A 45 -12.000 -14.359 19.885 1.00 52.04 N ATOM 576 CA ILE A 45 -12.196 -13.783 18.560 1.00 13.21 C ATOM 577 C ILE A 45 -11.825 -12.304 18.543 1.00 11.15 C ATOM 578 O ILE A 45 -11.379 -11.777 17.524 1.00 3.14 O ATOM 579 CB ILE A 45 -13.654 -13.940 18.088 1.00 63.11 C ATOM 580 CG1 ILE A 45 -14.126 -15.381 18.291 1.00 21.30 C ATOM 581 CG2 ILE A 45 -13.784 -13.535 16.627 1.00 22.31 C ATOM 582 CD1 ILE A 45 -13.071 -16.415 17.962 1.00 14.31 C ATOM 0 H ILE A 45 -12.849 -14.724 20.316 1.00 52.04 H new ATOM 0 HA ILE A 45 -11.541 -14.327 17.879 1.00 13.21 H new ATOM 0 HB ILE A 45 -14.287 -13.283 18.685 1.00 63.11 H new ATOM 0 HG12 ILE A 45 -14.439 -15.510 19.327 1.00 21.30 H new ATOM 0 HG13 ILE A 45 -15.003 -15.558 17.669 1.00 21.30 H new ATOM 0 HG21 ILE A 45 -14.820 -13.651 16.308 1.00 22.31 H new ATOM 0 HG22 ILE A 45 -13.483 -12.494 16.510 1.00 22.31 H new ATOM 0 HG23 ILE A 45 -13.142 -14.169 16.015 1.00 22.31 H new ATOM 0 HD11 ILE A 45 -13.475 -17.413 18.129 1.00 14.31 H new ATOM 0 HD12 ILE A 45 -12.775 -16.313 16.918 1.00 14.31 H new ATOM 0 HD13 ILE A 45 -12.202 -16.264 18.602 1.00 14.31 H new ATOM 594 N ARG A 46 -12.011 -11.640 19.680 1.00 52.04 N ATOM 595 CA ARG A 46 -11.695 -10.221 19.796 1.00 34.51 C ATOM 596 C ARG A 46 -10.208 -9.975 19.562 1.00 2.33 C ATOM 597 O ARG A 46 -9.829 -9.156 18.724 1.00 62.53 O ATOM 598 CB ARG A 46 -12.099 -9.699 21.176 1.00 12.10 C ATOM 599 CG ARG A 46 -11.506 -8.340 21.510 1.00 22.13 C ATOM 600 CD ARG A 46 -12.534 -7.428 22.161 1.00 21.12 C ATOM 601 NE ARG A 46 -11.969 -6.675 23.278 1.00 62.23 N ATOM 602 CZ ARG A 46 -12.705 -6.047 24.188 1.00 23.20 C ATOM 603 NH1 ARG A 46 -14.028 -6.082 24.114 1.00 30.15 N ATOM 604 NH2 ARG A 46 -12.117 -5.383 25.175 1.00 41.11 N ATOM 0 H ARG A 46 -12.379 -12.062 20.533 1.00 52.04 H new ATOM 0 HA ARG A 46 -12.259 -9.684 19.033 1.00 34.51 H new ATOM 0 HB2 ARG A 46 -13.186 -9.634 21.227 1.00 12.10 H new ATOM 0 HB3 ARG A 46 -11.787 -10.418 21.933 1.00 12.10 H new ATOM 0 HG2 ARG A 46 -10.655 -8.468 22.180 1.00 22.13 H new ATOM 0 HG3 ARG A 46 -11.128 -7.873 20.600 1.00 22.13 H new ATOM 0 HD2 ARG A 46 -12.925 -6.734 21.417 1.00 21.12 H new ATOM 0 HD3 ARG A 46 -13.375 -8.024 22.514 1.00 21.12 H new ATOM 0 HE ARG A 46 -10.954 -6.629 23.364 1.00 62.23 H new ATOM 0 HH11 ARG A 46 -14.483 -6.592 23.357 1.00 30.15 H new ATOM 0 HH12 ARG A 46 -14.591 -5.599 24.814 1.00 30.15 H new ATOM 0 HH21 ARG A 46 -11.099 -5.355 25.235 1.00 41.11 H new ATOM 0 HH22 ARG A 46 -12.683 -4.901 25.873 1.00 41.11 H new ATOM 618 N ILE A 47 -9.371 -10.687 20.309 1.00 3.20 N ATOM 619 CA ILE A 47 -7.926 -10.545 20.182 1.00 24.33 C ATOM 620 C ILE A 47 -7.408 -11.275 18.947 1.00 1.14 C ATOM 621 O ILE A 47 -6.454 -10.833 18.306 1.00 23.14 O ATOM 622 CB ILE A 47 -7.196 -11.084 21.427 1.00 61.42 C ATOM 623 CG1 ILE A 47 -7.530 -12.562 21.641 1.00 71.13 C ATOM 624 CG2 ILE A 47 -7.570 -10.268 22.655 1.00 24.11 C ATOM 625 CD1 ILE A 47 -6.531 -13.505 21.007 1.00 35.33 C ATOM 0 H ILE A 47 -9.669 -11.368 21.008 1.00 3.20 H new ATOM 0 HA ILE A 47 -7.721 -9.479 20.083 1.00 24.33 H new ATOM 0 HB ILE A 47 -6.122 -10.993 21.268 1.00 61.42 H new ATOM 0 HG12 ILE A 47 -7.580 -12.764 22.711 1.00 71.13 H new ATOM 0 HG13 ILE A 47 -8.520 -12.765 21.232 1.00 71.13 H new ATOM 0 HG21 ILE A 47 -7.046 -10.661 23.526 1.00 24.11 H new ATOM 0 HG22 ILE A 47 -7.286 -9.227 22.500 1.00 24.11 H new ATOM 0 HG23 ILE A 47 -8.646 -10.330 22.820 1.00 24.11 H new ATOM 0 HD11 ILE A 47 -6.831 -14.535 21.199 1.00 35.33 H new ATOM 0 HD12 ILE A 47 -6.498 -13.331 19.932 1.00 35.33 H new ATOM 0 HD13 ILE A 47 -5.543 -13.329 21.433 1.00 35.33 H new ATOM 637 N HIS A 48 -8.045 -12.394 18.618 1.00 63.23 N ATOM 638 CA HIS A 48 -7.650 -13.185 17.457 1.00 12.22 C ATOM 639 C HIS A 48 -7.913 -12.419 16.164 1.00 63.43 C ATOM 640 O HIS A 48 -7.016 -12.252 15.338 1.00 53.15 O ATOM 641 CB HIS A 48 -8.405 -14.514 17.439 1.00 61.31 C ATOM 642 CG HIS A 48 -7.835 -15.539 18.370 1.00 31.44 C ATOM 643 ND1 HIS A 48 -8.617 -16.360 19.156 1.00 40.30 N ATOM 644 CD2 HIS A 48 -6.552 -15.876 18.638 1.00 22.04 C ATOM 645 CE1 HIS A 48 -7.839 -17.155 19.868 1.00 32.42 C ATOM 646 NE2 HIS A 48 -6.581 -16.882 19.572 1.00 32.33 N ATOM 0 H HIS A 48 -8.836 -12.774 19.138 1.00 63.23 H new ATOM 0 HA HIS A 48 -6.581 -13.384 17.530 1.00 12.22 H new ATOM 0 HB2 HIS A 48 -9.447 -14.334 17.704 1.00 61.31 H new ATOM 0 HB3 HIS A 48 -8.398 -14.913 16.425 1.00 61.31 H new ATOM 0 HD2 HIS A 48 -5.669 -15.435 18.199 1.00 22.04 H new ATOM 0 HE1 HIS A 48 -8.174 -17.902 20.573 1.00 32.42 H new ATOM 0 HE2 HIS A 48 -5.764 -17.343 19.972 1.00 32.33 H new ATOM 654 N ALA A 49 -9.148 -11.958 15.995 1.00 4.11 N ATOM 655 CA ALA A 49 -9.527 -11.210 14.803 1.00 14.43 C ATOM 656 C ALA A 49 -8.730 -9.915 14.691 1.00 44.15 C ATOM 657 O ALA A 49 -8.201 -9.589 13.627 1.00 34.31 O ATOM 658 CB ALA A 49 -11.020 -10.913 14.820 1.00 45.32 C ATOM 0 H ALA A 49 -9.903 -12.089 16.668 1.00 4.11 H new ATOM 0 HA ALA A 49 -9.299 -11.823 13.931 1.00 14.43 H new ATOM 0 HB1 ALA A 49 -11.290 -10.354 13.924 1.00 45.32 H new ATOM 0 HB2 ALA A 49 -11.577 -11.850 14.845 1.00 45.32 H new ATOM 0 HB3 ALA A 49 -11.263 -10.323 15.703 1.00 45.32 H new ATOM 664 N LYS A 50 -8.646 -9.179 15.794 1.00 54.24 N ATOM 665 CA LYS A 50 -7.913 -7.919 15.820 1.00 64.13 C ATOM 666 C LYS A 50 -6.449 -8.134 15.450 1.00 64.44 C ATOM 667 O LYS A 50 -5.935 -7.510 14.523 1.00 41.15 O ATOM 668 CB LYS A 50 -8.010 -7.277 17.205 1.00 32.04 C ATOM 669 CG LYS A 50 -7.615 -5.811 17.226 1.00 41.45 C ATOM 670 CD LYS A 50 -8.710 -4.930 16.647 1.00 45.03 C ATOM 671 CE LYS A 50 -9.930 -4.889 17.554 1.00 44.41 C ATOM 672 NZ LYS A 50 -10.098 -3.556 18.197 1.00 25.24 N ATOM 0 H LYS A 50 -9.077 -9.434 16.683 1.00 54.24 H new ATOM 0 HA LYS A 50 -8.362 -7.251 15.085 1.00 64.13 H new ATOM 0 HB2 LYS A 50 -9.032 -7.374 17.570 1.00 32.04 H new ATOM 0 HB3 LYS A 50 -7.371 -7.827 17.896 1.00 32.04 H new ATOM 0 HG2 LYS A 50 -7.404 -5.505 18.251 1.00 41.45 H new ATOM 0 HG3 LYS A 50 -6.696 -5.673 16.656 1.00 41.45 H new ATOM 0 HD2 LYS A 50 -8.328 -3.919 16.504 1.00 45.03 H new ATOM 0 HD3 LYS A 50 -8.998 -5.304 15.665 1.00 45.03 H new ATOM 0 HE2 LYS A 50 -10.822 -5.128 16.974 1.00 44.41 H new ATOM 0 HE3 LYS A 50 -9.836 -5.655 18.324 1.00 44.41 H new ATOM 0 HZ1 LYS A 50 -10.940 -3.569 18.807 1.00 25.24 H new ATOM 0 HZ2 LYS A 50 -9.258 -3.339 18.771 1.00 25.24 H new ATOM 0 HZ3 LYS A 50 -10.213 -2.828 17.463 1.00 25.24 H new ATOM 686 N ASN A 51 -5.783 -9.023 16.180 1.00 62.32 N ATOM 687 CA ASN A 51 -4.378 -9.321 15.927 1.00 62.50 C ATOM 688 C ASN A 51 -4.179 -9.840 14.506 1.00 42.21 C ATOM 689 O ASN A 51 -3.165 -9.558 13.867 1.00 40.41 O ATOM 690 CB ASN A 51 -3.864 -10.352 16.934 1.00 34.33 C ATOM 691 CG ASN A 51 -2.373 -10.596 16.803 1.00 75.42 C ATOM 692 OD1 ASN A 51 -1.925 -11.286 15.887 1.00 25.55 O ATOM 693 ND2 ASN A 51 -1.598 -10.030 17.720 1.00 12.21 N ATOM 0 H ASN A 51 -6.194 -9.549 16.951 1.00 62.32 H new ATOM 0 HA ASN A 51 -3.811 -8.397 16.041 1.00 62.50 H new ATOM 0 HB2 ASN A 51 -4.086 -10.010 17.945 1.00 34.33 H new ATOM 0 HB3 ASN A 51 -4.397 -11.292 16.791 1.00 34.33 H new ATOM 0 HD21 ASN A 51 -0.587 -10.159 17.683 1.00 12.21 H new ATOM 0 HD22 ASN A 51 -2.014 -9.466 18.461 1.00 12.21 H new ATOM 700 N PHE A 52 -5.154 -10.599 14.017 1.00 42.11 N ATOM 701 CA PHE A 52 -5.086 -11.157 12.671 1.00 32.35 C ATOM 702 C PHE A 52 -5.194 -10.057 11.620 1.00 41.11 C ATOM 703 O PHE A 52 -4.372 -9.974 10.708 1.00 51.12 O ATOM 704 CB PHE A 52 -6.201 -12.185 12.466 1.00 30.14 C ATOM 705 CG PHE A 52 -5.793 -13.589 12.812 1.00 14.33 C ATOM 706 CD1 PHE A 52 -5.045 -13.846 13.950 1.00 70.43 C ATOM 707 CD2 PHE A 52 -6.159 -14.650 12.001 1.00 61.44 C ATOM 708 CE1 PHE A 52 -4.668 -15.137 14.270 1.00 50.03 C ATOM 709 CE2 PHE A 52 -5.785 -15.943 12.316 1.00 71.21 C ATOM 710 CZ PHE A 52 -5.039 -16.187 13.453 1.00 55.24 C ATOM 0 H PHE A 52 -6.000 -10.842 14.532 1.00 42.11 H new ATOM 0 HA PHE A 52 -4.121 -11.650 12.557 1.00 32.35 H new ATOM 0 HB2 PHE A 52 -7.060 -11.904 13.076 1.00 30.14 H new ATOM 0 HB3 PHE A 52 -6.525 -12.155 11.426 1.00 30.14 H new ATOM 0 HD1 PHE A 52 -4.754 -13.029 14.594 1.00 70.43 H new ATOM 0 HD2 PHE A 52 -6.744 -14.465 11.112 1.00 61.44 H new ATOM 0 HE1 PHE A 52 -4.084 -15.324 15.159 1.00 50.03 H new ATOM 0 HE2 PHE A 52 -6.076 -16.761 11.674 1.00 71.21 H new ATOM 0 HZ PHE A 52 -4.747 -17.196 13.702 1.00 55.24 H new ATOM 720 N GLU A 53 -6.214 -9.215 11.755 1.00 3.12 N ATOM 721 CA GLU A 53 -6.430 -8.121 10.816 1.00 3.40 C ATOM 722 C GLU A 53 -5.167 -7.278 10.663 1.00 42.21 C ATOM 723 O GLU A 53 -4.800 -6.887 9.555 1.00 5.55 O ATOM 724 CB GLU A 53 -7.590 -7.240 11.283 1.00 14.32 C ATOM 725 CG GLU A 53 -7.524 -5.816 10.757 1.00 2.21 C ATOM 726 CD GLU A 53 -7.351 -5.757 9.252 1.00 61.52 C ATOM 727 OE1 GLU A 53 -7.655 -6.766 8.581 1.00 53.12 O ATOM 728 OE2 GLU A 53 -6.911 -4.704 8.745 1.00 73.41 O ATOM 0 H GLU A 53 -6.903 -9.270 12.505 1.00 3.12 H new ATOM 0 HA GLU A 53 -6.678 -8.552 9.846 1.00 3.40 H new ATOM 0 HB2 GLU A 53 -8.529 -7.692 10.965 1.00 14.32 H new ATOM 0 HB3 GLU A 53 -7.601 -7.216 12.373 1.00 14.32 H new ATOM 0 HG2 GLU A 53 -8.436 -5.287 11.035 1.00 2.21 H new ATOM 0 HG3 GLU A 53 -6.695 -5.294 11.235 1.00 2.21 H new ATOM 735 N ALA A 54 -4.507 -7.002 11.783 1.00 13.12 N ATOM 736 CA ALA A 54 -3.285 -6.207 11.774 1.00 33.33 C ATOM 737 C ALA A 54 -2.141 -6.967 11.111 1.00 55.43 C ATOM 738 O ALA A 54 -1.245 -6.365 10.520 1.00 21.12 O ATOM 739 CB ALA A 54 -2.904 -5.809 13.193 1.00 74.15 C ATOM 0 H ALA A 54 -4.798 -7.317 12.708 1.00 13.12 H new ATOM 0 HA ALA A 54 -3.472 -5.304 11.193 1.00 33.33 H new ATOM 0 HB1 ALA A 54 -1.990 -5.216 13.171 1.00 74.15 H new ATOM 0 HB2 ALA A 54 -3.708 -5.220 13.634 1.00 74.15 H new ATOM 0 HB3 ALA A 54 -2.741 -6.706 13.791 1.00 74.15 H new ATOM 745 N ALA A 55 -2.179 -8.291 11.213 1.00 60.25 N ATOM 746 CA ALA A 55 -1.146 -9.132 10.621 1.00 70.41 C ATOM 747 C ALA A 55 -1.338 -9.259 9.113 1.00 4.44 C ATOM 748 O ALA A 55 -0.399 -9.067 8.340 1.00 65.24 O ATOM 749 CB ALA A 55 -1.148 -10.507 11.272 1.00 31.42 C ATOM 0 H ALA A 55 -2.914 -8.804 11.700 1.00 60.25 H new ATOM 0 HA ALA A 55 -0.181 -8.658 10.799 1.00 70.41 H new ATOM 0 HB1 ALA A 55 -0.372 -11.125 10.820 1.00 31.42 H new ATOM 0 HB2 ALA A 55 -0.954 -10.404 12.340 1.00 31.42 H new ATOM 0 HB3 ALA A 55 -2.119 -10.979 11.123 1.00 31.42 H new ATOM 755 N LEU A 56 -2.559 -9.582 8.702 1.00 25.41 N ATOM 756 CA LEU A 56 -2.873 -9.735 7.286 1.00 74.12 C ATOM 757 C LEU A 56 -2.783 -8.396 6.561 1.00 74.34 C ATOM 758 O LEU A 56 -2.282 -8.318 5.439 1.00 63.41 O ATOM 759 CB LEU A 56 -4.273 -10.327 7.115 1.00 35.34 C ATOM 760 CG LEU A 56 -5.399 -9.617 7.869 1.00 61.23 C ATOM 761 CD1 LEU A 56 -6.053 -8.567 6.985 1.00 40.43 C ATOM 762 CD2 LEU A 56 -6.431 -10.623 8.358 1.00 42.13 C ATOM 0 H LEU A 56 -3.347 -9.743 9.329 1.00 25.41 H new ATOM 0 HA LEU A 56 -2.142 -10.415 6.848 1.00 74.12 H new ATOM 0 HB2 LEU A 56 -4.518 -10.328 6.053 1.00 35.34 H new ATOM 0 HB3 LEU A 56 -4.247 -11.368 7.437 1.00 35.34 H new ATOM 0 HG LEU A 56 -4.970 -9.116 8.737 1.00 61.23 H new ATOM 0 HD11 LEU A 56 -6.852 -8.072 7.538 1.00 40.43 H new ATOM 0 HD12 LEU A 56 -5.309 -7.830 6.685 1.00 40.43 H new ATOM 0 HD13 LEU A 56 -6.468 -9.046 6.098 1.00 40.43 H new ATOM 0 HD21 LEU A 56 -7.224 -10.100 8.892 1.00 42.13 H new ATOM 0 HD22 LEU A 56 -6.856 -11.152 7.505 1.00 42.13 H new ATOM 0 HD23 LEU A 56 -5.953 -11.338 9.028 1.00 42.13 H new ATOM 774 N PHE A 57 -3.271 -7.344 7.209 1.00 2.13 N ATOM 775 CA PHE A 57 -3.244 -6.007 6.627 1.00 74.22 C ATOM 776 C PHE A 57 -1.811 -5.507 6.479 1.00 45.30 C ATOM 777 O PHE A 57 -1.440 -4.947 5.447 1.00 33.42 O ATOM 778 CB PHE A 57 -4.049 -5.035 7.492 1.00 53.03 C ATOM 779 CG PHE A 57 -4.331 -3.723 6.816 1.00 62.52 C ATOM 780 CD1 PHE A 57 -3.311 -2.814 6.587 1.00 50.00 C ATOM 781 CD2 PHE A 57 -5.616 -3.400 6.410 1.00 65.01 C ATOM 782 CE1 PHE A 57 -3.567 -1.606 5.965 1.00 64.30 C ATOM 783 CE2 PHE A 57 -5.877 -2.194 5.787 1.00 30.31 C ATOM 784 CZ PHE A 57 -4.852 -1.296 5.565 1.00 4.25 C ATOM 0 H PHE A 57 -3.690 -7.391 8.138 1.00 2.13 H new ATOM 0 HA PHE A 57 -3.695 -6.060 5.636 1.00 74.22 H new ATOM 0 HB2 PHE A 57 -4.994 -5.503 7.767 1.00 53.03 H new ATOM 0 HB3 PHE A 57 -3.504 -4.848 8.417 1.00 53.03 H new ATOM 0 HD1 PHE A 57 -2.304 -3.052 6.898 1.00 50.00 H new ATOM 0 HD2 PHE A 57 -6.422 -4.098 6.582 1.00 65.01 H new ATOM 0 HE1 PHE A 57 -2.763 -0.906 5.792 1.00 64.30 H new ATOM 0 HE2 PHE A 57 -6.882 -1.954 5.474 1.00 30.31 H new ATOM 0 HZ PHE A 57 -5.055 -0.353 5.079 1.00 4.25 H new ATOM 794 N ALA A 58 -1.008 -5.712 7.519 1.00 54.34 N ATOM 795 CA ALA A 58 0.385 -5.283 7.505 1.00 73.11 C ATOM 796 C ALA A 58 1.217 -6.151 6.567 1.00 31.44 C ATOM 797 O ALA A 58 2.101 -5.657 5.867 1.00 32.12 O ATOM 798 CB ALA A 58 0.962 -5.319 8.912 1.00 32.02 C ATOM 0 H ALA A 58 -1.299 -6.172 8.381 1.00 54.34 H new ATOM 0 HA ALA A 58 0.421 -4.258 7.136 1.00 73.11 H new ATOM 0 HB1 ALA A 58 2.003 -4.996 8.887 1.00 32.02 H new ATOM 0 HB2 ALA A 58 0.391 -4.651 9.557 1.00 32.02 H new ATOM 0 HB3 ALA A 58 0.907 -6.335 9.302 1.00 32.02 H new ATOM 804 N LYS A 59 0.930 -7.449 6.559 1.00 14.40 N ATOM 805 CA LYS A 59 1.651 -8.387 5.707 1.00 34.03 C ATOM 806 C LYS A 59 1.047 -8.425 4.307 1.00 30.40 C ATOM 807 O LYS A 59 1.535 -9.137 3.430 1.00 64.24 O ATOM 808 CB LYS A 59 1.627 -9.788 6.323 1.00 42.02 C ATOM 809 CG LYS A 59 2.374 -9.885 7.642 1.00 63.43 C ATOM 810 CD LYS A 59 3.817 -9.430 7.500 1.00 11.44 C ATOM 811 CE LYS A 59 4.758 -10.296 8.324 1.00 41.53 C ATOM 812 NZ LYS A 59 5.845 -10.881 7.490 1.00 12.24 N ATOM 0 H LYS A 59 0.203 -7.875 7.133 1.00 14.40 H new ATOM 0 HA LYS A 59 2.684 -8.049 5.628 1.00 34.03 H new ATOM 0 HB2 LYS A 59 0.591 -10.090 6.479 1.00 42.02 H new ATOM 0 HB3 LYS A 59 2.062 -10.494 5.616 1.00 42.02 H new ATOM 0 HG2 LYS A 59 1.871 -9.274 8.392 1.00 63.43 H new ATOM 0 HG3 LYS A 59 2.350 -10.914 8.000 1.00 63.43 H new ATOM 0 HD2 LYS A 59 4.110 -9.469 6.451 1.00 11.44 H new ATOM 0 HD3 LYS A 59 3.905 -8.391 7.818 1.00 11.44 H new ATOM 0 HE2 LYS A 59 5.195 -9.698 9.124 1.00 41.53 H new ATOM 0 HE3 LYS A 59 4.192 -11.098 8.798 1.00 41.53 H new ATOM 0 HZ1 LYS A 59 6.465 -11.464 8.087 1.00 12.24 H new ATOM 0 HZ2 LYS A 59 5.429 -11.472 6.742 1.00 12.24 H new ATOM 0 HZ3 LYS A 59 6.401 -10.116 7.058 1.00 12.24 H new ATOM 826 N SER A 60 -0.017 -7.654 4.105 1.00 64.23 N ATOM 827 CA SER A 60 -0.688 -7.602 2.811 1.00 31.23 C ATOM 828 C SER A 60 0.109 -6.761 1.819 1.00 12.30 C ATOM 829 O SER A 60 0.607 -7.271 0.816 1.00 43.43 O ATOM 830 CB SER A 60 -2.098 -7.028 2.967 1.00 24.34 C ATOM 831 OG SER A 60 -2.409 -6.145 1.904 1.00 12.44 O ATOM 0 H SER A 60 -0.433 -7.057 4.820 1.00 64.23 H new ATOM 0 HA SER A 60 -0.758 -8.619 2.424 1.00 31.23 H new ATOM 0 HB2 SER A 60 -2.824 -7.841 2.993 1.00 24.34 H new ATOM 0 HB3 SER A 60 -2.176 -6.500 3.917 1.00 24.34 H new ATOM 0 HG SER A 60 -2.696 -6.662 1.123 1.00 12.44 H new ATOM 837 N SER A 61 0.224 -5.468 2.107 1.00 21.34 N ATOM 838 CA SER A 61 0.957 -4.554 1.239 1.00 13.24 C ATOM 839 C SER A 61 0.286 -4.448 -0.127 1.00 45.40 C ATOM 840 O SER A 61 0.885 -3.965 -1.089 1.00 21.55 O ATOM 841 CB SER A 61 2.404 -5.022 1.075 1.00 31.13 C ATOM 842 OG SER A 61 2.577 -5.725 -0.143 1.00 44.31 O ATOM 0 H SER A 61 -0.181 -5.030 2.934 1.00 21.34 H new ATOM 0 HA SER A 61 0.953 -3.568 1.704 1.00 13.24 H new ATOM 0 HB2 SER A 61 3.073 -4.162 1.100 1.00 31.13 H new ATOM 0 HB3 SER A 61 2.679 -5.664 1.912 1.00 31.13 H new ATOM 0 HG SER A 61 1.970 -6.494 -0.166 1.00 44.31 H new ATOM 848 N SER A 62 -0.960 -4.902 -0.205 1.00 13.15 N ATOM 849 CA SER A 62 -1.712 -4.862 -1.453 1.00 71.24 C ATOM 850 C SER A 62 -3.211 -4.964 -1.189 1.00 31.25 C ATOM 851 O SER A 62 -3.665 -5.833 -0.443 1.00 65.14 O ATOM 852 CB SER A 62 -1.267 -5.998 -2.377 1.00 55.22 C ATOM 853 OG SER A 62 -0.344 -5.534 -3.347 1.00 74.23 O ATOM 0 H SER A 62 -1.471 -5.302 0.582 1.00 13.15 H new ATOM 0 HA SER A 62 -1.511 -3.907 -1.939 1.00 71.24 H new ATOM 0 HB2 SER A 62 -0.811 -6.793 -1.787 1.00 55.22 H new ATOM 0 HB3 SER A 62 -2.136 -6.428 -2.874 1.00 55.22 H new ATOM 0 HG SER A 62 0.292 -4.920 -2.925 1.00 74.23 H new ATOM 859 N LYS A 63 -3.976 -4.070 -1.804 1.00 54.44 N ATOM 860 CA LYS A 63 -5.425 -4.057 -1.638 1.00 61.22 C ATOM 861 C LYS A 63 -6.016 -5.436 -1.912 1.00 61.45 C ATOM 862 O LYS A 63 -6.994 -5.840 -1.284 1.00 33.43 O ATOM 863 CB LYS A 63 -6.058 -3.024 -2.574 1.00 25.34 C ATOM 864 CG LYS A 63 -7.572 -3.113 -2.642 1.00 53.21 C ATOM 865 CD LYS A 63 -8.209 -2.827 -1.293 1.00 11.05 C ATOM 866 CE LYS A 63 -9.706 -2.590 -1.422 1.00 31.25 C ATOM 867 NZ LYS A 63 -10.496 -3.748 -0.919 1.00 71.32 N ATOM 0 H LYS A 63 -3.617 -3.343 -2.423 1.00 54.44 H new ATOM 0 HA LYS A 63 -5.645 -3.785 -0.606 1.00 61.22 H new ATOM 0 HB2 LYS A 63 -5.776 -2.025 -2.243 1.00 25.34 H new ATOM 0 HB3 LYS A 63 -5.649 -3.155 -3.576 1.00 25.34 H new ATOM 0 HG2 LYS A 63 -7.946 -2.403 -3.380 1.00 53.21 H new ATOM 0 HG3 LYS A 63 -7.864 -4.107 -2.980 1.00 53.21 H new ATOM 0 HD2 LYS A 63 -8.029 -3.665 -0.620 1.00 11.05 H new ATOM 0 HD3 LYS A 63 -7.738 -1.952 -0.845 1.00 11.05 H new ATOM 0 HE2 LYS A 63 -9.981 -1.694 -0.866 1.00 31.25 H new ATOM 0 HE3 LYS A 63 -9.956 -2.406 -2.467 1.00 31.25 H new ATOM 0 HZ1 LYS A 63 -11.479 -3.667 -1.248 1.00 71.32 H new ATOM 0 HZ2 LYS A 63 -10.083 -4.632 -1.278 1.00 71.32 H new ATOM 0 HZ3 LYS A 63 -10.479 -3.755 0.121 1.00 71.32 H new ATOM 881 N LYS A 64 -5.415 -6.156 -2.854 1.00 50.21 N ATOM 882 CA LYS A 64 -5.879 -7.491 -3.210 1.00 74.33 C ATOM 883 C LYS A 64 -5.450 -8.514 -2.163 1.00 41.03 C ATOM 884 O LYS A 64 -6.267 -9.289 -1.669 1.00 34.24 O ATOM 885 CB LYS A 64 -5.337 -7.893 -4.584 1.00 5.13 C ATOM 886 CG LYS A 64 -5.761 -6.958 -5.703 1.00 35.12 C ATOM 887 CD LYS A 64 -4.581 -6.177 -6.255 1.00 12.51 C ATOM 888 CE LYS A 64 -4.003 -6.842 -7.495 1.00 0.25 C ATOM 889 NZ LYS A 64 -2.868 -6.063 -8.063 1.00 71.45 N ATOM 0 H LYS A 64 -4.605 -5.836 -3.385 1.00 50.21 H new ATOM 0 HA LYS A 64 -6.968 -7.471 -3.248 1.00 74.33 H new ATOM 0 HB2 LYS A 64 -4.248 -7.924 -4.541 1.00 5.13 H new ATOM 0 HB3 LYS A 64 -5.676 -8.902 -4.818 1.00 5.13 H new ATOM 0 HG2 LYS A 64 -6.224 -7.534 -6.504 1.00 35.12 H new ATOM 0 HG3 LYS A 64 -6.516 -6.265 -5.332 1.00 35.12 H new ATOM 0 HD2 LYS A 64 -4.897 -5.163 -6.499 1.00 12.51 H new ATOM 0 HD3 LYS A 64 -3.808 -6.095 -5.491 1.00 12.51 H new ATOM 0 HE2 LYS A 64 -3.664 -7.847 -7.244 1.00 0.25 H new ATOM 0 HE3 LYS A 64 -4.784 -6.948 -8.248 1.00 0.25 H new ATOM 0 HZ1 LYS A 64 -2.501 -6.548 -8.907 1.00 71.45 H new ATOM 0 HZ2 LYS A 64 -3.197 -5.112 -8.326 1.00 71.45 H new ATOM 0 HZ3 LYS A 64 -2.112 -5.984 -7.353 1.00 71.45 H new ATOM 903 N GLU A 65 -4.163 -8.508 -1.830 1.00 20.31 N ATOM 904 CA GLU A 65 -3.627 -9.436 -0.841 1.00 3.23 C ATOM 905 C GLU A 65 -4.322 -9.257 0.506 1.00 4.40 C ATOM 906 O GLU A 65 -4.449 -10.204 1.282 1.00 60.11 O ATOM 907 CB GLU A 65 -2.119 -9.230 -0.680 1.00 40.25 C ATOM 908 CG GLU A 65 -1.471 -10.205 0.288 1.00 61.02 C ATOM 909 CD GLU A 65 -1.138 -11.535 -0.360 1.00 25.14 C ATOM 910 OE1 GLU A 65 -1.060 -11.585 -1.605 1.00 42.12 O ATOM 911 OE2 GLU A 65 -0.955 -12.526 0.378 1.00 3.43 O ATOM 0 H GLU A 65 -3.473 -7.872 -2.230 1.00 20.31 H new ATOM 0 HA GLU A 65 -3.812 -10.450 -1.194 1.00 3.23 H new ATOM 0 HB2 GLU A 65 -1.641 -9.328 -1.655 1.00 40.25 H new ATOM 0 HB3 GLU A 65 -1.935 -8.212 -0.335 1.00 40.25 H new ATOM 0 HG2 GLU A 65 -0.559 -9.762 0.689 1.00 61.02 H new ATOM 0 HG3 GLU A 65 -2.141 -10.373 1.131 1.00 61.02 H new ATOM 918 N TYR A 66 -4.768 -8.035 0.776 1.00 33.35 N ATOM 919 CA TYR A 66 -5.447 -7.730 2.030 1.00 35.11 C ATOM 920 C TYR A 66 -6.861 -8.304 2.038 1.00 70.13 C ATOM 921 O TYR A 66 -7.217 -9.095 2.911 1.00 40.22 O ATOM 922 CB TYR A 66 -5.498 -6.218 2.252 1.00 51.51 C ATOM 923 CG TYR A 66 -6.573 -5.783 3.223 1.00 71.55 C ATOM 924 CD1 TYR A 66 -6.701 -6.391 4.465 1.00 35.23 C ATOM 925 CD2 TYR A 66 -7.460 -4.765 2.897 1.00 51.32 C ATOM 926 CE1 TYR A 66 -7.683 -5.998 5.355 1.00 63.24 C ATOM 927 CE2 TYR A 66 -8.444 -4.364 3.781 1.00 64.15 C ATOM 928 CZ TYR A 66 -8.551 -4.984 5.008 1.00 71.32 C ATOM 929 OH TYR A 66 -9.529 -4.589 5.892 1.00 51.04 O ATOM 0 H TYR A 66 -4.672 -7.240 0.144 1.00 33.35 H new ATOM 0 HA TYR A 66 -4.882 -8.191 2.840 1.00 35.11 H new ATOM 0 HB2 TYR A 66 -4.529 -5.881 2.621 1.00 51.51 H new ATOM 0 HB3 TYR A 66 -5.664 -5.724 1.295 1.00 51.51 H new ATOM 0 HD1 TYR A 66 -6.022 -7.184 4.740 1.00 35.23 H new ATOM 0 HD2 TYR A 66 -7.379 -4.278 1.936 1.00 51.32 H new ATOM 0 HE1 TYR A 66 -7.770 -6.482 6.316 1.00 63.24 H new ATOM 0 HE2 TYR A 66 -9.125 -3.570 3.512 1.00 64.15 H new ATOM 0 HH TYR A 66 -10.264 -4.168 5.400 1.00 51.04 H new ATOM 939 N MET A 67 -7.662 -7.900 1.057 1.00 0.22 N ATOM 940 CA MET A 67 -9.037 -8.375 0.949 1.00 45.31 C ATOM 941 C MET A 67 -9.075 -9.887 0.754 1.00 34.13 C ATOM 942 O MET A 67 -9.898 -10.579 1.354 1.00 15.43 O ATOM 943 CB MET A 67 -9.748 -7.681 -0.214 1.00 14.31 C ATOM 944 CG MET A 67 -9.101 -7.940 -1.565 1.00 3.35 C ATOM 945 SD MET A 67 -9.634 -6.768 -2.827 1.00 13.02 S ATOM 946 CE MET A 67 -9.370 -7.729 -4.315 1.00 25.33 C ATOM 0 H MET A 67 -7.383 -7.245 0.326 1.00 0.22 H new ATOM 0 HA MET A 67 -9.554 -8.133 1.878 1.00 45.31 H new ATOM 0 HB2 MET A 67 -10.785 -8.016 -0.247 1.00 14.31 H new ATOM 0 HB3 MET A 67 -9.766 -6.607 -0.029 1.00 14.31 H new ATOM 0 HG2 MET A 67 -8.017 -7.887 -1.460 1.00 3.35 H new ATOM 0 HG3 MET A 67 -9.341 -8.952 -1.890 1.00 3.35 H new ATOM 0 HE1 MET A 67 -8.878 -7.110 -5.065 1.00 25.33 H new ATOM 0 HE2 MET A 67 -8.741 -8.590 -4.086 1.00 25.33 H new ATOM 0 HE3 MET A 67 -10.330 -8.073 -4.701 1.00 25.33 H new ATOM 956 N ASP A 68 -8.181 -10.394 -0.087 1.00 53.15 N ATOM 957 CA ASP A 68 -8.113 -11.825 -0.360 1.00 52.23 C ATOM 958 C ASP A 68 -7.724 -12.599 0.895 1.00 73.50 C ATOM 959 O ASP A 68 -8.108 -13.756 1.066 1.00 33.43 O ATOM 960 CB ASP A 68 -7.109 -12.105 -1.479 1.00 62.02 C ATOM 961 CG ASP A 68 -7.278 -13.488 -2.076 1.00 73.14 C ATOM 962 OD1 ASP A 68 -8.435 -13.897 -2.307 1.00 15.42 O ATOM 963 OD2 ASP A 68 -6.254 -14.163 -2.313 1.00 2.54 O ATOM 0 H ASP A 68 -7.493 -9.835 -0.592 1.00 53.15 H new ATOM 0 HA ASP A 68 -9.101 -12.157 -0.678 1.00 52.23 H new ATOM 0 HB2 ASP A 68 -7.226 -11.357 -2.263 1.00 62.02 H new ATOM 0 HB3 ASP A 68 -6.096 -12.002 -1.089 1.00 62.02 H new ATOM 968 N SER A 69 -6.959 -11.954 1.769 1.00 12.14 N ATOM 969 CA SER A 69 -6.514 -12.584 3.007 1.00 40.21 C ATOM 970 C SER A 69 -7.680 -12.766 3.974 1.00 41.40 C ATOM 971 O SER A 69 -7.969 -13.879 4.412 1.00 12.51 O ATOM 972 CB SER A 69 -5.417 -11.745 3.665 1.00 42.01 C ATOM 973 OG SER A 69 -5.057 -12.277 4.928 1.00 1.42 O ATOM 0 H SER A 69 -6.634 -10.995 1.643 1.00 12.14 H new ATOM 0 HA SER A 69 -6.112 -13.567 2.761 1.00 40.21 H new ATOM 0 HB2 SER A 69 -4.541 -11.713 3.017 1.00 42.01 H new ATOM 0 HB3 SER A 69 -5.762 -10.718 3.784 1.00 42.01 H new ATOM 0 HG SER A 69 -4.085 -12.220 5.042 1.00 1.42 H new ATOM 979 N MET A 70 -8.345 -11.663 4.302 1.00 34.03 N ATOM 980 CA MET A 70 -9.481 -11.700 5.217 1.00 61.03 C ATOM 981 C MET A 70 -10.648 -12.468 4.604 1.00 43.24 C ATOM 982 O MET A 70 -11.312 -13.251 5.281 1.00 3.13 O ATOM 983 CB MET A 70 -9.922 -10.279 5.574 1.00 24.33 C ATOM 984 CG MET A 70 -10.236 -9.417 4.362 1.00 30.43 C ATOM 985 SD MET A 70 -12.006 -9.282 4.047 1.00 51.13 S ATOM 986 CE MET A 70 -12.108 -7.615 3.399 1.00 62.34 C ATOM 0 H MET A 70 -8.118 -10.734 3.949 1.00 34.03 H new ATOM 0 HA MET A 70 -9.167 -12.215 6.125 1.00 61.03 H new ATOM 0 HB2 MET A 70 -10.805 -10.331 6.211 1.00 24.33 H new ATOM 0 HB3 MET A 70 -9.136 -9.799 6.157 1.00 24.33 H new ATOM 0 HG2 MET A 70 -9.820 -8.421 4.512 1.00 30.43 H new ATOM 0 HG3 MET A 70 -9.746 -9.838 3.484 1.00 30.43 H new ATOM 0 HE1 MET A 70 -12.947 -7.096 3.861 1.00 62.34 H new ATOM 0 HE2 MET A 70 -11.184 -7.081 3.621 1.00 62.34 H new ATOM 0 HE3 MET A 70 -12.255 -7.653 2.320 1.00 62.34 H new ATOM 996 N ASN A 71 -10.892 -12.237 3.318 1.00 63.24 N ATOM 997 CA ASN A 71 -11.979 -12.907 2.614 1.00 54.11 C ATOM 998 C ASN A 71 -11.792 -14.421 2.637 1.00 2.25 C ATOM 999 O ASN A 71 -12.763 -15.176 2.631 1.00 71.22 O ATOM 1000 CB ASN A 71 -12.059 -12.414 1.168 1.00 62.13 C ATOM 1001 CG ASN A 71 -13.029 -13.227 0.332 1.00 22.12 C ATOM 1002 OD1 ASN A 71 -14.223 -12.930 0.282 1.00 25.24 O ATOM 1003 ND2 ASN A 71 -12.519 -14.260 -0.329 1.00 4.41 N ATOM 0 H ASN A 71 -10.352 -11.591 2.743 1.00 63.24 H new ATOM 0 HA ASN A 71 -12.911 -12.666 3.125 1.00 54.11 H new ATOM 0 HB2 ASN A 71 -12.365 -11.368 1.160 1.00 62.13 H new ATOM 0 HB3 ASN A 71 -11.068 -12.459 0.716 1.00 62.13 H new ATOM 0 HD21 ASN A 71 -13.123 -14.844 -0.907 1.00 4.41 H new ATOM 0 HD22 ASN A 71 -11.523 -14.469 -0.258 1.00 4.41 H new ATOM 1010 N GLU A 72 -10.536 -14.856 2.666 1.00 41.23 N ATOM 1011 CA GLU A 72 -10.222 -16.279 2.690 1.00 24.41 C ATOM 1012 C GLU A 72 -10.416 -16.856 4.090 1.00 54.34 C ATOM 1013 O GLU A 72 -10.878 -17.986 4.250 1.00 54.32 O ATOM 1014 CB GLU A 72 -8.783 -16.515 2.225 1.00 2.25 C ATOM 1015 CG GLU A 72 -8.325 -17.956 2.370 1.00 24.31 C ATOM 1016 CD GLU A 72 -7.437 -18.404 1.225 1.00 4.23 C ATOM 1017 OE1 GLU A 72 -6.809 -17.533 0.587 1.00 52.14 O ATOM 1018 OE2 GLU A 72 -7.369 -19.624 0.968 1.00 50.31 O ATOM 0 H GLU A 72 -9.720 -14.244 2.673 1.00 41.23 H new ATOM 0 HA GLU A 72 -10.905 -16.786 2.008 1.00 24.41 H new ATOM 0 HB2 GLU A 72 -8.695 -16.218 1.180 1.00 2.25 H new ATOM 0 HB3 GLU A 72 -8.115 -15.871 2.797 1.00 2.25 H new ATOM 0 HG2 GLU A 72 -7.784 -18.069 3.310 1.00 24.31 H new ATOM 0 HG3 GLU A 72 -9.198 -18.607 2.424 1.00 24.31 H new ATOM 1025 N LYS A 73 -10.060 -16.071 5.101 1.00 52.01 N ATOM 1026 CA LYS A 73 -10.195 -16.501 6.488 1.00 54.53 C ATOM 1027 C LYS A 73 -11.663 -16.546 6.903 1.00 44.23 C ATOM 1028 O LYS A 73 -12.081 -17.436 7.643 1.00 14.43 O ATOM 1029 CB LYS A 73 -9.422 -15.558 7.413 1.00 63.42 C ATOM 1030 CG LYS A 73 -7.999 -16.011 7.690 1.00 64.22 C ATOM 1031 CD LYS A 73 -6.983 -14.999 7.187 1.00 53.31 C ATOM 1032 CE LYS A 73 -5.783 -14.904 8.117 1.00 53.34 C ATOM 1033 NZ LYS A 73 -5.079 -16.209 8.249 1.00 73.33 N ATOM 0 H LYS A 73 -9.676 -15.133 4.986 1.00 52.01 H new ATOM 0 HA LYS A 73 -9.780 -17.505 6.573 1.00 54.53 H new ATOM 0 HB2 LYS A 73 -9.398 -14.564 6.967 1.00 63.42 H new ATOM 0 HB3 LYS A 73 -9.957 -15.470 8.358 1.00 63.42 H new ATOM 0 HG2 LYS A 73 -7.866 -16.160 8.762 1.00 64.22 H new ATOM 0 HG3 LYS A 73 -7.823 -16.974 7.210 1.00 64.22 H new ATOM 0 HD2 LYS A 73 -6.649 -15.282 6.189 1.00 53.31 H new ATOM 0 HD3 LYS A 73 -7.455 -14.020 7.100 1.00 53.31 H new ATOM 0 HE2 LYS A 73 -5.089 -14.154 7.739 1.00 53.34 H new ATOM 0 HE3 LYS A 73 -6.111 -14.567 9.100 1.00 53.34 H new ATOM 0 HZ1 LYS A 73 -4.203 -16.077 8.793 1.00 73.33 H new ATOM 0 HZ2 LYS A 73 -5.694 -16.887 8.742 1.00 73.33 H new ATOM 0 HZ3 LYS A 73 -4.847 -16.576 7.304 1.00 73.33 H new ATOM 1047 N VAL A 74 -12.440 -15.582 6.419 1.00 4.45 N ATOM 1048 CA VAL A 74 -13.861 -15.513 6.738 1.00 23.22 C ATOM 1049 C VAL A 74 -14.657 -16.524 5.920 1.00 24.24 C ATOM 1050 O VAL A 74 -15.622 -17.110 6.409 1.00 74.15 O ATOM 1051 CB VAL A 74 -14.426 -14.104 6.482 1.00 11.54 C ATOM 1052 CG1 VAL A 74 -13.749 -13.085 7.387 1.00 55.54 C ATOM 1053 CG2 VAL A 74 -14.263 -13.722 5.019 1.00 44.20 C ATOM 0 H VAL A 74 -12.109 -14.838 5.805 1.00 4.45 H new ATOM 0 HA VAL A 74 -13.959 -15.749 7.798 1.00 23.22 H new ATOM 0 HB VAL A 74 -15.491 -14.110 6.715 1.00 11.54 H new ATOM 0 HG11 VAL A 74 -14.161 -12.095 7.192 1.00 55.54 H new ATOM 0 HG12 VAL A 74 -13.923 -13.352 8.429 1.00 55.54 H new ATOM 0 HG13 VAL A 74 -12.677 -13.078 7.189 1.00 55.54 H new ATOM 0 HG21 VAL A 74 -14.668 -12.723 4.856 1.00 44.20 H new ATOM 0 HG22 VAL A 74 -13.205 -13.732 4.756 1.00 44.20 H new ATOM 0 HG23 VAL A 74 -14.799 -14.437 4.394 1.00 44.20 H new ATOM 1063 N ALA A 75 -14.244 -16.724 4.673 1.00 41.01 N ATOM 1064 CA ALA A 75 -14.917 -17.666 3.787 1.00 23.24 C ATOM 1065 C ALA A 75 -14.761 -19.098 4.289 1.00 40.11 C ATOM 1066 O ALA A 75 -15.694 -19.898 4.213 1.00 44.02 O ATOM 1067 CB ALA A 75 -14.375 -17.539 2.371 1.00 4.05 C ATOM 0 H ALA A 75 -13.446 -16.246 4.253 1.00 41.01 H new ATOM 0 HA ALA A 75 -15.980 -17.424 3.780 1.00 23.24 H new ATOM 0 HB1 ALA A 75 -14.887 -18.248 1.721 1.00 4.05 H new ATOM 0 HB2 ALA A 75 -14.543 -16.526 2.006 1.00 4.05 H new ATOM 0 HB3 ALA A 75 -13.306 -17.752 2.370 1.00 4.05 H new ATOM 1073 N VAL A 76 -13.576 -19.415 4.801 1.00 31.11 N ATOM 1074 CA VAL A 76 -13.298 -20.751 5.316 1.00 53.34 C ATOM 1075 C VAL A 76 -13.935 -20.955 6.686 1.00 61.33 C ATOM 1076 O VAL A 76 -14.511 -22.007 6.963 1.00 45.00 O ATOM 1077 CB VAL A 76 -11.783 -21.007 5.422 1.00 34.40 C ATOM 1078 CG1 VAL A 76 -11.144 -20.033 6.399 1.00 2.31 C ATOM 1079 CG2 VAL A 76 -11.515 -22.446 5.838 1.00 11.34 C ATOM 0 H VAL A 76 -12.793 -18.765 4.870 1.00 31.11 H new ATOM 0 HA VAL A 76 -13.730 -21.460 4.609 1.00 53.34 H new ATOM 0 HB VAL A 76 -11.335 -20.846 4.441 1.00 34.40 H new ATOM 0 HG11 VAL A 76 -10.074 -20.229 6.461 1.00 2.31 H new ATOM 0 HG12 VAL A 76 -11.306 -19.012 6.054 1.00 2.31 H new ATOM 0 HG13 VAL A 76 -11.593 -20.159 7.384 1.00 2.31 H new ATOM 0 HG21 VAL A 76 -10.440 -22.610 5.908 1.00 11.34 H new ATOM 0 HG22 VAL A 76 -11.975 -22.636 6.808 1.00 11.34 H new ATOM 0 HG23 VAL A 76 -11.938 -23.124 5.097 1.00 11.34 H new ATOM 1089 N MET A 77 -13.827 -19.942 7.539 1.00 35.21 N ATOM 1090 CA MET A 77 -14.395 -20.010 8.881 1.00 64.41 C ATOM 1091 C MET A 77 -15.919 -20.033 8.826 1.00 22.14 C ATOM 1092 O MET A 77 -16.556 -20.918 9.398 1.00 15.41 O ATOM 1093 CB MET A 77 -13.920 -18.822 9.719 1.00 13.23 C ATOM 1094 CG MET A 77 -12.487 -18.955 10.207 1.00 64.45 C ATOM 1095 SD MET A 77 -12.282 -20.287 11.405 1.00 4.21 S ATOM 1096 CE MET A 77 -10.557 -20.701 11.159 1.00 5.03 C ATOM 0 H MET A 77 -13.352 -19.065 7.326 1.00 35.21 H new ATOM 0 HA MET A 77 -14.053 -20.934 9.347 1.00 64.41 H new ATOM 0 HB2 MET A 77 -14.010 -17.911 9.127 1.00 13.23 H new ATOM 0 HB3 MET A 77 -14.579 -18.709 10.580 1.00 13.23 H new ATOM 0 HG2 MET A 77 -11.832 -19.134 9.354 1.00 64.45 H new ATOM 0 HG3 MET A 77 -12.172 -18.014 10.658 1.00 64.45 H new ATOM 0 HE1 MET A 77 -10.278 -21.512 11.831 1.00 5.03 H new ATOM 0 HE2 MET A 77 -10.402 -21.015 10.127 1.00 5.03 H new ATOM 0 HE3 MET A 77 -9.940 -19.827 11.369 1.00 5.03 H new ATOM 1106 N ARG A 78 -16.496 -19.055 8.136 1.00 75.51 N ATOM 1107 CA ARG A 78 -17.946 -18.963 8.009 1.00 61.23 C ATOM 1108 C ARG A 78 -18.513 -20.210 7.335 1.00 0.44 C ATOM 1109 O ARG A 78 -19.597 -20.675 7.683 1.00 73.44 O ATOM 1110 CB ARG A 78 -18.331 -17.718 7.207 1.00 24.05 C ATOM 1111 CG ARG A 78 -19.750 -17.240 7.469 1.00 64.24 C ATOM 1112 CD ARG A 78 -20.154 -16.140 6.499 1.00 33.44 C ATOM 1113 NE ARG A 78 -21.577 -16.195 6.173 1.00 44.14 N ATOM 1114 CZ ARG A 78 -22.145 -15.445 5.235 1.00 5.40 C ATOM 1115 NH1 ARG A 78 -21.415 -14.587 4.535 1.00 25.20 N ATOM 1116 NH2 ARG A 78 -23.445 -15.551 4.996 1.00 73.53 N ATOM 0 H ARG A 78 -15.982 -18.316 7.657 1.00 75.51 H new ATOM 0 HA ARG A 78 -18.369 -18.887 9.011 1.00 61.23 H new ATOM 0 HB2 ARG A 78 -17.636 -16.913 7.445 1.00 24.05 H new ATOM 0 HB3 ARG A 78 -18.219 -17.932 6.144 1.00 24.05 H new ATOM 0 HG2 ARG A 78 -20.440 -18.079 7.378 1.00 64.24 H new ATOM 0 HG3 ARG A 78 -19.828 -16.872 8.492 1.00 64.24 H new ATOM 0 HD2 ARG A 78 -19.919 -15.169 6.934 1.00 33.44 H new ATOM 0 HD3 ARG A 78 -19.568 -16.230 5.584 1.00 33.44 H new ATOM 0 HE ARG A 78 -22.166 -16.844 6.694 1.00 44.14 H new ATOM 0 HH11 ARG A 78 -20.415 -14.502 4.716 1.00 25.20 H new ATOM 0 HH12 ARG A 78 -21.854 -14.012 3.815 1.00 25.20 H new ATOM 0 HH21 ARG A 78 -24.010 -16.209 5.533 1.00 73.53 H new ATOM 0 HH22 ARG A 78 -23.880 -14.975 4.276 1.00 73.53 H new ATOM 1130 N ASN A 79 -17.772 -20.744 6.370 1.00 4.24 N ATOM 1131 CA ASN A 79 -18.201 -21.935 5.648 1.00 60.55 C ATOM 1132 C ASN A 79 -18.335 -23.126 6.592 1.00 10.12 C ATOM 1133 O ASN A 79 -19.395 -23.746 6.681 1.00 31.44 O ATOM 1134 CB ASN A 79 -17.208 -22.265 4.531 1.00 73.41 C ATOM 1135 CG ASN A 79 -17.362 -23.686 4.022 1.00 2.30 C ATOM 1136 OD1 ASN A 79 -18.426 -24.072 3.538 1.00 1.02 O ATOM 1137 ND2 ASN A 79 -16.296 -24.471 4.130 1.00 52.14 N ATOM 0 H ASN A 79 -16.871 -20.370 6.070 1.00 4.24 H new ATOM 0 HA ASN A 79 -19.178 -21.731 5.209 1.00 60.55 H new ATOM 0 HB2 ASN A 79 -17.350 -21.568 3.705 1.00 73.41 H new ATOM 0 HB3 ASN A 79 -16.192 -22.121 4.898 1.00 73.41 H new ATOM 0 HD21 ASN A 79 -16.339 -25.437 3.805 1.00 52.14 H new ATOM 0 HD22 ASN A 79 -15.435 -24.108 4.538 1.00 52.14 H new ATOM 1144 N THR A 80 -17.253 -23.440 7.297 1.00 5.14 N ATOM 1145 CA THR A 80 -17.248 -24.556 8.235 1.00 12.40 C ATOM 1146 C THR A 80 -18.345 -24.398 9.282 1.00 5.13 C ATOM 1147 O THR A 80 -18.796 -25.378 9.875 1.00 70.21 O ATOM 1148 CB THR A 80 -15.889 -24.686 8.947 1.00 5.42 C ATOM 1149 OG1 THR A 80 -15.587 -26.066 9.179 1.00 20.10 O ATOM 1150 CG2 THR A 80 -15.896 -23.934 10.270 1.00 53.13 C ATOM 0 H THR A 80 -16.368 -22.937 7.236 1.00 5.14 H new ATOM 0 HA THR A 80 -17.432 -25.459 7.653 1.00 12.40 H new ATOM 0 HB THR A 80 -15.124 -24.250 8.304 1.00 5.42 H new ATOM 0 HG1 THR A 80 -14.720 -26.140 9.631 1.00 20.10 H new ATOM 0 HG21 THR A 80 -14.925 -24.041 10.754 1.00 53.13 H new ATOM 0 HG22 THR A 80 -16.096 -22.878 10.087 1.00 53.13 H new ATOM 0 HG23 THR A 80 -16.671 -24.344 10.917 1.00 53.13 H new ATOM 1158 N TYR A 81 -18.769 -23.159 9.505 1.00 32.23 N ATOM 1159 CA TYR A 81 -19.812 -22.873 10.483 1.00 34.31 C ATOM 1160 C TYR A 81 -21.181 -23.299 9.960 1.00 1.11 C ATOM 1161 O TYR A 81 -21.945 -23.964 10.658 1.00 11.41 O ATOM 1162 CB TYR A 81 -19.826 -21.382 10.825 1.00 63.34 C ATOM 1163 CG TYR A 81 -21.190 -20.864 11.220 1.00 2.11 C ATOM 1164 CD1 TYR A 81 -21.666 -21.024 12.516 1.00 55.35 C ATOM 1165 CD2 TYR A 81 -22.002 -20.215 10.299 1.00 74.24 C ATOM 1166 CE1 TYR A 81 -22.913 -20.552 12.881 1.00 25.34 C ATOM 1167 CE2 TYR A 81 -23.249 -19.739 10.656 1.00 70.31 C ATOM 1168 CZ TYR A 81 -23.700 -19.910 11.948 1.00 23.53 C ATOM 1169 OH TYR A 81 -24.942 -19.439 12.308 1.00 65.12 O ATOM 0 H TYR A 81 -18.407 -22.337 9.022 1.00 32.23 H new ATOM 0 HA TYR A 81 -19.594 -23.444 11.386 1.00 34.31 H new ATOM 0 HB2 TYR A 81 -19.127 -21.198 11.641 1.00 63.34 H new ATOM 0 HB3 TYR A 81 -19.467 -20.817 9.965 1.00 63.34 H new ATOM 0 HD1 TYR A 81 -21.052 -21.525 13.250 1.00 55.35 H new ATOM 0 HD2 TYR A 81 -21.653 -20.080 9.286 1.00 74.24 H new ATOM 0 HE1 TYR A 81 -23.269 -20.685 13.892 1.00 25.34 H new ATOM 0 HE2 TYR A 81 -23.867 -19.236 9.927 1.00 70.31 H new ATOM 0 HH TYR A 81 -25.366 -19.012 11.535 1.00 65.12 H new ATOM 1179 N ASN A 82 -21.482 -22.910 8.725 1.00 30.42 N ATOM 1180 CA ASN A 82 -22.758 -23.251 8.107 1.00 70.14 C ATOM 1181 C ASN A 82 -22.822 -24.739 7.774 1.00 4.25 C ATOM 1182 O ASN A 82 -23.904 -25.315 7.656 1.00 3.14 O ATOM 1183 CB ASN A 82 -22.970 -22.424 6.837 1.00 61.11 C ATOM 1184 CG ASN A 82 -24.134 -22.928 6.006 1.00 30.30 C ATOM 1185 OD1 ASN A 82 -24.048 -23.979 5.371 1.00 74.33 O ATOM 1186 ND2 ASN A 82 -25.230 -22.178 6.007 1.00 30.51 N ATOM 0 H ASN A 82 -20.860 -22.359 8.133 1.00 30.42 H new ATOM 0 HA ASN A 82 -23.551 -23.022 8.819 1.00 70.14 H new ATOM 0 HB2 ASN A 82 -23.146 -21.383 7.110 1.00 61.11 H new ATOM 0 HB3 ASN A 82 -22.061 -22.447 6.236 1.00 61.11 H new ATOM 0 HD21 ASN A 82 -26.046 -22.466 5.466 1.00 30.51 H new ATOM 0 HD22 ASN A 82 -25.256 -21.314 6.548 1.00 30.51 H new ATOM 1193 N THR A 83 -21.654 -25.357 7.625 1.00 1.22 N ATOM 1194 CA THR A 83 -21.576 -26.777 7.306 1.00 0.34 C ATOM 1195 C THR A 83 -21.741 -27.631 8.558 1.00 22.10 C ATOM 1196 O THR A 83 -22.489 -28.609 8.560 1.00 51.35 O ATOM 1197 CB THR A 83 -20.237 -27.128 6.631 1.00 23.24 C ATOM 1198 OG1 THR A 83 -20.407 -27.197 5.211 1.00 32.33 O ATOM 1199 CG2 THR A 83 -19.702 -28.455 7.148 1.00 31.32 C ATOM 0 H THR A 83 -20.749 -24.896 7.720 1.00 1.22 H new ATOM 0 HA THR A 83 -22.390 -26.991 6.614 1.00 0.34 H new ATOM 0 HB THR A 83 -19.518 -26.345 6.872 1.00 23.24 H new ATOM 0 HG1 THR A 83 -19.551 -27.419 4.789 1.00 32.33 H new ATOM 0 HG21 THR A 83 -18.756 -28.682 6.657 1.00 31.32 H new ATOM 0 HG22 THR A 83 -19.546 -28.390 8.225 1.00 31.32 H new ATOM 0 HG23 THR A 83 -20.421 -29.246 6.933 1.00 31.32 H new ATOM 1207 N ARG A 84 -21.038 -27.256 9.622 1.00 50.12 N ATOM 1208 CA ARG A 84 -21.107 -27.989 10.880 1.00 4.11 C ATOM 1209 C ARG A 84 -22.500 -27.887 11.494 1.00 50.24 C ATOM 1210 O ARG A 84 -22.968 -28.813 12.156 1.00 12.23 O ATOM 1211 CB ARG A 84 -20.064 -27.454 11.864 1.00 72.21 C ATOM 1212 CG ARG A 84 -18.751 -28.219 11.835 1.00 1.20 C ATOM 1213 CD ARG A 84 -17.930 -27.963 13.089 1.00 45.31 C ATOM 1214 NE ARG A 84 -16.509 -28.229 12.877 1.00 53.54 N ATOM 1215 CZ ARG A 84 -15.562 -27.903 13.749 1.00 32.34 C ATOM 1216 NH1 ARG A 84 -15.883 -27.304 14.888 1.00 42.22 N ATOM 1217 NH2 ARG A 84 -14.291 -28.178 13.485 1.00 74.34 N ATOM 0 H ARG A 84 -20.414 -26.449 9.638 1.00 50.12 H new ATOM 0 HA ARG A 84 -20.897 -29.038 10.672 1.00 4.11 H new ATOM 0 HB2 ARG A 84 -19.869 -26.405 11.639 1.00 72.21 H new ATOM 0 HB3 ARG A 84 -20.475 -27.493 12.873 1.00 72.21 H new ATOM 0 HG2 ARG A 84 -18.952 -29.286 11.742 1.00 1.20 H new ATOM 0 HG3 ARG A 84 -18.177 -27.925 10.956 1.00 1.20 H new ATOM 0 HD2 ARG A 84 -18.062 -26.928 13.404 1.00 45.31 H new ATOM 0 HD3 ARG A 84 -18.300 -28.592 13.899 1.00 45.31 H new ATOM 0 HE ARG A 84 -16.229 -28.691 12.012 1.00 53.54 H new ATOM 0 HH11 ARG A 84 -16.859 -27.093 15.096 1.00 42.22 H new ATOM 0 HH12 ARG A 84 -15.154 -27.055 15.556 1.00 42.22 H new ATOM 0 HH21 ARG A 84 -14.040 -28.640 12.611 1.00 74.34 H new ATOM 0 HH22 ARG A 84 -13.565 -27.927 14.156 1.00 74.34 H new ATOM 1231 N LYS A 85 -23.158 -26.755 11.269 1.00 52.34 N ATOM 1232 CA LYS A 85 -24.498 -26.530 11.798 1.00 73.14 C ATOM 1233 C LYS A 85 -25.551 -27.185 10.909 1.00 41.22 C ATOM 1234 O LYS A 85 -26.638 -27.531 11.370 1.00 64.00 O ATOM 1235 CB LYS A 85 -24.777 -25.030 11.916 1.00 32.14 C ATOM 1236 CG LYS A 85 -25.068 -24.358 10.586 1.00 61.24 C ATOM 1237 CD LYS A 85 -26.561 -24.184 10.363 1.00 1.02 C ATOM 1238 CE LYS A 85 -26.845 -23.230 9.213 1.00 35.02 C ATOM 1239 NZ LYS A 85 -28.160 -23.511 8.572 1.00 64.35 N ATOM 0 H LYS A 85 -22.785 -25.978 10.723 1.00 52.34 H new ATOM 0 HA LYS A 85 -24.551 -26.982 12.788 1.00 73.14 H new ATOM 0 HB2 LYS A 85 -25.626 -24.878 12.583 1.00 32.14 H new ATOM 0 HB3 LYS A 85 -23.917 -24.545 12.378 1.00 32.14 H new ATOM 0 HG2 LYS A 85 -24.579 -23.384 10.555 1.00 61.24 H new ATOM 0 HG3 LYS A 85 -24.645 -24.953 9.777 1.00 61.24 H new ATOM 0 HD2 LYS A 85 -27.014 -25.153 10.154 1.00 1.02 H new ATOM 0 HD3 LYS A 85 -27.024 -23.806 11.274 1.00 1.02 H new ATOM 0 HE2 LYS A 85 -26.832 -22.204 9.580 1.00 35.02 H new ATOM 0 HE3 LYS A 85 -26.053 -23.312 8.469 1.00 35.02 H new ATOM 0 HZ1 LYS A 85 -28.459 -22.684 8.016 1.00 64.35 H new ATOM 0 HZ2 LYS A 85 -28.071 -24.336 7.945 1.00 64.35 H new ATOM 0 HZ3 LYS A 85 -28.869 -23.709 9.307 1.00 64.35 H new ATOM 1253 N ASN A 86 -25.220 -27.353 9.633 1.00 41.54 N ATOM 1254 CA ASN A 86 -26.137 -27.967 8.680 1.00 51.15 C ATOM 1255 C ASN A 86 -26.298 -29.457 8.963 1.00 33.31 C ATOM 1256 O ASN A 86 -27.322 -30.055 8.632 1.00 23.33 O ATOM 1257 CB ASN A 86 -25.634 -27.760 7.250 1.00 42.04 C ATOM 1258 CG ASN A 86 -26.221 -26.520 6.604 1.00 41.22 C ATOM 1259 OD1 ASN A 86 -26.943 -25.756 7.244 1.00 1.43 O ATOM 1260 ND2 ASN A 86 -25.913 -26.315 5.328 1.00 0.14 N ATOM 0 H ASN A 86 -24.324 -27.073 9.235 1.00 41.54 H new ATOM 0 HA ASN A 86 -27.110 -27.487 8.789 1.00 51.15 H new ATOM 0 HB2 ASN A 86 -24.547 -27.682 7.258 1.00 42.04 H new ATOM 0 HB3 ASN A 86 -25.887 -28.634 6.649 1.00 42.04 H new ATOM 0 HD21 ASN A 86 -26.279 -25.498 4.840 1.00 0.14 H new ATOM 0 HD22 ASN A 86 -25.310 -26.975 4.836 1.00 0.14 H new ATOM 1267 N ALA A 87 -25.280 -30.051 9.578 1.00 15.53 N ATOM 1268 CA ALA A 87 -25.310 -31.470 9.909 1.00 51.20 C ATOM 1269 C ALA A 87 -25.969 -31.704 11.264 1.00 73.21 C ATOM 1270 O ALA A 87 -26.658 -32.704 11.466 1.00 71.42 O ATOM 1271 CB ALA A 87 -23.901 -32.043 9.899 1.00 21.52 C ATOM 0 H ALA A 87 -24.424 -29.571 9.857 1.00 15.53 H new ATOM 0 HA ALA A 87 -25.905 -31.982 9.153 1.00 51.20 H new ATOM 0 HB1 ALA A 87 -23.938 -33.104 10.148 1.00 21.52 H new ATOM 0 HB2 ALA A 87 -23.464 -31.918 8.908 1.00 21.52 H new ATOM 0 HB3 ALA A 87 -23.290 -31.519 10.634 1.00 21.52 H new ATOM 1277 N VAL A 88 -25.753 -30.776 12.190 1.00 12.15 N ATOM 1278 CA VAL A 88 -26.327 -30.881 13.527 1.00 61.43 C ATOM 1279 C VAL A 88 -27.840 -30.696 13.492 1.00 43.05 C ATOM 1280 O VAL A 88 -28.565 -31.256 14.314 1.00 20.13 O ATOM 1281 CB VAL A 88 -25.715 -29.841 14.484 1.00 73.21 C ATOM 1282 CG1 VAL A 88 -26.345 -29.950 15.864 1.00 11.02 C ATOM 1283 CG2 VAL A 88 -24.206 -30.013 14.563 1.00 41.24 C ATOM 0 H VAL A 88 -25.185 -29.943 12.039 1.00 12.15 H new ATOM 0 HA VAL A 88 -26.095 -31.881 13.893 1.00 61.43 H new ATOM 0 HB VAL A 88 -25.924 -28.845 14.093 1.00 73.21 H new ATOM 0 HG11 VAL A 88 -25.900 -29.208 16.527 1.00 11.02 H new ATOM 0 HG12 VAL A 88 -27.418 -29.773 15.789 1.00 11.02 H new ATOM 0 HG13 VAL A 88 -26.169 -30.948 16.267 1.00 11.02 H new ATOM 0 HG21 VAL A 88 -23.790 -29.270 15.244 1.00 41.24 H new ATOM 0 HG22 VAL A 88 -23.972 -31.012 14.930 1.00 41.24 H new ATOM 0 HG23 VAL A 88 -23.772 -29.880 13.572 1.00 41.24 H new ATOM 1293 N THR A 89 -28.311 -29.906 12.532 1.00 15.42 N ATOM 1294 CA THR A 89 -29.738 -29.645 12.389 1.00 33.13 C ATOM 1295 C THR A 89 -30.466 -30.862 11.830 1.00 31.33 C ATOM 1296 O THR A 89 -31.644 -31.076 12.113 1.00 75.51 O ATOM 1297 CB THR A 89 -29.999 -28.438 11.469 1.00 15.42 C ATOM 1298 OG1 THR A 89 -28.953 -28.326 10.498 1.00 20.22 O ATOM 1299 CG2 THR A 89 -30.088 -27.151 12.276 1.00 32.35 C ATOM 0 H THR A 89 -27.725 -29.436 11.842 1.00 15.42 H new ATOM 0 HA THR A 89 -30.120 -29.422 13.385 1.00 33.13 H new ATOM 0 HB THR A 89 -30.950 -28.596 10.961 1.00 15.42 H new ATOM 0 HG1 THR A 89 -28.235 -27.762 10.854 1.00 20.22 H new ATOM 0 HG21 THR A 89 -30.273 -26.313 11.604 1.00 32.35 H new ATOM 0 HG22 THR A 89 -30.904 -27.228 12.994 1.00 32.35 H new ATOM 0 HG23 THR A 89 -29.151 -26.990 12.808 1.00 32.35 H new ATOM 1307 N ALA A 90 -29.756 -31.657 11.036 1.00 34.32 N ATOM 1308 CA ALA A 90 -30.335 -32.855 10.440 1.00 42.01 C ATOM 1309 C ALA A 90 -30.982 -33.738 11.501 1.00 75.53 C ATOM 1310 O ALA A 90 -31.963 -34.433 11.230 1.00 62.13 O ATOM 1311 CB ALA A 90 -29.271 -33.633 9.680 1.00 4.12 C ATOM 0 H ALA A 90 -28.780 -31.493 10.791 1.00 34.32 H new ATOM 0 HA ALA A 90 -31.111 -32.544 9.741 1.00 42.01 H new ATOM 0 HB1 ALA A 90 -29.717 -34.525 9.240 1.00 4.12 H new ATOM 0 HB2 ALA A 90 -28.857 -33.007 8.890 1.00 4.12 H new ATOM 0 HB3 ALA A 90 -28.475 -33.925 10.365 1.00 4.12 H new TER 1317 ALA A 90