USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 704 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 87 ASN : amide:sc= 1.37 K(o=1.4,f=0.2) USER MOD Set 1.2: A 90 ASN : amide:sc= -0.0093 K(o=1.4,f=0.2) USER MOD Set 2.1: A 82 GLN : amide:sc= 0.372 K(o=0.034,f=-0.82) USER MOD Set 2.2: A 85 GLN : amide:sc= -0.338 X(o=0.034,f=0.34) USER MOD Set 3.1: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 72 MET CE :methyl 146:sc= 0 (180deg=-0.0131) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0185 USER MOD Single : A 8 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.2) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 16 GLN : amide:sc= -0.172 K(o=-0.17,f=-0.82) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0433 K(o=-0.043,f=-0.58) USER MOD Single : A 20 ASN : amide:sc= -0.17! X(o=-0.17!,f=-0.25) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.026) USER MOD Single : A 36 GLN : amide:sc= -0.511 X(o=-0.51,f=-0.59) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 50 GLN : amide:sc= 0.541 K(o=0.54,f=-1.3) USER MOD Single : A 54 ASN : amide:sc= 0.986 K(o=0.99,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 61 SER OG : rot 89:sc= 1.18 USER MOD Single : A 62 MET CE :methyl -161:sc= -0.146 (180deg=-0.7) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0155) USER MOD Single : A 66 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.27) USER MOD Single : A 68 THR OG1 : rot 105:sc= 1.08 USER MOD Single : A 74 THR OG1 : rot 29:sc= 0.121 USER MOD Single : A 77 GLN : amide:sc= -0.134 K(o=-0.13,f=-1.4) USER MOD Single : A 80 TYR OH : rot 180:sc= 0.304 USER MOD Single : A 84 GLN : amide:sc= -0.904 X(o=-0.9,f=-0.94) USER MOD Single : A 89 ASN : amide:sc= -0.695 K(o=-0.69,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 172:sc= 0 (180deg=-0.00736) USER MOD Single : A 101 LYS NZ :NH3+ 177:sc= 1.09 (180deg=1.07) USER MOD Single : A 102 LYS NZ :NH3+ -167:sc= -0.345 (180deg=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.028 7.642 15.672 1.00 21.04 N ATOM 2 CA GLY A 1 -20.276 6.996 16.084 1.00 14.25 C ATOM 3 C GLY A 1 -20.042 5.584 16.559 1.00 31.44 C ATOM 4 O GLY A 1 -19.734 5.366 17.727 1.00 33.43 O ATOM 0 H1 GLY A 1 -19.228 8.611 15.352 1.00 21.04 H new ATOM 0 H2 GLY A 1 -18.370 7.672 16.477 1.00 21.04 H new ATOM 0 H3 GLY A 1 -18.598 7.102 14.894 1.00 21.04 H new ATOM 0 HA2 GLY A 1 -20.740 7.576 16.882 1.00 14.25 H new ATOM 0 HA3 GLY A 1 -20.975 6.988 15.248 1.00 14.25 H new ATOM 8 N THR A 2 -20.210 4.619 15.655 1.00 52.30 N ATOM 9 CA THR A 2 -20.302 3.199 15.959 1.00 51.41 C ATOM 10 C THR A 2 -21.324 2.993 17.087 1.00 43.30 C ATOM 11 O THR A 2 -20.998 2.509 18.170 1.00 10.22 O ATOM 12 CB THR A 2 -18.898 2.608 16.202 1.00 41.13 C ATOM 13 OG1 THR A 2 -17.982 3.101 15.237 1.00 52.54 O ATOM 14 CG2 THR A 2 -18.892 1.085 16.061 1.00 60.31 C ATOM 0 H THR A 2 -20.288 4.816 14.657 1.00 52.30 H new ATOM 0 HA THR A 2 -20.684 2.630 15.112 1.00 51.41 H new ATOM 0 HB THR A 2 -18.614 2.897 17.214 1.00 41.13 H new ATOM 0 HG1 THR A 2 -17.095 2.720 15.403 1.00 52.54 H new ATOM 0 HG21 THR A 2 -17.885 0.707 16.239 1.00 60.31 H new ATOM 0 HG22 THR A 2 -19.577 0.650 16.788 1.00 60.31 H new ATOM 0 HG23 THR A 2 -19.209 0.812 15.055 1.00 60.31 H new ATOM 22 N ASP A 3 -22.577 3.379 16.834 1.00 34.35 N ATOM 23 CA ASP A 3 -23.684 3.290 17.787 1.00 72.03 C ATOM 24 C ASP A 3 -24.903 2.831 16.996 1.00 45.24 C ATOM 25 O ASP A 3 -25.439 3.608 16.201 1.00 52.11 O ATOM 26 CB ASP A 3 -23.943 4.644 18.481 1.00 74.41 C ATOM 27 CG ASP A 3 -23.178 4.791 19.798 1.00 50.14 C ATOM 28 OD1 ASP A 3 -23.299 3.885 20.655 1.00 5.42 O ATOM 29 OD2 ASP A 3 -22.492 5.821 19.990 1.00 73.23 O ATOM 0 H ASP A 3 -22.856 3.773 15.935 1.00 34.35 H new ATOM 0 HA ASP A 3 -23.450 2.585 18.585 1.00 72.03 H new ATOM 0 HB2 ASP A 3 -23.657 5.453 17.808 1.00 74.41 H new ATOM 0 HB3 ASP A 3 -25.011 4.751 18.672 1.00 74.41 H new ATOM 33 N PHE A 4 -25.295 1.562 17.121 1.00 73.11 N ATOM 34 CA PHE A 4 -26.372 0.952 16.341 1.00 64.33 C ATOM 35 C PHE A 4 -27.016 -0.190 17.141 1.00 12.53 C ATOM 36 O PHE A 4 -26.589 -0.484 18.262 1.00 40.44 O ATOM 37 CB PHE A 4 -25.827 0.462 14.980 1.00 42.14 C ATOM 38 CG PHE A 4 -26.687 0.901 13.811 1.00 1.33 C ATOM 39 CD1 PHE A 4 -26.551 2.211 13.317 1.00 62.11 C ATOM 40 CD2 PHE A 4 -27.619 0.026 13.220 1.00 55.32 C ATOM 41 CE1 PHE A 4 -27.353 2.654 12.255 1.00 22.01 C ATOM 42 CE2 PHE A 4 -28.435 0.477 12.164 1.00 21.44 C ATOM 43 CZ PHE A 4 -28.305 1.792 11.684 1.00 40.32 C ATOM 0 H PHE A 4 -24.863 0.916 17.782 1.00 73.11 H new ATOM 0 HA PHE A 4 -27.144 1.695 16.141 1.00 64.33 H new ATOM 0 HB2 PHE A 4 -24.814 0.840 14.842 1.00 42.14 H new ATOM 0 HB3 PHE A 4 -25.763 -0.626 14.990 1.00 42.14 H new ATOM 0 HD1 PHE A 4 -25.826 2.879 13.758 1.00 62.11 H new ATOM 0 HD2 PHE A 4 -27.708 -0.990 13.576 1.00 55.32 H new ATOM 0 HE1 PHE A 4 -27.239 3.659 11.876 1.00 22.01 H new ATOM 0 HE2 PHE A 4 -29.162 -0.189 11.722 1.00 21.44 H new ATOM 0 HZ PHE A 4 -28.935 2.139 10.878 1.00 40.32 H new ATOM 52 N GLY A 5 -28.038 -0.839 16.571 1.00 62.24 N ATOM 53 CA GLY A 5 -28.680 -1.989 17.202 1.00 74.33 C ATOM 54 C GLY A 5 -29.958 -2.459 16.506 1.00 72.14 C ATOM 55 O GLY A 5 -30.879 -2.918 17.179 1.00 51.52 O ATOM 0 H GLY A 5 -28.437 -0.582 15.668 1.00 62.24 H new ATOM 0 HA2 GLY A 5 -27.971 -2.816 17.230 1.00 74.33 H new ATOM 0 HA3 GLY A 5 -28.916 -1.736 18.236 1.00 74.33 H new ATOM 59 N THR A 6 -30.082 -2.320 15.181 1.00 54.12 N ATOM 60 CA THR A 6 -31.249 -2.824 14.445 1.00 31.44 C ATOM 61 C THR A 6 -30.799 -3.253 13.044 1.00 52.31 C ATOM 62 O THR A 6 -31.221 -2.722 12.015 1.00 3.11 O ATOM 63 CB THR A 6 -32.410 -1.803 14.461 1.00 64.40 C ATOM 64 OG1 THR A 6 -32.488 -1.113 15.694 1.00 0.55 O ATOM 65 CG2 THR A 6 -33.751 -2.515 14.262 1.00 12.51 C ATOM 0 H THR A 6 -29.386 -1.861 14.594 1.00 54.12 H new ATOM 0 HA THR A 6 -31.660 -3.706 14.936 1.00 31.44 H new ATOM 0 HB THR A 6 -32.211 -1.098 13.653 1.00 64.40 H new ATOM 0 HG1 THR A 6 -33.232 -0.476 15.666 1.00 0.55 H new ATOM 0 HG21 THR A 6 -34.558 -1.782 14.276 1.00 12.51 H new ATOM 0 HG22 THR A 6 -33.749 -3.034 13.303 1.00 12.51 H new ATOM 0 HG23 THR A 6 -33.903 -3.236 15.065 1.00 12.51 H new ATOM 73 N THR A 7 -29.883 -4.216 13.024 1.00 35.04 N ATOM 74 CA THR A 7 -28.978 -4.570 11.936 1.00 21.33 C ATOM 75 C THR A 7 -29.679 -5.344 10.801 1.00 72.42 C ATOM 76 O THR A 7 -29.049 -6.115 10.072 1.00 20.21 O ATOM 77 CB THR A 7 -27.793 -5.333 12.579 1.00 15.14 C ATOM 78 OG1 THR A 7 -27.529 -4.796 13.874 1.00 41.50 O ATOM 79 CG2 THR A 7 -26.515 -5.219 11.746 1.00 61.33 C ATOM 0 H THR A 7 -29.743 -4.818 13.835 1.00 35.04 H new ATOM 0 HA THR A 7 -28.610 -3.677 11.431 1.00 21.33 H new ATOM 0 HB THR A 7 -28.078 -6.384 12.637 1.00 15.14 H new ATOM 0 HG1 THR A 7 -26.781 -5.279 14.282 1.00 41.50 H new ATOM 0 HG21 THR A 7 -25.711 -5.769 12.235 1.00 61.33 H new ATOM 0 HG22 THR A 7 -26.689 -5.636 10.754 1.00 61.33 H new ATOM 0 HG23 THR A 7 -26.233 -4.170 11.654 1.00 61.33 H new ATOM 87 N ASN A 8 -30.993 -5.171 10.637 1.00 73.12 N ATOM 88 CA ASN A 8 -31.758 -5.713 9.515 1.00 71.10 C ATOM 89 C ASN A 8 -32.773 -4.707 8.947 1.00 2.24 C ATOM 90 O ASN A 8 -33.489 -5.024 8.000 1.00 4.55 O ATOM 91 CB ASN A 8 -32.461 -7.004 9.956 1.00 35.41 C ATOM 92 CG ASN A 8 -32.959 -7.792 8.746 1.00 35.05 C ATOM 93 OD1 ASN A 8 -32.172 -8.265 7.935 1.00 55.31 O ATOM 94 ND2 ASN A 8 -34.261 -7.977 8.599 1.00 4.52 N ATOM 0 H ASN A 8 -31.564 -4.640 11.294 1.00 73.12 H new ATOM 0 HA ASN A 8 -31.058 -5.929 8.708 1.00 71.10 H new ATOM 0 HB2 ASN A 8 -31.773 -7.618 10.537 1.00 35.41 H new ATOM 0 HB3 ASN A 8 -33.300 -6.762 10.608 1.00 35.41 H new ATOM 0 HD21 ASN A 8 -34.613 -8.516 7.808 1.00 4.52 H new ATOM 0 HD22 ASN A 8 -34.912 -7.581 9.277 1.00 4.52 H new ATOM 100 N ASN A 9 -32.890 -3.504 9.525 1.00 24.12 N ATOM 101 CA ASN A 9 -34.038 -2.625 9.303 1.00 75.14 C ATOM 102 C ASN A 9 -33.560 -1.258 8.830 1.00 61.03 C ATOM 103 O ASN A 9 -33.834 -0.242 9.465 1.00 51.53 O ATOM 104 CB ASN A 9 -34.914 -2.530 10.566 1.00 12.31 C ATOM 105 CG ASN A 9 -35.576 -3.854 10.920 1.00 34.02 C ATOM 106 OD1 ASN A 9 -34.941 -4.756 11.451 1.00 60.32 O ATOM 107 ND2 ASN A 9 -36.860 -4.013 10.636 1.00 42.42 N ATOM 0 H ASN A 9 -32.191 -3.116 10.158 1.00 24.12 H new ATOM 0 HA ASN A 9 -34.666 -3.049 8.519 1.00 75.14 H new ATOM 0 HB2 ASN A 9 -34.301 -2.199 11.404 1.00 12.31 H new ATOM 0 HB3 ASN A 9 -35.683 -1.773 10.414 1.00 12.31 H new ATOM 0 HD21 ASN A 9 -37.327 -4.892 10.860 1.00 42.42 H new ATOM 0 HD22 ASN A 9 -37.382 -3.257 10.194 1.00 42.42 H new ATOM 113 N PHE A 10 -32.847 -1.227 7.706 1.00 52.43 N ATOM 114 CA PHE A 10 -32.520 -0.008 6.978 1.00 4.31 C ATOM 115 C PHE A 10 -32.481 -0.335 5.482 1.00 51.30 C ATOM 116 O PHE A 10 -32.783 -1.460 5.081 1.00 31.04 O ATOM 117 CB PHE A 10 -31.206 0.610 7.507 1.00 35.34 C ATOM 118 CG PHE A 10 -31.417 1.968 8.154 1.00 61.20 C ATOM 119 CD1 PHE A 10 -31.554 3.121 7.356 1.00 2.51 C ATOM 120 CD2 PHE A 10 -31.531 2.076 9.553 1.00 23.14 C ATOM 121 CE1 PHE A 10 -31.798 4.371 7.955 1.00 71.21 C ATOM 122 CE2 PHE A 10 -31.770 3.326 10.152 1.00 71.22 C ATOM 123 CZ PHE A 10 -31.907 4.474 9.353 1.00 42.32 C ATOM 0 H PHE A 10 -32.473 -2.069 7.268 1.00 52.43 H new ATOM 0 HA PHE A 10 -33.283 0.754 7.136 1.00 4.31 H new ATOM 0 HB2 PHE A 10 -30.757 -0.068 8.233 1.00 35.34 H new ATOM 0 HB3 PHE A 10 -30.499 0.710 6.684 1.00 35.34 H new ATOM 0 HD1 PHE A 10 -31.472 3.045 6.282 1.00 2.51 H new ATOM 0 HD2 PHE A 10 -31.434 1.195 10.170 1.00 23.14 H new ATOM 0 HE1 PHE A 10 -31.902 5.253 7.340 1.00 71.21 H new ATOM 0 HE2 PHE A 10 -31.848 3.404 11.226 1.00 71.22 H new ATOM 0 HZ PHE A 10 -32.096 5.433 9.812 1.00 42.32 H new ATOM 132 N VAL A 11 -32.125 0.651 4.661 1.00 40.44 N ATOM 133 CA VAL A 11 -31.815 0.482 3.250 1.00 43.34 C ATOM 134 C VAL A 11 -30.299 0.642 3.085 1.00 20.14 C ATOM 135 O VAL A 11 -29.613 1.166 3.971 1.00 43.14 O ATOM 136 CB VAL A 11 -32.667 1.466 2.414 1.00 13.43 C ATOM 137 CG1 VAL A 11 -32.389 2.945 2.739 1.00 72.43 C ATOM 138 CG2 VAL A 11 -32.525 1.231 0.904 1.00 64.33 C ATOM 0 H VAL A 11 -32.043 1.619 4.973 1.00 40.44 H new ATOM 0 HA VAL A 11 -32.075 -0.509 2.877 1.00 43.34 H new ATOM 0 HB VAL A 11 -33.696 1.252 2.704 1.00 13.43 H new ATOM 0 HG11 VAL A 11 -33.020 3.579 2.117 1.00 72.43 H new ATOM 0 HG12 VAL A 11 -32.608 3.134 3.790 1.00 72.43 H new ATOM 0 HG13 VAL A 11 -31.341 3.170 2.541 1.00 72.43 H new ATOM 0 HG21 VAL A 11 -33.144 1.948 0.364 1.00 64.33 H new ATOM 0 HG22 VAL A 11 -31.483 1.359 0.612 1.00 64.33 H new ATOM 0 HG23 VAL A 11 -32.848 0.219 0.661 1.00 64.33 H new ATOM 148 N SER A 12 -29.767 0.158 1.971 1.00 44.12 N ATOM 149 CA SER A 12 -28.386 0.346 1.564 1.00 42.14 C ATOM 150 C SER A 12 -28.170 1.815 1.164 1.00 20.33 C ATOM 151 O SER A 12 -29.120 2.459 0.714 1.00 73.04 O ATOM 152 CB SER A 12 -28.121 -0.582 0.374 1.00 52.20 C ATOM 153 OG SER A 12 -28.620 -1.883 0.654 1.00 64.32 O ATOM 0 H SER A 12 -30.306 -0.395 1.305 1.00 44.12 H new ATOM 0 HA SER A 12 -27.700 0.109 2.378 1.00 42.14 H new ATOM 0 HB2 SER A 12 -28.599 -0.185 -0.521 1.00 52.20 H new ATOM 0 HB3 SER A 12 -27.051 -0.630 0.170 1.00 52.20 H new ATOM 0 HG SER A 12 -28.449 -2.471 -0.111 1.00 64.32 H new ATOM 158 N PRO A 13 -26.945 2.350 1.276 1.00 22.32 N ATOM 159 CA PRO A 13 -26.597 3.628 0.682 1.00 33.12 C ATOM 160 C PRO A 13 -26.474 3.488 -0.836 1.00 11.24 C ATOM 161 O PRO A 13 -26.526 2.389 -1.400 1.00 40.12 O ATOM 162 CB PRO A 13 -25.253 4.000 1.307 1.00 23.34 C ATOM 163 CG PRO A 13 -24.593 2.636 1.478 1.00 11.14 C ATOM 164 CD PRO A 13 -25.768 1.740 1.871 1.00 62.01 C ATOM 0 HA PRO A 13 -27.352 4.392 0.865 1.00 33.12 H new ATOM 0 HB2 PRO A 13 -24.671 4.657 0.661 1.00 23.34 H new ATOM 0 HB3 PRO A 13 -25.375 4.516 2.259 1.00 23.34 H new ATOM 0 HG2 PRO A 13 -24.117 2.298 0.557 1.00 11.14 H new ATOM 0 HG3 PRO A 13 -23.822 2.653 2.248 1.00 11.14 H new ATOM 0 HD2 PRO A 13 -25.625 0.724 1.503 1.00 62.01 H new ATOM 0 HD3 PRO A 13 -25.866 1.676 2.955 1.00 62.01 H new ATOM 169 N ASN A 14 -26.216 4.616 -1.488 1.00 3.43 N ATOM 170 CA ASN A 14 -25.978 4.714 -2.912 1.00 52.22 C ATOM 171 C ASN A 14 -24.545 5.181 -3.097 1.00 72.02 C ATOM 172 O ASN A 14 -24.219 6.316 -2.750 1.00 44.52 O ATOM 173 CB ASN A 14 -26.989 5.690 -3.537 1.00 43.30 C ATOM 174 CG ASN A 14 -28.269 4.981 -3.960 1.00 55.53 C ATOM 175 OD1 ASN A 14 -28.689 4.003 -3.354 1.00 54.52 O ATOM 176 ND2 ASN A 14 -28.939 5.446 -4.999 1.00 42.32 N ATOM 0 H ASN A 14 -26.166 5.519 -1.015 1.00 3.43 H new ATOM 0 HA ASN A 14 -26.112 3.755 -3.412 1.00 52.22 H new ATOM 0 HB2 ASN A 14 -27.228 6.475 -2.820 1.00 43.30 H new ATOM 0 HB3 ASN A 14 -26.539 6.175 -4.403 1.00 43.30 H new ATOM 0 HD21 ASN A 14 -29.803 4.991 -5.294 1.00 42.32 H new ATOM 0 HD22 ASN A 14 -28.593 6.260 -5.506 1.00 42.32 H new ATOM 182 N LEU A 15 -23.668 4.333 -3.639 1.00 52.42 N ATOM 183 CA LEU A 15 -22.326 4.719 -4.093 1.00 31.11 C ATOM 184 C LEU A 15 -22.427 5.513 -5.410 1.00 42.54 C ATOM 185 O LEU A 15 -21.776 5.186 -6.406 1.00 33.11 O ATOM 186 CB LEU A 15 -21.427 3.471 -4.215 1.00 23.04 C ATOM 187 CG LEU A 15 -19.936 3.851 -4.411 1.00 54.23 C ATOM 188 CD1 LEU A 15 -19.115 3.488 -3.172 1.00 24.12 C ATOM 189 CD2 LEU A 15 -19.324 3.175 -5.646 1.00 43.50 C ATOM 0 H LEU A 15 -23.871 3.343 -3.778 1.00 52.42 H new ATOM 0 HA LEU A 15 -21.859 5.374 -3.358 1.00 31.11 H new ATOM 0 HB2 LEU A 15 -21.531 2.859 -3.319 1.00 23.04 H new ATOM 0 HB3 LEU A 15 -21.761 2.864 -5.056 1.00 23.04 H new ATOM 0 HG LEU A 15 -19.906 4.930 -4.565 1.00 54.23 H new ATOM 0 HD11 LEU A 15 -18.073 3.764 -3.333 1.00 24.12 H new ATOM 0 HD12 LEU A 15 -19.504 4.026 -2.307 1.00 24.12 H new ATOM 0 HD13 LEU A 15 -19.183 2.415 -2.992 1.00 24.12 H new ATOM 0 HD21 LEU A 15 -18.279 3.471 -5.742 1.00 43.50 H new ATOM 0 HD22 LEU A 15 -19.386 2.092 -5.536 1.00 43.50 H new ATOM 0 HD23 LEU A 15 -19.872 3.481 -6.537 1.00 43.50 H new ATOM 200 N GLN A 16 -23.281 6.536 -5.449 1.00 64.20 N ATOM 201 CA GLN A 16 -23.553 7.399 -6.593 1.00 4.35 C ATOM 202 C GLN A 16 -22.489 8.504 -6.694 1.00 0.35 C ATOM 203 O GLN A 16 -22.819 9.672 -6.917 1.00 1.15 O ATOM 204 CB GLN A 16 -24.996 7.946 -6.461 1.00 41.53 C ATOM 205 CG GLN A 16 -26.040 6.994 -7.065 1.00 63.44 C ATOM 206 CD GLN A 16 -25.914 6.874 -8.585 1.00 34.31 C ATOM 207 OE1 GLN A 16 -25.448 7.783 -9.264 1.00 61.23 O ATOM 208 NE2 GLN A 16 -26.244 5.727 -9.153 1.00 74.23 N ATOM 0 H GLN A 16 -23.833 6.798 -4.632 1.00 64.20 H new ATOM 0 HA GLN A 16 -23.491 6.841 -7.527 1.00 4.35 H new ATOM 0 HB2 GLN A 16 -25.224 8.111 -5.408 1.00 41.53 H new ATOM 0 HB3 GLN A 16 -25.061 8.915 -6.957 1.00 41.53 H new ATOM 0 HG2 GLN A 16 -25.930 6.007 -6.616 1.00 63.44 H new ATOM 0 HG3 GLN A 16 -27.039 7.349 -6.813 1.00 63.44 H new ATOM 0 HE21 GLN A 16 -26.631 4.971 -8.588 1.00 74.23 H new ATOM 0 HE22 GLN A 16 -26.111 5.598 -10.156 1.00 74.23 H new ATOM 215 N LEU A 17 -21.212 8.172 -6.512 1.00 33.43 N ATOM 216 CA LEU A 17 -20.084 9.075 -6.605 1.00 64.04 C ATOM 217 C LEU A 17 -18.823 8.225 -6.694 1.00 21.41 C ATOM 218 O LEU A 17 -18.659 7.269 -5.930 1.00 61.44 O ATOM 219 CB LEU A 17 -20.035 10.057 -5.417 1.00 55.10 C ATOM 220 CG LEU A 17 -19.625 9.502 -4.035 1.00 41.42 C ATOM 221 CD1 LEU A 17 -19.705 10.650 -3.033 1.00 14.55 C ATOM 222 CD2 LEU A 17 -20.519 8.378 -3.493 1.00 21.44 C ATOM 0 H LEU A 17 -20.931 7.218 -6.285 1.00 33.43 H new ATOM 0 HA LEU A 17 -20.176 9.699 -7.494 1.00 64.04 H new ATOM 0 HB2 LEU A 17 -19.342 10.858 -5.674 1.00 55.10 H new ATOM 0 HB3 LEU A 17 -21.022 10.509 -5.316 1.00 55.10 H new ATOM 0 HG LEU A 17 -18.627 9.082 -4.163 1.00 41.42 H new ATOM 0 HD11 LEU A 17 -19.421 10.290 -2.044 1.00 14.55 H new ATOM 0 HD12 LEU A 17 -19.027 11.447 -3.338 1.00 14.55 H new ATOM 0 HD13 LEU A 17 -20.725 11.034 -3.000 1.00 14.55 H new ATOM 0 HD21 LEU A 17 -20.149 8.056 -2.519 1.00 21.44 H new ATOM 0 HD22 LEU A 17 -21.541 8.743 -3.391 1.00 21.44 H new ATOM 0 HD23 LEU A 17 -20.503 7.535 -4.184 1.00 21.44 H new ATOM 233 N LYS A 18 -17.936 8.553 -7.624 1.00 20.24 N ATOM 234 CA LYS A 18 -16.595 7.982 -7.690 1.00 31.35 C ATOM 235 C LYS A 18 -15.674 8.796 -6.790 1.00 55.24 C ATOM 236 O LYS A 18 -15.500 9.995 -7.024 1.00 20.45 O ATOM 237 CB LYS A 18 -16.080 7.953 -9.133 1.00 62.24 C ATOM 238 CG LYS A 18 -16.983 7.112 -10.046 1.00 52.13 C ATOM 239 CD LYS A 18 -16.188 6.400 -11.149 1.00 11.24 C ATOM 240 CE LYS A 18 -15.731 5.029 -10.624 1.00 55.14 C ATOM 241 NZ LYS A 18 -15.183 4.150 -11.676 1.00 35.04 N ATOM 0 H LYS A 18 -18.128 9.230 -8.362 1.00 20.24 H new ATOM 0 HA LYS A 18 -16.619 6.949 -7.342 1.00 31.35 H new ATOM 0 HB2 LYS A 18 -16.022 8.971 -9.518 1.00 62.24 H new ATOM 0 HB3 LYS A 18 -15.068 7.547 -9.149 1.00 62.24 H new ATOM 0 HG2 LYS A 18 -17.514 6.372 -9.447 1.00 52.13 H new ATOM 0 HG3 LYS A 18 -17.737 7.755 -10.501 1.00 52.13 H new ATOM 0 HD2 LYS A 18 -16.805 6.277 -12.039 1.00 11.24 H new ATOM 0 HD3 LYS A 18 -15.325 7.000 -11.439 1.00 11.24 H new ATOM 0 HE2 LYS A 18 -14.974 5.177 -9.854 1.00 55.14 H new ATOM 0 HE3 LYS A 18 -16.576 4.531 -10.148 1.00 55.14 H new ATOM 0 HZ1 LYS A 18 -14.894 3.244 -11.256 1.00 35.04 H new ATOM 0 HZ2 LYS A 18 -15.910 3.980 -12.400 1.00 35.04 H new ATOM 0 HZ3 LYS A 18 -14.358 4.606 -12.115 1.00 35.04 H new ATOM 251 N GLN A 19 -15.075 8.179 -5.774 1.00 40.33 N ATOM 252 CA GLN A 19 -14.068 8.791 -4.905 1.00 21.12 C ATOM 253 C GLN A 19 -12.736 8.052 -5.053 1.00 22.05 C ATOM 254 O GLN A 19 -12.677 7.044 -5.758 1.00 71.14 O ATOM 255 CB GLN A 19 -14.601 8.850 -3.462 1.00 53.12 C ATOM 256 CG GLN A 19 -14.791 7.497 -2.747 1.00 23.43 C ATOM 257 CD GLN A 19 -13.649 7.092 -1.812 1.00 51.40 C ATOM 258 OE1 GLN A 19 -13.060 7.926 -1.121 1.00 55.44 O ATOM 259 NE2 GLN A 19 -13.337 5.810 -1.743 1.00 73.31 N ATOM 0 H GLN A 19 -15.281 7.212 -5.524 1.00 40.33 H new ATOM 0 HA GLN A 19 -13.872 9.822 -5.200 1.00 21.12 H new ATOM 0 HB2 GLN A 19 -13.917 9.457 -2.869 1.00 53.12 H new ATOM 0 HB3 GLN A 19 -15.560 9.369 -3.472 1.00 53.12 H new ATOM 0 HG2 GLN A 19 -15.716 7.534 -2.171 1.00 23.43 H new ATOM 0 HG3 GLN A 19 -14.916 6.720 -3.501 1.00 23.43 H new ATOM 0 HE21 GLN A 19 -13.834 5.132 -2.321 1.00 73.31 H new ATOM 0 HE22 GLN A 19 -12.599 5.498 -1.111 1.00 73.31 H new ATOM 266 N ASN A 20 -11.687 8.544 -4.389 1.00 1.35 N ATOM 267 CA ASN A 20 -10.343 7.963 -4.353 1.00 0.45 C ATOM 268 C ASN A 20 -10.386 6.596 -3.665 1.00 23.02 C ATOM 269 O ASN A 20 -10.112 6.455 -2.471 1.00 54.50 O ATOM 270 CB ASN A 20 -9.378 8.935 -3.649 1.00 41.34 C ATOM 271 CG ASN A 20 -7.904 8.521 -3.661 1.00 73.31 C ATOM 272 OD1 ASN A 20 -7.022 9.300 -4.008 1.00 55.12 O ATOM 273 ND2 ASN A 20 -7.571 7.313 -3.248 1.00 73.23 N ATOM 0 H ASN A 20 -11.755 9.398 -3.836 1.00 1.35 H new ATOM 0 HA ASN A 20 -9.976 7.808 -5.368 1.00 0.45 H new ATOM 0 HB2 ASN A 20 -9.467 9.914 -4.121 1.00 41.34 H new ATOM 0 HB3 ASN A 20 -9.697 9.050 -2.613 1.00 41.34 H new ATOM 0 HD21 ASN A 20 -6.590 7.036 -3.220 1.00 73.23 H new ATOM 0 HD22 ASN A 20 -8.295 6.656 -2.957 1.00 73.23 H new ATOM 279 N VAL A 21 -10.730 5.565 -4.420 1.00 20.15 N ATOM 280 CA VAL A 21 -10.750 4.170 -3.999 1.00 15.45 C ATOM 281 C VAL A 21 -9.312 3.638 -3.988 1.00 13.13 C ATOM 282 O VAL A 21 -8.505 3.997 -4.849 1.00 21.41 O ATOM 283 CB VAL A 21 -11.681 3.408 -4.957 1.00 40.42 C ATOM 284 CG1 VAL A 21 -11.609 1.881 -4.829 1.00 40.24 C ATOM 285 CG2 VAL A 21 -13.151 3.792 -4.711 1.00 12.15 C ATOM 0 H VAL A 21 -11.017 5.682 -5.392 1.00 20.15 H new ATOM 0 HA VAL A 21 -11.137 4.042 -2.988 1.00 15.45 H new ATOM 0 HB VAL A 21 -11.334 3.695 -5.950 1.00 40.42 H new ATOM 0 HG11 VAL A 21 -12.297 1.423 -5.540 1.00 40.24 H new ATOM 0 HG12 VAL A 21 -10.593 1.546 -5.039 1.00 40.24 H new ATOM 0 HG13 VAL A 21 -11.886 1.587 -3.816 1.00 40.24 H new ATOM 0 HG21 VAL A 21 -13.791 3.241 -5.400 1.00 12.15 H new ATOM 0 HG22 VAL A 21 -13.425 3.545 -3.685 1.00 12.15 H new ATOM 0 HG23 VAL A 21 -13.280 4.862 -4.874 1.00 12.15 H new ATOM 295 N LEU A 22 -8.992 2.773 -3.023 1.00 62.30 N ATOM 296 CA LEU A 22 -7.671 2.163 -2.907 1.00 4.41 C ATOM 297 C LEU A 22 -7.439 1.116 -4.015 1.00 73.00 C ATOM 298 O LEU A 22 -8.407 0.495 -4.476 1.00 23.45 O ATOM 299 CB LEU A 22 -7.533 1.456 -1.547 1.00 14.22 C ATOM 300 CG LEU A 22 -7.669 2.334 -0.288 1.00 71.04 C ATOM 301 CD1 LEU A 22 -7.628 1.459 0.972 1.00 21.21 C ATOM 302 CD2 LEU A 22 -6.586 3.410 -0.194 1.00 60.31 C ATOM 0 H LEU A 22 -9.646 2.477 -2.299 1.00 62.30 H new ATOM 0 HA LEU A 22 -6.935 2.961 -3.002 1.00 4.41 H new ATOM 0 HB2 LEU A 22 -8.286 0.670 -1.495 1.00 14.22 H new ATOM 0 HB3 LEU A 22 -6.559 0.967 -1.516 1.00 14.22 H new ATOM 0 HG LEU A 22 -8.630 2.843 -0.364 1.00 71.04 H new ATOM 0 HD11 LEU A 22 -7.725 2.089 1.856 1.00 21.21 H new ATOM 0 HD12 LEU A 22 -8.450 0.743 0.945 1.00 21.21 H new ATOM 0 HD13 LEU A 22 -6.680 0.922 1.011 1.00 21.21 H new ATOM 0 HD21 LEU A 22 -6.734 3.997 0.713 1.00 60.31 H new ATOM 0 HD22 LEU A 22 -5.605 2.937 -0.164 1.00 60.31 H new ATOM 0 HD23 LEU A 22 -6.647 4.065 -1.063 1.00 60.31 H new ATOM 313 N PRO A 23 -6.182 0.853 -4.416 1.00 63.34 N ATOM 314 CA PRO A 23 -5.829 -0.298 -5.244 1.00 53.31 C ATOM 315 C PRO A 23 -6.186 -1.649 -4.586 1.00 11.21 C ATOM 316 O PRO A 23 -6.489 -1.705 -3.386 1.00 24.42 O ATOM 317 CB PRO A 23 -4.328 -0.182 -5.548 1.00 60.24 C ATOM 318 CG PRO A 23 -3.826 1.068 -4.837 1.00 11.25 C ATOM 319 CD PRO A 23 -5.053 1.752 -4.247 1.00 54.14 C ATOM 0 HA PRO A 23 -6.413 -0.285 -6.164 1.00 53.31 H new ATOM 0 HB2 PRO A 23 -3.794 -1.066 -5.198 1.00 60.24 H new ATOM 0 HB3 PRO A 23 -4.156 -0.110 -6.622 1.00 60.24 H new ATOM 0 HG2 PRO A 23 -3.112 0.809 -4.055 1.00 11.25 H new ATOM 0 HG3 PRO A 23 -3.310 1.729 -5.533 1.00 11.25 H new ATOM 0 HD2 PRO A 23 -4.896 1.975 -3.192 1.00 54.14 H new ATOM 0 HD3 PRO A 23 -5.241 2.701 -4.749 1.00 54.14 H new ATOM 324 N PRO A 24 -6.163 -2.748 -5.365 1.00 52.23 N ATOM 325 CA PRO A 24 -6.484 -4.089 -4.881 1.00 13.34 C ATOM 326 C PRO A 24 -5.382 -4.656 -3.972 1.00 14.11 C ATOM 327 O PRO A 24 -4.231 -4.211 -4.006 1.00 3.35 O ATOM 328 CB PRO A 24 -6.654 -4.929 -6.154 1.00 52.24 C ATOM 329 CG PRO A 24 -5.730 -4.248 -7.159 1.00 20.03 C ATOM 330 CD PRO A 24 -5.885 -2.778 -6.798 1.00 40.51 C ATOM 0 HA PRO A 24 -7.381 -4.090 -4.262 1.00 13.34 H new ATOM 0 HB2 PRO A 24 -6.371 -5.969 -5.989 1.00 52.24 H new ATOM 0 HB3 PRO A 24 -7.688 -4.931 -6.498 1.00 52.24 H new ATOM 0 HG2 PRO A 24 -4.699 -4.585 -7.057 1.00 20.03 H new ATOM 0 HG3 PRO A 24 -6.030 -4.448 -8.188 1.00 20.03 H new ATOM 0 HD2 PRO A 24 -4.978 -2.220 -7.032 1.00 40.51 H new ATOM 0 HD3 PRO A 24 -6.696 -2.320 -7.364 1.00 40.51 H new ATOM 335 N THR A 25 -5.708 -5.718 -3.233 1.00 15.41 N ATOM 336 CA THR A 25 -4.773 -6.414 -2.346 1.00 12.53 C ATOM 337 C THR A 25 -4.896 -7.939 -2.520 1.00 54.12 C ATOM 338 O THR A 25 -5.997 -8.411 -2.832 1.00 74.24 O ATOM 339 CB THR A 25 -4.989 -5.960 -0.881 1.00 2.52 C ATOM 340 OG1 THR A 25 -6.156 -5.180 -0.653 1.00 12.43 O ATOM 341 CG2 THR A 25 -3.825 -5.080 -0.428 1.00 12.42 C ATOM 0 H THR A 25 -6.643 -6.125 -3.234 1.00 15.41 H new ATOM 0 HA THR A 25 -3.751 -6.149 -2.617 1.00 12.53 H new ATOM 0 HB THR A 25 -5.080 -6.896 -0.330 1.00 2.52 H new ATOM 0 HG1 THR A 25 -6.210 -4.942 0.296 1.00 12.43 H new ATOM 0 HG21 THR A 25 -3.986 -4.766 0.603 1.00 12.42 H new ATOM 0 HG22 THR A 25 -2.895 -5.644 -0.494 1.00 12.42 H new ATOM 0 HG23 THR A 25 -3.762 -4.201 -1.069 1.00 12.42 H new ATOM 349 N PRO A 26 -3.820 -8.724 -2.295 1.00 43.33 N ATOM 350 CA PRO A 26 -3.800 -10.156 -2.586 1.00 32.12 C ATOM 351 C PRO A 26 -4.757 -10.887 -1.642 1.00 44.54 C ATOM 352 O PRO A 26 -4.880 -10.525 -0.470 1.00 4.25 O ATOM 353 CB PRO A 26 -2.346 -10.627 -2.389 1.00 54.54 C ATOM 354 CG PRO A 26 -1.742 -9.569 -1.467 1.00 60.11 C ATOM 355 CD PRO A 26 -2.562 -8.301 -1.700 1.00 64.00 C ATOM 0 HA PRO A 26 -4.128 -10.368 -3.604 1.00 32.12 H new ATOM 0 HB2 PRO A 26 -2.304 -11.619 -1.940 1.00 54.54 H new ATOM 0 HB3 PRO A 26 -1.812 -10.683 -3.337 1.00 54.54 H new ATOM 0 HG2 PRO A 26 -1.794 -9.883 -0.424 1.00 60.11 H new ATOM 0 HG3 PRO A 26 -0.690 -9.403 -1.698 1.00 60.11 H new ATOM 0 HD2 PRO A 26 -2.735 -7.773 -0.762 1.00 64.00 H new ATOM 0 HD3 PRO A 26 -2.033 -7.613 -2.360 1.00 64.00 H new ATOM 360 N LYS A 27 -5.393 -11.962 -2.118 1.00 34.11 N ATOM 361 CA LYS A 27 -6.341 -12.761 -1.338 1.00 32.11 C ATOM 362 C LYS A 27 -5.627 -13.675 -0.344 1.00 54.22 C ATOM 363 O LYS A 27 -5.869 -14.884 -0.307 1.00 52.50 O ATOM 364 CB LYS A 27 -7.312 -13.536 -2.248 1.00 0.34 C ATOM 365 CG LYS A 27 -6.614 -14.452 -3.262 1.00 43.24 C ATOM 366 CD LYS A 27 -7.607 -15.470 -3.837 1.00 41.12 C ATOM 367 CE LYS A 27 -7.015 -16.172 -5.062 1.00 64.02 C ATOM 368 NZ LYS A 27 -7.930 -17.195 -5.615 1.00 72.41 N ATOM 0 H LYS A 27 -5.261 -12.306 -3.069 1.00 34.11 H new ATOM 0 HA LYS A 27 -6.943 -12.069 -0.750 1.00 32.11 H new ATOM 0 HB2 LYS A 27 -7.976 -14.137 -1.627 1.00 0.34 H new ATOM 0 HB3 LYS A 27 -7.937 -12.824 -2.786 1.00 0.34 H new ATOM 0 HG2 LYS A 27 -6.188 -13.855 -4.068 1.00 43.24 H new ATOM 0 HG3 LYS A 27 -5.787 -14.974 -2.781 1.00 43.24 H new ATOM 0 HD2 LYS A 27 -7.860 -16.208 -3.076 1.00 41.12 H new ATOM 0 HD3 LYS A 27 -8.533 -14.966 -4.113 1.00 41.12 H new ATOM 0 HE2 LYS A 27 -6.793 -15.432 -5.831 1.00 64.02 H new ATOM 0 HE3 LYS A 27 -6.070 -16.642 -4.789 1.00 64.02 H new ATOM 0 HZ1 LYS A 27 -7.489 -17.645 -6.443 1.00 72.41 H new ATOM 0 HZ2 LYS A 27 -8.123 -17.916 -4.891 1.00 72.41 H new ATOM 0 HZ3 LYS A 27 -8.823 -16.744 -5.901 1.00 72.41 H new ATOM 378 N ASN A 28 -4.727 -13.123 0.459 1.00 20.15 N ATOM 379 CA ASN A 28 -4.027 -13.853 1.489 1.00 24.11 C ATOM 380 C ASN A 28 -4.068 -13.074 2.795 1.00 14.51 C ATOM 381 O ASN A 28 -4.176 -13.687 3.855 1.00 44.51 O ATOM 382 CB ASN A 28 -2.584 -14.146 1.058 1.00 3.11 C ATOM 383 CG ASN A 28 -2.516 -15.273 0.036 1.00 41.31 C ATOM 384 OD1 ASN A 28 -2.864 -16.414 0.323 1.00 73.30 O ATOM 385 ND2 ASN A 28 -2.098 -14.989 -1.185 1.00 64.20 N ATOM 0 H ASN A 28 -4.464 -12.139 0.406 1.00 20.15 H new ATOM 0 HA ASN A 28 -4.523 -14.811 1.646 1.00 24.11 H new ATOM 0 HB2 ASN A 28 -2.141 -13.244 0.635 1.00 3.11 H new ATOM 0 HB3 ASN A 28 -1.991 -14.412 1.933 1.00 3.11 H new ATOM 0 HD21 ASN A 28 -2.063 -15.720 -1.895 1.00 64.20 H new ATOM 0 HD22 ASN A 28 -1.810 -14.038 -1.417 1.00 64.20 H new ATOM 391 N ILE A 29 -3.982 -11.737 2.737 1.00 1.15 N ATOM 392 CA ILE A 29 -3.968 -10.858 3.903 1.00 23.23 C ATOM 393 C ILE A 29 -4.656 -9.532 3.511 1.00 22.01 C ATOM 394 O ILE A 29 -4.815 -9.274 2.314 1.00 61.24 O ATOM 395 CB ILE A 29 -2.517 -10.625 4.412 1.00 1.44 C ATOM 396 CG1 ILE A 29 -1.642 -9.657 3.595 1.00 51.32 C ATOM 397 CG2 ILE A 29 -1.734 -11.920 4.623 1.00 32.25 C ATOM 398 CD1 ILE A 29 -1.102 -10.183 2.273 1.00 71.30 C ATOM 0 H ILE A 29 -3.919 -11.230 1.854 1.00 1.15 H new ATOM 0 HA ILE A 29 -4.511 -11.320 4.727 1.00 23.23 H new ATOM 0 HB ILE A 29 -2.713 -10.136 5.366 1.00 1.44 H new ATOM 0 HG12 ILE A 29 -2.225 -8.758 3.392 1.00 51.32 H new ATOM 0 HG13 ILE A 29 -0.797 -9.356 4.214 1.00 51.32 H new ATOM 0 HG21 ILE A 29 -0.731 -11.685 4.978 1.00 32.25 H new ATOM 0 HG22 ILE A 29 -2.245 -12.538 5.361 1.00 32.25 H new ATOM 0 HG23 ILE A 29 -1.667 -12.462 3.680 1.00 32.25 H new ATOM 0 HD11 ILE A 29 -0.502 -9.411 1.792 1.00 71.30 H new ATOM 0 HD12 ILE A 29 -0.483 -11.061 2.456 1.00 71.30 H new ATOM 0 HD13 ILE A 29 -1.933 -10.454 1.622 1.00 71.30 H new ATOM 409 N PRO A 30 -5.047 -8.679 4.472 1.00 4.51 N ATOM 410 CA PRO A 30 -5.602 -7.353 4.194 1.00 31.12 C ATOM 411 C PRO A 30 -4.500 -6.300 3.967 1.00 4.55 C ATOM 412 O PRO A 30 -3.343 -6.551 4.298 1.00 4.23 O ATOM 413 CB PRO A 30 -6.405 -7.043 5.456 1.00 74.12 C ATOM 414 CG PRO A 30 -5.600 -7.695 6.574 1.00 62.20 C ATOM 415 CD PRO A 30 -5.094 -8.967 5.902 1.00 52.12 C ATOM 0 HA PRO A 30 -6.199 -7.333 3.282 1.00 31.12 H new ATOM 0 HB2 PRO A 30 -6.506 -5.969 5.611 1.00 74.12 H new ATOM 0 HB3 PRO A 30 -7.413 -7.453 5.398 1.00 74.12 H new ATOM 0 HG2 PRO A 30 -4.782 -7.059 6.912 1.00 62.20 H new ATOM 0 HG3 PRO A 30 -6.216 -7.912 7.447 1.00 62.20 H new ATOM 0 HD2 PRO A 30 -4.108 -9.240 6.277 1.00 52.12 H new ATOM 0 HD3 PRO A 30 -5.757 -9.807 6.109 1.00 52.12 H new ATOM 420 N LEU A 31 -4.840 -5.090 3.500 1.00 43.53 N ATOM 421 CA LEU A 31 -3.923 -3.948 3.334 1.00 2.54 C ATOM 422 C LEU A 31 -2.972 -3.711 4.522 1.00 74.30 C ATOM 423 O LEU A 31 -1.757 -3.672 4.302 1.00 1.11 O ATOM 424 CB LEU A 31 -4.731 -2.693 2.945 1.00 64.02 C ATOM 425 CG LEU A 31 -3.957 -1.381 2.691 1.00 0.21 C ATOM 426 CD1 LEU A 31 -3.642 -0.614 3.983 1.00 53.44 C ATOM 427 CD2 LEU A 31 -2.694 -1.565 1.833 1.00 0.14 C ATOM 0 H LEU A 31 -5.795 -4.870 3.217 1.00 43.53 H new ATOM 0 HA LEU A 31 -3.242 -4.196 2.520 1.00 2.54 H new ATOM 0 HB2 LEU A 31 -5.297 -2.927 2.043 1.00 64.02 H new ATOM 0 HB3 LEU A 31 -5.456 -2.505 3.736 1.00 64.02 H new ATOM 0 HG LEU A 31 -4.643 -0.768 2.106 1.00 0.21 H new ATOM 0 HD11 LEU A 31 -3.097 0.299 3.741 1.00 53.44 H new ATOM 0 HD12 LEU A 31 -4.572 -0.358 4.490 1.00 53.44 H new ATOM 0 HD13 LEU A 31 -3.032 -1.238 4.637 1.00 53.44 H new ATOM 0 HD21 LEU A 31 -2.203 -0.601 1.697 1.00 0.14 H new ATOM 0 HD22 LEU A 31 -2.012 -2.253 2.333 1.00 0.14 H new ATOM 0 HD23 LEU A 31 -2.971 -1.972 0.860 1.00 0.14 H new ATOM 438 N PRO A 32 -3.439 -3.556 5.775 1.00 52.40 N ATOM 439 CA PRO A 32 -2.549 -3.327 6.911 1.00 72.34 C ATOM 440 C PRO A 32 -1.688 -4.548 7.273 1.00 20.11 C ATOM 441 O PRO A 32 -0.906 -4.469 8.215 1.00 62.24 O ATOM 442 CB PRO A 32 -3.452 -2.881 8.062 1.00 62.20 C ATOM 443 CG PRO A 32 -4.779 -3.548 7.733 1.00 41.40 C ATOM 444 CD PRO A 32 -4.823 -3.443 6.210 1.00 4.32 C ATOM 0 HA PRO A 32 -1.809 -2.564 6.667 1.00 72.34 H new ATOM 0 HB2 PRO A 32 -3.065 -3.206 9.028 1.00 62.20 H new ATOM 0 HB3 PRO A 32 -3.545 -1.796 8.105 1.00 62.20 H new ATOM 0 HG2 PRO A 32 -4.809 -4.584 8.071 1.00 41.40 H new ATOM 0 HG3 PRO A 32 -5.620 -3.036 8.201 1.00 41.40 H new ATOM 0 HD2 PRO A 32 -5.436 -4.235 5.779 1.00 4.32 H new ATOM 0 HD3 PRO A 32 -5.258 -2.495 5.894 1.00 4.32 H new ATOM 449 N ALA A 33 -1.777 -5.670 6.560 1.00 40.13 N ATOM 450 CA ALA A 33 -0.809 -6.753 6.630 1.00 34.24 C ATOM 451 C ALA A 33 0.052 -6.746 5.376 1.00 55.41 C ATOM 452 O ALA A 33 1.269 -6.836 5.502 1.00 44.34 O ATOM 453 CB ALA A 33 -1.544 -8.069 6.811 1.00 35.24 C ATOM 0 H ALA A 33 -2.539 -5.851 5.907 1.00 40.13 H new ATOM 0 HA ALA A 33 -0.146 -6.620 7.485 1.00 34.24 H new ATOM 0 HB1 ALA A 33 -0.823 -8.884 6.864 1.00 35.24 H new ATOM 0 HB2 ALA A 33 -2.125 -8.038 7.733 1.00 35.24 H new ATOM 0 HB3 ALA A 33 -2.213 -8.231 5.966 1.00 35.24 H new ATOM 459 N PHE A 34 -0.555 -6.550 4.196 1.00 33.02 N ATOM 460 CA PHE A 34 0.124 -6.566 2.902 1.00 73.42 C ATOM 461 C PHE A 34 1.262 -5.549 2.806 1.00 75.03 C ATOM 462 O PHE A 34 2.167 -5.709 1.993 1.00 34.32 O ATOM 463 CB PHE A 34 -0.861 -6.356 1.740 1.00 73.10 C ATOM 464 CG PHE A 34 -0.184 -6.396 0.376 1.00 72.11 C ATOM 465 CD1 PHE A 34 0.646 -7.481 0.023 1.00 20.02 C ATOM 466 CD2 PHE A 34 -0.277 -5.290 -0.495 1.00 72.33 C ATOM 467 CE1 PHE A 34 1.357 -7.452 -1.186 1.00 40.20 C ATOM 468 CE2 PHE A 34 0.426 -5.271 -1.709 1.00 42.32 C ATOM 469 CZ PHE A 34 1.249 -6.352 -2.055 1.00 32.12 C ATOM 0 H PHE A 34 -1.556 -6.372 4.119 1.00 33.02 H new ATOM 0 HA PHE A 34 0.565 -7.559 2.820 1.00 73.42 H new ATOM 0 HB2 PHE A 34 -1.632 -7.125 1.780 1.00 73.10 H new ATOM 0 HB3 PHE A 34 -1.362 -5.396 1.864 1.00 73.10 H new ATOM 0 HD1 PHE A 34 0.734 -8.332 0.682 1.00 20.02 H new ATOM 0 HD2 PHE A 34 -0.897 -4.448 -0.224 1.00 72.33 H new ATOM 0 HE1 PHE A 34 1.994 -8.283 -1.452 1.00 40.20 H new ATOM 0 HE2 PHE A 34 0.333 -4.426 -2.375 1.00 42.32 H new ATOM 0 HZ PHE A 34 1.798 -6.340 -2.985 1.00 32.12 H new ATOM 478 N GLY A 35 1.246 -4.522 3.646 1.00 12.53 N ATOM 479 CA GLY A 35 2.438 -3.773 3.949 1.00 13.42 C ATOM 480 C GLY A 35 3.060 -4.406 5.166 1.00 63.22 C ATOM 481 O GLY A 35 4.013 -5.165 5.023 1.00 51.14 O ATOM 0 H GLY A 35 0.409 -4.194 4.128 1.00 12.53 H new ATOM 0 HA2 GLY A 35 3.130 -3.794 3.107 1.00 13.42 H new ATOM 0 HA3 GLY A 35 2.198 -2.727 4.139 1.00 13.42 H new ATOM 485 N GLN A 36 2.564 -4.028 6.346 1.00 1.31 N ATOM 486 CA GLN A 36 3.221 -4.039 7.662 1.00 35.21 C ATOM 487 C GLN A 36 3.950 -5.338 8.055 1.00 13.32 C ATOM 488 O GLN A 36 4.814 -5.282 8.928 1.00 72.33 O ATOM 489 CB GLN A 36 2.191 -3.682 8.752 1.00 53.54 C ATOM 490 CG GLN A 36 1.418 -2.371 8.485 1.00 63.42 C ATOM 491 CD GLN A 36 0.270 -2.087 9.456 1.00 2.22 C ATOM 492 OE1 GLN A 36 0.106 -2.717 10.508 1.00 40.43 O ATOM 493 NE2 GLN A 36 -0.593 -1.153 9.085 1.00 55.31 N ATOM 0 H GLN A 36 1.609 -3.675 6.415 1.00 1.31 H new ATOM 0 HA GLN A 36 4.012 -3.294 7.579 1.00 35.21 H new ATOM 0 HB2 GLN A 36 1.477 -4.500 8.843 1.00 53.54 H new ATOM 0 HB3 GLN A 36 2.705 -3.599 9.710 1.00 53.54 H new ATOM 0 HG2 GLN A 36 2.121 -1.539 8.524 1.00 63.42 H new ATOM 0 HG3 GLN A 36 1.017 -2.403 7.472 1.00 63.42 H new ATOM 0 HE21 GLN A 36 -0.447 -0.640 8.215 1.00 55.31 H new ATOM 0 HE22 GLN A 36 -1.403 -0.947 9.669 1.00 55.31 H new ATOM 500 N ARG A 37 3.628 -6.491 7.458 1.00 20.01 N ATOM 501 CA ARG A 37 4.209 -7.794 7.813 1.00 60.23 C ATOM 502 C ARG A 37 4.806 -8.522 6.608 1.00 14.14 C ATOM 503 O ARG A 37 5.028 -9.731 6.655 1.00 34.34 O ATOM 504 CB ARG A 37 3.144 -8.621 8.546 1.00 40.30 C ATOM 505 CG ARG A 37 2.897 -8.000 9.926 1.00 3.23 C ATOM 506 CD ARG A 37 2.021 -8.886 10.803 1.00 33.23 C ATOM 507 NE ARG A 37 2.172 -8.485 12.208 1.00 61.43 N ATOM 508 CZ ARG A 37 1.857 -9.231 13.268 1.00 52.43 C ATOM 509 NH1 ARG A 37 0.997 -10.238 13.150 1.00 24.25 N ATOM 510 NH2 ARG A 37 2.419 -8.954 14.435 1.00 60.20 N ATOM 0 H ARG A 37 2.945 -6.548 6.702 1.00 20.01 H new ATOM 0 HA ARG A 37 5.056 -7.638 8.482 1.00 60.23 H new ATOM 0 HB2 ARG A 37 2.219 -8.640 7.970 1.00 40.30 H new ATOM 0 HB3 ARG A 37 3.475 -9.654 8.651 1.00 40.30 H new ATOM 0 HG2 ARG A 37 3.852 -7.829 10.423 1.00 3.23 H new ATOM 0 HG3 ARG A 37 2.422 -7.026 9.806 1.00 3.23 H new ATOM 0 HD2 ARG A 37 0.978 -8.800 10.499 1.00 33.23 H new ATOM 0 HD3 ARG A 37 2.303 -9.932 10.680 1.00 33.23 H new ATOM 0 HE ARG A 37 2.551 -7.555 12.389 1.00 61.43 H new ATOM 0 HH11 ARG A 37 0.574 -10.444 12.245 1.00 24.25 H new ATOM 0 HH12 ARG A 37 0.760 -10.805 13.964 1.00 24.25 H new ATOM 0 HH21 ARG A 37 3.080 -8.181 14.512 1.00 60.20 H new ATOM 0 HH22 ARG A 37 2.190 -9.513 15.257 1.00 60.20 H new ATOM 521 N ILE A 38 5.028 -7.793 5.520 1.00 62.33 N ATOM 522 CA ILE A 38 5.461 -8.282 4.223 1.00 64.30 C ATOM 523 C ILE A 38 6.620 -7.391 3.764 1.00 32.13 C ATOM 524 O ILE A 38 7.715 -7.874 3.479 1.00 52.22 O ATOM 525 CB ILE A 38 4.247 -8.255 3.260 1.00 43.53 C ATOM 526 CG1 ILE A 38 3.017 -9.034 3.770 1.00 53.40 C ATOM 527 CG2 ILE A 38 4.603 -8.712 1.838 1.00 21.45 C ATOM 528 CD1 ILE A 38 3.158 -10.546 3.824 1.00 41.22 C ATOM 0 H ILE A 38 4.901 -6.781 5.524 1.00 62.33 H new ATOM 0 HA ILE A 38 5.819 -9.311 4.254 1.00 64.30 H new ATOM 0 HB ILE A 38 3.967 -7.202 3.227 1.00 43.53 H new ATOM 0 HG12 ILE A 38 2.775 -8.676 4.771 1.00 53.40 H new ATOM 0 HG13 ILE A 38 2.168 -8.791 3.131 1.00 53.40 H new ATOM 0 HG21 ILE A 38 3.713 -8.672 1.210 1.00 21.45 H new ATOM 0 HG22 ILE A 38 5.369 -8.055 1.426 1.00 21.45 H new ATOM 0 HG23 ILE A 38 4.980 -9.734 1.868 1.00 21.45 H new ATOM 0 HD11 ILE A 38 2.233 -10.985 4.197 1.00 41.22 H new ATOM 0 HD12 ILE A 38 3.363 -10.928 2.824 1.00 41.22 H new ATOM 0 HD13 ILE A 38 3.980 -10.811 4.489 1.00 41.22 H new ATOM 539 N ILE A 39 6.360 -6.087 3.679 1.00 54.53 N ATOM 540 CA ILE A 39 7.201 -5.100 3.017 1.00 52.51 C ATOM 541 C ILE A 39 8.300 -4.560 3.958 1.00 51.11 C ATOM 542 O ILE A 39 9.337 -4.118 3.464 1.00 3.21 O ATOM 543 CB ILE A 39 6.263 -4.013 2.422 1.00 0.53 C ATOM 544 CG1 ILE A 39 5.216 -4.561 1.428 1.00 75.40 C ATOM 545 CG2 ILE A 39 7.026 -2.878 1.744 1.00 44.50 C ATOM 546 CD1 ILE A 39 5.764 -5.267 0.186 1.00 21.45 C ATOM 0 H ILE A 39 5.521 -5.676 4.088 1.00 54.53 H new ATOM 0 HA ILE A 39 7.765 -5.546 2.198 1.00 52.51 H new ATOM 0 HB ILE A 39 5.736 -3.628 3.295 1.00 0.53 H new ATOM 0 HG12 ILE A 39 4.571 -5.259 1.961 1.00 75.40 H new ATOM 0 HG13 ILE A 39 4.588 -3.732 1.101 1.00 75.40 H new ATOM 0 HG21 ILE A 39 6.318 -2.150 1.348 1.00 44.50 H new ATOM 0 HG22 ILE A 39 7.678 -2.393 2.471 1.00 44.50 H new ATOM 0 HG23 ILE A 39 7.627 -3.280 0.929 1.00 44.50 H new ATOM 0 HD11 ILE A 39 4.935 -5.607 -0.435 1.00 21.45 H new ATOM 0 HD12 ILE A 39 6.383 -4.574 -0.383 1.00 21.45 H new ATOM 0 HD13 ILE A 39 6.365 -6.124 0.490 1.00 21.45 H new ATOM 557 N GLY A 40 8.106 -4.610 5.283 1.00 33.01 N ATOM 558 CA GLY A 40 9.083 -4.176 6.290 1.00 20.01 C ATOM 559 C GLY A 40 8.994 -2.683 6.640 1.00 54.40 C ATOM 560 O GLY A 40 9.825 -2.164 7.386 1.00 11.21 O ATOM 0 H GLY A 40 7.242 -4.963 5.695 1.00 33.01 H new ATOM 0 HA2 GLY A 40 8.939 -4.761 7.198 1.00 20.01 H new ATOM 0 HA3 GLY A 40 10.087 -4.395 5.926 1.00 20.01 H new ATOM 564 N TRP A 41 7.986 -1.984 6.113 1.00 22.31 N ATOM 565 CA TRP A 41 7.856 -0.536 6.073 1.00 73.33 C ATOM 566 C TRP A 41 7.221 0.068 7.322 1.00 33.32 C ATOM 567 O TRP A 41 6.809 1.232 7.273 1.00 43.51 O ATOM 568 CB TRP A 41 7.141 -0.115 4.765 1.00 61.42 C ATOM 569 CG TRP A 41 5.656 -0.318 4.602 1.00 24.14 C ATOM 570 CD1 TRP A 41 4.790 -0.676 5.572 1.00 44.44 C ATOM 571 CD2 TRP A 41 4.834 -0.170 3.403 1.00 64.33 C ATOM 572 NE1 TRP A 41 3.504 -0.707 5.090 1.00 23.13 N ATOM 573 CE2 TRP A 41 3.480 -0.458 3.740 1.00 71.21 C ATOM 574 CE3 TRP A 41 5.085 0.155 2.056 1.00 60.11 C ATOM 575 CZ2 TRP A 41 2.449 -0.474 2.794 1.00 23.23 C ATOM 576 CZ3 TRP A 41 4.062 0.115 1.088 1.00 22.44 C ATOM 577 CH2 TRP A 41 2.741 -0.201 1.451 1.00 42.30 C ATOM 0 H TRP A 41 7.191 -2.450 5.676 1.00 22.31 H new ATOM 0 HA TRP A 41 8.862 -0.117 6.071 1.00 73.33 H new ATOM 0 HB2 TRP A 41 7.338 0.947 4.619 1.00 61.42 H new ATOM 0 HB3 TRP A 41 7.629 -0.645 3.947 1.00 61.42 H new ATOM 0 HD1 TRP A 41 5.070 -0.907 6.589 1.00 44.44 H new ATOM 0 HE1 TRP A 41 2.678 -0.890 5.659 1.00 23.13 H new ATOM 0 HE3 TRP A 41 6.083 0.441 1.759 1.00 60.11 H new ATOM 0 HZ2 TRP A 41 1.436 -0.695 3.097 1.00 23.23 H new ATOM 0 HZ3 TRP A 41 4.295 0.329 0.056 1.00 22.44 H new ATOM 0 HH2 TRP A 41 1.961 -0.233 0.704 1.00 42.30 H new ATOM 587 N GLY A 42 7.055 -0.693 8.404 1.00 14.31 N ATOM 588 CA GLY A 42 6.404 -0.256 9.626 1.00 35.03 C ATOM 589 C GLY A 42 5.044 0.322 9.281 1.00 12.12 C ATOM 590 O GLY A 42 4.227 -0.378 8.678 1.00 22.42 O ATOM 0 H GLY A 42 7.382 -1.658 8.449 1.00 14.31 H new ATOM 0 HA2 GLY A 42 6.293 -1.094 10.314 1.00 35.03 H new ATOM 0 HA3 GLY A 42 7.014 0.493 10.131 1.00 35.03 H new ATOM 594 N THR A 43 4.807 1.600 9.595 1.00 21.12 N ATOM 595 CA THR A 43 3.486 2.168 9.280 1.00 75.42 C ATOM 596 C THR A 43 3.383 3.680 9.117 1.00 22.24 C ATOM 597 O THR A 43 2.291 4.230 8.962 1.00 13.42 O ATOM 598 CB THR A 43 2.471 1.748 10.375 1.00 75.21 C ATOM 599 OG1 THR A 43 2.784 0.580 11.112 1.00 20.24 O ATOM 600 CG2 THR A 43 1.096 1.534 9.767 1.00 13.21 C ATOM 0 H THR A 43 5.469 2.234 10.042 1.00 21.12 H new ATOM 0 HA THR A 43 3.273 1.760 8.292 1.00 75.42 H new ATOM 0 HB THR A 43 2.507 2.581 11.077 1.00 75.21 H new ATOM 0 HG1 THR A 43 2.080 0.411 11.772 1.00 20.24 H new ATOM 0 HG21 THR A 43 0.395 1.240 10.548 1.00 13.21 H new ATOM 0 HG22 THR A 43 0.755 2.460 9.303 1.00 13.21 H new ATOM 0 HG23 THR A 43 1.150 0.749 9.013 1.00 13.21 H new ATOM 608 N GLY A 44 4.504 4.356 9.016 1.00 14.33 N ATOM 609 CA GLY A 44 4.509 5.731 9.496 1.00 64.41 C ATOM 610 C GLY A 44 5.798 6.414 9.139 1.00 3.33 C ATOM 611 O GLY A 44 6.563 6.789 10.028 1.00 3.42 O ATOM 0 H GLY A 44 5.382 4.008 8.630 1.00 14.33 H new ATOM 0 HA2 GLY A 44 3.671 6.276 9.062 1.00 64.41 H new ATOM 0 HA3 GLY A 44 4.372 5.744 10.577 1.00 64.41 H new ATOM 615 N ALA A 45 6.013 6.535 7.828 1.00 22.43 N ATOM 616 CA ALA A 45 7.150 7.185 7.170 1.00 55.14 C ATOM 617 C ALA A 45 8.483 6.493 7.507 1.00 20.32 C ATOM 618 O ALA A 45 9.043 5.808 6.652 1.00 33.24 O ATOM 619 CB ALA A 45 7.162 8.695 7.460 1.00 13.41 C ATOM 0 H ALA A 45 5.352 6.155 7.150 1.00 22.43 H new ATOM 0 HA ALA A 45 7.027 7.073 6.093 1.00 55.14 H new ATOM 0 HB1 ALA A 45 8.015 9.155 6.961 1.00 13.41 H new ATOM 0 HB2 ALA A 45 6.240 9.144 7.090 1.00 13.41 H new ATOM 0 HB3 ALA A 45 7.239 8.858 8.535 1.00 13.41 H new ATOM 625 N GLU A 46 8.957 6.624 8.749 1.00 40.13 N ATOM 626 CA GLU A 46 10.175 6.062 9.315 1.00 34.14 C ATOM 627 C GLU A 46 10.300 4.576 8.993 1.00 0.13 C ATOM 628 O GLU A 46 11.348 4.113 8.546 1.00 51.41 O ATOM 629 CB GLU A 46 10.122 6.258 10.842 1.00 25.15 C ATOM 630 CG GLU A 46 10.382 7.691 11.324 1.00 45.41 C ATOM 631 CD GLU A 46 11.856 8.094 11.243 1.00 14.14 C ATOM 632 OE1 GLU A 46 12.485 7.880 10.186 1.00 5.35 O ATOM 633 OE2 GLU A 46 12.395 8.672 12.209 1.00 24.25 O ATOM 0 H GLU A 46 8.449 7.176 9.441 1.00 40.13 H new ATOM 0 HA GLU A 46 11.040 6.567 8.886 1.00 34.14 H new ATOM 0 HB2 GLU A 46 9.141 5.943 11.199 1.00 25.15 H new ATOM 0 HB3 GLU A 46 10.856 5.597 11.303 1.00 25.15 H new ATOM 0 HG2 GLU A 46 9.789 8.382 10.725 1.00 45.41 H new ATOM 0 HG3 GLU A 46 10.041 7.789 12.355 1.00 45.41 H new ATOM 638 N GLY A 47 9.214 3.831 9.204 1.00 51.22 N ATOM 639 CA GLY A 47 9.179 2.405 8.948 1.00 64.34 C ATOM 640 C GLY A 47 9.708 2.075 7.548 1.00 52.52 C ATOM 641 O GLY A 47 10.518 1.169 7.374 1.00 41.22 O ATOM 0 H GLY A 47 8.335 4.208 9.558 1.00 51.22 H new ATOM 0 HA2 GLY A 47 9.777 1.885 9.696 1.00 64.34 H new ATOM 0 HA3 GLY A 47 8.156 2.041 9.047 1.00 64.34 H new ATOM 645 N ALA A 48 9.225 2.820 6.546 1.00 52.21 N ATOM 646 CA ALA A 48 9.591 2.643 5.151 1.00 23.43 C ATOM 647 C ALA A 48 11.032 3.082 4.927 1.00 41.34 C ATOM 648 O ALA A 48 11.787 2.353 4.301 1.00 3.22 O ATOM 649 CB ALA A 48 8.620 3.423 4.255 1.00 53.10 C ATOM 0 H ALA A 48 8.556 3.576 6.694 1.00 52.21 H new ATOM 0 HA ALA A 48 9.520 1.588 4.888 1.00 23.43 H new ATOM 0 HB1 ALA A 48 8.899 3.287 3.210 1.00 53.10 H new ATOM 0 HB2 ALA A 48 7.606 3.055 4.410 1.00 53.10 H new ATOM 0 HB3 ALA A 48 8.664 4.483 4.507 1.00 53.10 H new ATOM 655 N ARG A 49 11.414 4.263 5.421 1.00 15.14 N ATOM 656 CA ARG A 49 12.753 4.840 5.287 1.00 44.53 C ATOM 657 C ARG A 49 13.830 3.825 5.675 1.00 34.21 C ATOM 658 O ARG A 49 14.735 3.551 4.886 1.00 42.55 O ATOM 659 CB ARG A 49 12.789 6.099 6.169 1.00 15.34 C ATOM 660 CG ARG A 49 14.133 6.829 6.251 1.00 4.15 C ATOM 661 CD ARG A 49 14.024 7.850 7.387 1.00 55.24 C ATOM 662 NE ARG A 49 15.284 8.557 7.659 1.00 30.04 N ATOM 663 CZ ARG A 49 15.752 8.888 8.871 1.00 70.44 C ATOM 664 NH1 ARG A 49 15.112 8.528 9.975 1.00 10.41 N ATOM 665 NH2 ARG A 49 16.858 9.604 8.992 1.00 44.34 N ATOM 0 H ARG A 49 10.777 4.864 5.943 1.00 15.14 H new ATOM 0 HA ARG A 49 12.964 5.109 4.252 1.00 44.53 H new ATOM 0 HB2 ARG A 49 12.041 6.799 5.797 1.00 15.34 H new ATOM 0 HB3 ARG A 49 12.489 5.819 7.179 1.00 15.34 H new ATOM 0 HG2 ARG A 49 14.942 6.125 6.443 1.00 4.15 H new ATOM 0 HG3 ARG A 49 14.359 7.326 5.308 1.00 4.15 H new ATOM 0 HD2 ARG A 49 13.253 8.579 7.137 1.00 55.24 H new ATOM 0 HD3 ARG A 49 13.699 7.340 8.294 1.00 55.24 H new ATOM 0 HE ARG A 49 15.853 8.819 6.854 1.00 30.04 H new ATOM 0 HH11 ARG A 49 14.248 7.990 9.911 1.00 10.41 H new ATOM 0 HH12 ARG A 49 15.484 8.789 10.888 1.00 10.41 H new ATOM 0 HH21 ARG A 49 17.362 9.909 8.159 1.00 44.34 H new ATOM 0 HH22 ARG A 49 17.207 9.851 9.918 1.00 44.34 H new ATOM 676 N GLN A 50 13.701 3.240 6.865 1.00 23.33 N ATOM 677 CA GLN A 50 14.662 2.330 7.447 1.00 41.13 C ATOM 678 C GLN A 50 14.712 1.002 6.692 1.00 4.21 C ATOM 679 O GLN A 50 15.692 0.268 6.833 1.00 2.32 O ATOM 680 CB GLN A 50 14.264 2.101 8.913 1.00 14.22 C ATOM 681 CG GLN A 50 14.908 3.104 9.879 1.00 74.35 C ATOM 682 CD GLN A 50 14.535 4.582 9.729 1.00 20.31 C ATOM 683 OE1 GLN A 50 15.269 5.354 9.124 1.00 75.11 O ATOM 684 NE2 GLN A 50 13.466 5.045 10.354 1.00 63.03 N ATOM 0 H GLN A 50 12.892 3.399 7.465 1.00 23.33 H new ATOM 0 HA GLN A 50 15.659 2.765 7.382 1.00 41.13 H new ATOM 0 HB2 GLN A 50 13.180 2.166 9.002 1.00 14.22 H new ATOM 0 HB3 GLN A 50 14.548 1.090 9.206 1.00 14.22 H new ATOM 0 HG2 GLN A 50 14.659 2.797 10.895 1.00 74.35 H new ATOM 0 HG3 GLN A 50 15.990 3.020 9.777 1.00 74.35 H new ATOM 0 HE21 GLN A 50 12.853 4.405 10.859 1.00 63.03 H new ATOM 0 HE22 GLN A 50 13.254 6.043 10.332 1.00 63.03 H new ATOM 691 N ARG A 51 13.712 0.682 5.865 1.00 22.42 N ATOM 692 CA ARG A 51 13.727 -0.480 4.980 1.00 15.30 C ATOM 693 C ARG A 51 13.517 -0.047 3.523 1.00 71.04 C ATOM 694 O ARG A 51 12.622 -0.556 2.845 1.00 74.01 O ATOM 695 CB ARG A 51 12.720 -1.550 5.444 1.00 64.23 C ATOM 696 CG ARG A 51 13.194 -2.510 6.535 1.00 62.11 C ATOM 697 CD ARG A 51 13.209 -1.911 7.946 1.00 52.33 C ATOM 698 NE ARG A 51 12.887 -2.944 8.944 1.00 11.44 N ATOM 699 CZ ARG A 51 13.596 -4.051 9.184 1.00 35.10 C ATOM 700 NH1 ARG A 51 14.832 -4.174 8.731 1.00 63.24 N ATOM 701 NH2 ARG A 51 13.067 -5.055 9.867 1.00 4.31 N ATOM 0 H ARG A 51 12.857 1.234 5.793 1.00 22.42 H new ATOM 0 HA ARG A 51 14.709 -0.950 5.032 1.00 15.30 H new ATOM 0 HB2 ARG A 51 11.825 -1.042 5.803 1.00 64.23 H new ATOM 0 HB3 ARG A 51 12.426 -2.140 4.576 1.00 64.23 H new ATOM 0 HG2 ARG A 51 12.549 -3.389 6.534 1.00 62.11 H new ATOM 0 HG3 ARG A 51 14.199 -2.852 6.289 1.00 62.11 H new ATOM 0 HD2 ARG A 51 14.190 -1.485 8.157 1.00 52.33 H new ATOM 0 HD3 ARG A 51 12.488 -1.096 8.010 1.00 52.33 H new ATOM 0 HE ARG A 51 12.046 -2.802 9.503 1.00 11.44 H new ATOM 0 HH11 ARG A 51 15.255 -3.419 8.191 1.00 63.24 H new ATOM 0 HH12 ARG A 51 15.363 -5.024 8.921 1.00 63.24 H new ATOM 0 HH21 ARG A 51 12.111 -4.987 10.215 1.00 4.31 H new ATOM 0 HH22 ARG A 51 13.616 -5.896 10.045 1.00 4.31 H new ATOM 712 N LEU A 52 14.326 0.903 3.035 1.00 31.01 N ATOM 713 CA LEU A 52 14.242 1.451 1.676 1.00 34.30 C ATOM 714 C LEU A 52 15.620 1.807 1.152 1.00 14.32 C ATOM 715 O LEU A 52 16.032 1.320 0.100 1.00 21.44 O ATOM 716 CB LEU A 52 13.305 2.666 1.697 1.00 3.23 C ATOM 717 CG LEU A 52 13.441 3.751 0.612 1.00 73.22 C ATOM 718 CD1 LEU A 52 13.685 3.257 -0.821 1.00 73.24 C ATOM 719 CD2 LEU A 52 12.172 4.602 0.686 1.00 60.21 C ATOM 0 H LEU A 52 15.074 1.321 3.588 1.00 31.01 H new ATOM 0 HA LEU A 52 13.835 0.703 0.996 1.00 34.30 H new ATOM 0 HB2 LEU A 52 12.283 2.290 1.656 1.00 3.23 H new ATOM 0 HB3 LEU A 52 13.426 3.155 2.664 1.00 3.23 H new ATOM 0 HG LEU A 52 14.349 4.313 0.828 1.00 73.22 H new ATOM 0 HD11 LEU A 52 13.763 4.112 -1.492 1.00 73.24 H new ATOM 0 HD12 LEU A 52 14.611 2.683 -0.855 1.00 73.24 H new ATOM 0 HD13 LEU A 52 12.854 2.624 -1.134 1.00 73.24 H new ATOM 0 HD21 LEU A 52 12.218 5.390 -0.066 1.00 60.21 H new ATOM 0 HD22 LEU A 52 11.301 3.973 0.501 1.00 60.21 H new ATOM 0 HD23 LEU A 52 12.092 5.050 1.676 1.00 60.21 H new ATOM 730 N GLU A 53 16.331 2.673 1.867 1.00 35.44 N ATOM 731 CA GLU A 53 17.624 3.228 1.446 1.00 21.13 C ATOM 732 C GLU A 53 18.770 2.216 1.582 1.00 71.12 C ATOM 733 O GLU A 53 19.938 2.563 1.414 1.00 24.30 O ATOM 734 CB GLU A 53 17.903 4.502 2.257 1.00 4.34 C ATOM 735 CG GLU A 53 16.673 5.429 2.263 1.00 71.31 C ATOM 736 CD GLU A 53 16.930 6.901 2.595 1.00 74.03 C ATOM 737 OE1 GLU A 53 17.934 7.514 2.159 1.00 32.22 O ATOM 738 OE2 GLU A 53 16.060 7.518 3.244 1.00 14.55 O ATOM 0 H GLU A 53 16.023 3.019 2.775 1.00 35.44 H new ATOM 0 HA GLU A 53 17.568 3.472 0.385 1.00 21.13 H new ATOM 0 HB2 GLU A 53 18.168 4.236 3.280 1.00 4.34 H new ATOM 0 HB3 GLU A 53 18.758 5.028 1.833 1.00 4.34 H new ATOM 0 HG2 GLU A 53 16.202 5.378 1.281 1.00 71.31 H new ATOM 0 HG3 GLU A 53 15.954 5.037 2.982 1.00 71.31 H new ATOM 743 N ASN A 54 18.420 0.977 1.905 1.00 4.44 N ATOM 744 CA ASN A 54 19.276 -0.146 2.251 1.00 40.01 C ATOM 745 C ASN A 54 18.521 -1.438 1.919 1.00 34.21 C ATOM 746 O ASN A 54 18.408 -2.341 2.749 1.00 3.33 O ATOM 747 CB ASN A 54 19.642 -0.067 3.747 1.00 61.23 C ATOM 748 CG ASN A 54 18.466 0.392 4.600 1.00 52.24 C ATOM 749 OD1 ASN A 54 18.416 1.516 5.083 1.00 63.42 O ATOM 750 ND2 ASN A 54 17.425 -0.409 4.711 1.00 15.22 N ATOM 0 H ASN A 54 17.436 0.710 1.933 1.00 4.44 H new ATOM 0 HA ASN A 54 20.206 -0.125 1.683 1.00 40.01 H new ATOM 0 HB2 ASN A 54 19.978 -1.046 4.090 1.00 61.23 H new ATOM 0 HB3 ASN A 54 20.477 0.621 3.880 1.00 61.23 H new ATOM 0 HD21 ASN A 54 16.586 -0.091 5.196 1.00 15.22 H new ATOM 0 HD22 ASN A 54 17.458 -1.347 4.311 1.00 15.22 H new ATOM 756 N ILE A 55 17.919 -1.512 0.731 1.00 33.30 N ATOM 757 CA ILE A 55 17.258 -2.737 0.281 1.00 34.20 C ATOM 758 C ILE A 55 18.317 -3.801 -0.022 1.00 43.24 C ATOM 759 O ILE A 55 19.509 -3.501 -0.098 1.00 21.23 O ATOM 760 CB ILE A 55 16.313 -2.462 -0.907 1.00 11.23 C ATOM 761 CG1 ILE A 55 15.184 -3.520 -0.970 1.00 13.12 C ATOM 762 CG2 ILE A 55 17.028 -2.413 -2.271 1.00 44.14 C ATOM 763 CD1 ILE A 55 13.852 -2.836 -1.269 1.00 13.32 C ATOM 0 H ILE A 55 17.876 -0.740 0.065 1.00 33.30 H new ATOM 0 HA ILE A 55 16.619 -3.123 1.075 1.00 34.20 H new ATOM 0 HB ILE A 55 15.898 -1.471 -0.721 1.00 11.23 H new ATOM 0 HG12 ILE A 55 15.406 -4.257 -1.742 1.00 13.12 H new ATOM 0 HG13 ILE A 55 15.123 -4.057 -0.024 1.00 13.12 H new ATOM 0 HG21 ILE A 55 16.299 -2.216 -3.057 1.00 44.14 H new ATOM 0 HG22 ILE A 55 17.775 -1.620 -2.262 1.00 44.14 H new ATOM 0 HG23 ILE A 55 17.516 -3.369 -2.460 1.00 44.14 H new ATOM 0 HD11 ILE A 55 13.060 -3.584 -1.312 1.00 13.32 H new ATOM 0 HD12 ILE A 55 13.628 -2.116 -0.482 1.00 13.32 H new ATOM 0 HD13 ILE A 55 13.915 -2.319 -2.226 1.00 13.32 H new ATOM 774 N GLN A 56 17.889 -5.049 -0.174 1.00 63.32 N ATOM 775 CA GLN A 56 18.703 -6.152 -0.650 1.00 64.15 C ATOM 776 C GLN A 56 17.873 -7.013 -1.616 1.00 60.33 C ATOM 777 O GLN A 56 16.647 -7.036 -1.485 1.00 63.44 O ATOM 778 CB GLN A 56 19.317 -6.905 0.513 1.00 53.15 C ATOM 779 CG GLN A 56 18.380 -7.153 1.679 1.00 44.25 C ATOM 780 CD GLN A 56 18.869 -6.564 3.007 1.00 44.04 C ATOM 781 OE1 GLN A 56 19.154 -7.309 3.943 1.00 61.33 O ATOM 782 NE2 GLN A 56 18.988 -5.250 3.163 1.00 20.32 N ATOM 0 H GLN A 56 16.931 -5.326 0.040 1.00 63.32 H new ATOM 0 HA GLN A 56 19.556 -5.788 -1.223 1.00 64.15 H new ATOM 0 HB2 GLN A 56 19.686 -7.865 0.151 1.00 53.15 H new ATOM 0 HB3 GLN A 56 20.181 -6.347 0.873 1.00 53.15 H new ATOM 0 HG2 GLN A 56 17.403 -6.730 1.443 1.00 44.25 H new ATOM 0 HG3 GLN A 56 18.242 -8.228 1.799 1.00 44.25 H new ATOM 0 HE21 GLN A 56 18.755 -4.622 2.394 1.00 20.32 H new ATOM 0 HE22 GLN A 56 19.313 -4.869 4.052 1.00 20.32 H new ATOM 789 N PRO A 57 18.481 -7.757 -2.558 1.00 11.34 N ATOM 790 CA PRO A 57 17.749 -8.560 -3.541 1.00 33.23 C ATOM 791 C PRO A 57 16.975 -9.723 -2.905 1.00 60.04 C ATOM 792 O PRO A 57 16.053 -10.295 -3.498 1.00 62.13 O ATOM 793 CB PRO A 57 18.808 -9.057 -4.525 1.00 34.23 C ATOM 794 CG PRO A 57 20.109 -9.033 -3.729 1.00 0.11 C ATOM 795 CD PRO A 57 19.912 -7.849 -2.784 1.00 23.22 C ATOM 0 HA PRO A 57 16.981 -7.963 -4.034 1.00 33.23 H new ATOM 0 HB2 PRO A 57 18.579 -10.061 -4.881 1.00 34.23 H new ATOM 0 HB3 PRO A 57 18.868 -8.413 -5.403 1.00 34.23 H new ATOM 0 HG2 PRO A 57 20.265 -9.963 -3.183 1.00 0.11 H new ATOM 0 HG3 PRO A 57 20.975 -8.893 -4.376 1.00 0.11 H new ATOM 0 HD2 PRO A 57 20.447 -8.004 -1.847 1.00 23.22 H new ATOM 0 HD3 PRO A 57 20.298 -6.929 -3.224 1.00 23.22 H new ATOM 800 N ALA A 58 17.334 -10.089 -1.680 1.00 21.42 N ATOM 801 CA ALA A 58 16.608 -11.087 -0.921 1.00 75.45 C ATOM 802 C ALA A 58 15.266 -10.553 -0.427 1.00 32.13 C ATOM 803 O ALA A 58 14.275 -11.282 -0.416 1.00 73.25 O ATOM 804 CB ALA A 58 17.492 -11.484 0.244 1.00 44.44 C ATOM 0 H ALA A 58 18.138 -9.699 -1.189 1.00 21.42 H new ATOM 0 HA ALA A 58 16.381 -11.947 -1.551 1.00 75.45 H new ATOM 0 HB1 ALA A 58 16.984 -12.237 0.846 1.00 44.44 H new ATOM 0 HB2 ALA A 58 18.429 -11.893 -0.133 1.00 44.44 H new ATOM 0 HB3 ALA A 58 17.700 -10.608 0.858 1.00 44.44 H new ATOM 810 N ASP A 59 15.228 -9.271 -0.062 1.00 55.23 N ATOM 811 CA ASP A 59 14.058 -8.621 0.524 1.00 4.42 C ATOM 812 C ASP A 59 12.948 -8.433 -0.499 1.00 20.31 C ATOM 813 O ASP A 59 11.788 -8.289 -0.111 1.00 64.33 O ATOM 814 CB ASP A 59 14.441 -7.251 1.114 1.00 35.21 C ATOM 815 CG ASP A 59 14.686 -7.307 2.619 1.00 73.22 C ATOM 816 OD1 ASP A 59 15.242 -8.310 3.126 1.00 20.34 O ATOM 817 OD2 ASP A 59 14.280 -6.347 3.307 1.00 63.31 O ATOM 0 H ASP A 59 16.026 -8.644 -0.168 1.00 55.23 H new ATOM 0 HA ASP A 59 13.691 -9.273 1.316 1.00 4.42 H new ATOM 0 HB2 ASP A 59 15.339 -6.884 0.617 1.00 35.21 H new ATOM 0 HB3 ASP A 59 13.646 -6.535 0.906 1.00 35.21 H new ATOM 821 N VAL A 60 13.276 -8.439 -1.793 1.00 60.25 N ATOM 822 CA VAL A 60 12.269 -8.507 -2.844 1.00 53.32 C ATOM 823 C VAL A 60 11.864 -9.966 -3.017 1.00 53.52 C ATOM 824 O VAL A 60 10.674 -10.264 -2.977 1.00 31.12 O ATOM 825 CB VAL A 60 12.739 -7.805 -4.135 1.00 44.23 C ATOM 826 CG1 VAL A 60 14.144 -8.205 -4.580 1.00 15.32 C ATOM 827 CG2 VAL A 60 11.787 -8.045 -5.319 1.00 15.43 C ATOM 0 H VAL A 60 14.236 -8.397 -2.135 1.00 60.25 H new ATOM 0 HA VAL A 60 11.375 -7.949 -2.564 1.00 53.32 H new ATOM 0 HB VAL A 60 12.743 -6.749 -3.864 1.00 44.23 H new ATOM 0 HG11 VAL A 60 14.402 -7.670 -5.494 1.00 15.32 H new ATOM 0 HG12 VAL A 60 14.859 -7.953 -3.797 1.00 15.32 H new ATOM 0 HG13 VAL A 60 14.175 -9.278 -4.767 1.00 15.32 H new ATOM 0 HG21 VAL A 60 12.166 -7.529 -6.201 1.00 15.43 H new ATOM 0 HG22 VAL A 60 11.723 -9.114 -5.524 1.00 15.43 H new ATOM 0 HG23 VAL A 60 10.796 -7.663 -5.072 1.00 15.43 H new ATOM 837 N SER A 61 12.813 -10.889 -3.165 1.00 44.14 N ATOM 838 CA SER A 61 12.552 -12.285 -3.516 1.00 24.31 C ATOM 839 C SER A 61 11.871 -13.091 -2.404 1.00 3.11 C ATOM 840 O SER A 61 11.772 -14.303 -2.527 1.00 12.31 O ATOM 841 CB SER A 61 13.871 -12.961 -3.892 1.00 33.10 C ATOM 842 OG SER A 61 14.554 -12.184 -4.872 1.00 40.55 O ATOM 0 H SER A 61 13.805 -10.684 -3.042 1.00 44.14 H new ATOM 0 HA SER A 61 11.856 -12.269 -4.355 1.00 24.31 H new ATOM 0 HB2 SER A 61 14.496 -13.076 -3.006 1.00 33.10 H new ATOM 0 HB3 SER A 61 13.679 -13.962 -4.278 1.00 33.10 H new ATOM 0 HG SER A 61 15.134 -11.531 -4.426 1.00 40.55 H new ATOM 847 N MET A 62 11.383 -12.462 -1.337 1.00 15.41 N ATOM 848 CA MET A 62 10.616 -13.061 -0.267 1.00 60.15 C ATOM 849 C MET A 62 9.144 -12.661 -0.382 1.00 13.33 C ATOM 850 O MET A 62 8.275 -13.443 -0.028 1.00 31.43 O ATOM 851 CB MET A 62 11.262 -12.712 1.077 1.00 44.41 C ATOM 852 CG MET A 62 11.087 -11.255 1.504 1.00 40.44 C ATOM 853 SD MET A 62 11.964 -10.831 3.032 1.00 24.34 S ATOM 854 CE MET A 62 11.161 -12.001 4.162 1.00 2.13 C ATOM 0 H MET A 62 11.525 -11.462 -1.196 1.00 15.41 H new ATOM 0 HA MET A 62 10.628 -14.148 -0.342 1.00 60.15 H new ATOM 0 HB2 MET A 62 10.839 -13.357 1.847 1.00 44.41 H new ATOM 0 HB3 MET A 62 12.327 -12.936 1.023 1.00 44.41 H new ATOM 0 HG2 MET A 62 11.439 -10.606 0.702 1.00 40.44 H new ATOM 0 HG3 MET A 62 10.025 -11.050 1.637 1.00 40.44 H new ATOM 0 HE1 MET A 62 11.312 -11.675 5.191 1.00 2.13 H new ATOM 0 HE2 MET A 62 10.093 -12.040 3.947 1.00 2.13 H new ATOM 0 HE3 MET A 62 11.594 -12.992 4.028 1.00 2.13 H new ATOM 862 N ILE A 63 8.827 -11.480 -0.915 1.00 33.13 N ATOM 863 CA ILE A 63 7.471 -10.941 -0.964 1.00 15.24 C ATOM 864 C ILE A 63 6.597 -11.745 -1.933 1.00 52.33 C ATOM 865 O ILE A 63 5.427 -11.995 -1.630 1.00 63.23 O ATOM 866 CB ILE A 63 7.550 -9.415 -1.218 1.00 40.21 C ATOM 867 CG1 ILE A 63 8.104 -8.668 0.011 1.00 24.23 C ATOM 868 CG2 ILE A 63 6.207 -8.818 -1.662 1.00 14.33 C ATOM 869 CD1 ILE A 63 8.673 -7.294 -0.366 1.00 32.01 C ATOM 0 H ILE A 63 9.521 -10.860 -1.333 1.00 33.13 H new ATOM 0 HA ILE A 63 6.958 -11.055 -0.009 1.00 15.24 H new ATOM 0 HB ILE A 63 8.247 -9.278 -2.045 1.00 40.21 H new ATOM 0 HG12 ILE A 63 7.311 -8.543 0.748 1.00 24.23 H new ATOM 0 HG13 ILE A 63 8.884 -9.268 0.480 1.00 24.23 H new ATOM 0 HG21 ILE A 63 6.321 -7.746 -1.826 1.00 14.33 H new ATOM 0 HG22 ILE A 63 5.886 -9.294 -2.588 1.00 14.33 H new ATOM 0 HG23 ILE A 63 5.459 -8.989 -0.888 1.00 14.33 H new ATOM 0 HD11 ILE A 63 9.053 -6.800 0.528 1.00 32.01 H new ATOM 0 HD12 ILE A 63 9.484 -7.420 -1.083 1.00 32.01 H new ATOM 0 HD13 ILE A 63 7.887 -6.684 -0.811 1.00 32.01 H new ATOM 880 N LYS A 64 7.166 -12.246 -3.032 1.00 51.55 N ATOM 881 CA LYS A 64 6.497 -13.171 -3.956 1.00 41.44 C ATOM 882 C LYS A 64 5.918 -14.358 -3.208 1.00 53.15 C ATOM 883 O LYS A 64 4.771 -14.742 -3.429 1.00 44.52 O ATOM 884 CB LYS A 64 7.486 -13.665 -5.026 1.00 40.34 C ATOM 885 CG LYS A 64 7.936 -12.519 -5.937 1.00 33.11 C ATOM 886 CD LYS A 64 9.452 -12.345 -6.069 1.00 42.12 C ATOM 887 CE LYS A 64 10.037 -13.111 -7.264 1.00 1.11 C ATOM 888 NZ LYS A 64 10.202 -14.563 -7.042 1.00 51.15 N ATOM 0 H LYS A 64 8.120 -12.018 -3.311 1.00 51.55 H new ATOM 0 HA LYS A 64 5.682 -12.633 -4.441 1.00 41.44 H new ATOM 0 HB2 LYS A 64 8.355 -14.111 -4.543 1.00 40.34 H new ATOM 0 HB3 LYS A 64 7.018 -14.446 -5.625 1.00 40.34 H new ATOM 0 HG2 LYS A 64 7.517 -12.681 -6.930 1.00 33.11 H new ATOM 0 HG3 LYS A 64 7.511 -11.589 -5.560 1.00 33.11 H new ATOM 0 HD2 LYS A 64 9.684 -11.285 -6.174 1.00 42.12 H new ATOM 0 HD3 LYS A 64 9.934 -12.687 -5.153 1.00 42.12 H new ATOM 0 HE2 LYS A 64 9.390 -12.960 -8.128 1.00 1.11 H new ATOM 0 HE3 LYS A 64 11.007 -12.682 -7.514 1.00 1.11 H new ATOM 0 HZ1 LYS A 64 10.601 -15.002 -7.896 1.00 51.15 H new ATOM 0 HZ2 LYS A 64 10.844 -14.721 -6.239 1.00 51.15 H new ATOM 0 HZ3 LYS A 64 9.277 -14.990 -6.834 1.00 51.15 H new ATOM 898 N LYS A 65 6.707 -14.913 -2.289 1.00 11.54 N ATOM 899 CA LYS A 65 6.364 -16.117 -1.559 1.00 61.24 C ATOM 900 C LYS A 65 5.196 -15.896 -0.594 1.00 54.11 C ATOM 901 O LYS A 65 4.583 -16.879 -0.176 1.00 53.25 O ATOM 902 CB LYS A 65 7.634 -16.659 -0.881 1.00 32.00 C ATOM 903 CG LYS A 65 8.620 -17.267 -1.906 1.00 11.14 C ATOM 904 CD LYS A 65 9.931 -16.471 -1.983 1.00 55.35 C ATOM 905 CE LYS A 65 10.787 -16.633 -0.720 1.00 61.12 C ATOM 906 NZ LYS A 65 11.362 -17.979 -0.559 1.00 43.53 N ATOM 0 H LYS A 65 7.615 -14.527 -2.032 1.00 11.54 H new ATOM 0 HA LYS A 65 5.999 -16.876 -2.251 1.00 61.24 H new ATOM 0 HB2 LYS A 65 8.127 -15.854 -0.337 1.00 32.00 H new ATOM 0 HB3 LYS A 65 7.359 -17.417 -0.148 1.00 32.00 H new ATOM 0 HG2 LYS A 65 8.838 -18.299 -1.632 1.00 11.14 H new ATOM 0 HG3 LYS A 65 8.152 -17.291 -2.890 1.00 11.14 H new ATOM 0 HD2 LYS A 65 10.502 -16.800 -2.851 1.00 55.35 H new ATOM 0 HD3 LYS A 65 9.704 -15.415 -2.132 1.00 55.35 H new ATOM 0 HE2 LYS A 65 11.596 -15.903 -0.745 1.00 61.12 H new ATOM 0 HE3 LYS A 65 10.177 -16.402 0.153 1.00 61.12 H new ATOM 0 HZ1 LYS A 65 11.994 -17.990 0.267 1.00 43.53 H new ATOM 0 HZ2 LYS A 65 10.597 -18.669 -0.419 1.00 43.53 H new ATOM 0 HZ3 LYS A 65 11.902 -18.230 -1.412 1.00 43.53 H new ATOM 916 N GLN A 66 4.807 -14.645 -0.313 1.00 62.02 N ATOM 917 CA GLN A 66 3.628 -14.303 0.476 1.00 44.53 C ATOM 918 C GLN A 66 2.452 -13.900 -0.431 1.00 32.21 C ATOM 919 O GLN A 66 1.574 -13.131 -0.025 1.00 61.24 O ATOM 920 CB GLN A 66 3.976 -13.225 1.515 1.00 12.41 C ATOM 921 CG GLN A 66 4.730 -13.761 2.739 1.00 2.25 C ATOM 922 CD GLN A 66 6.199 -13.994 2.440 1.00 22.24 C ATOM 923 OE1 GLN A 66 6.603 -15.105 2.097 1.00 13.14 O ATOM 924 NE2 GLN A 66 7.020 -12.961 2.543 1.00 75.15 N ATOM 0 H GLN A 66 5.320 -13.826 -0.639 1.00 62.02 H new ATOM 0 HA GLN A 66 3.301 -15.185 1.026 1.00 44.53 H new ATOM 0 HB2 GLN A 66 4.581 -12.455 1.036 1.00 12.41 H new ATOM 0 HB3 GLN A 66 3.056 -12.746 1.849 1.00 12.41 H new ATOM 0 HG2 GLN A 66 4.635 -13.054 3.563 1.00 2.25 H new ATOM 0 HG3 GLN A 66 4.273 -14.695 3.067 1.00 2.25 H new ATOM 0 HE21 GLN A 66 6.660 -12.050 2.829 1.00 75.15 H new ATOM 0 HE22 GLN A 66 8.012 -13.076 2.336 1.00 75.15 H new ATOM 931 N GLY A 67 2.412 -14.409 -1.666 1.00 20.32 N ATOM 932 CA GLY A 67 1.226 -14.314 -2.500 1.00 11.42 C ATOM 933 C GLY A 67 1.142 -13.022 -3.296 1.00 4.42 C ATOM 934 O GLY A 67 0.047 -12.628 -3.697 1.00 12.45 O ATOM 0 H GLY A 67 3.195 -14.892 -2.106 1.00 20.32 H new ATOM 0 HA2 GLY A 67 1.209 -15.158 -3.190 1.00 11.42 H new ATOM 0 HA3 GLY A 67 0.341 -14.400 -1.869 1.00 11.42 H new ATOM 938 N THR A 68 2.277 -12.371 -3.524 1.00 64.12 N ATOM 939 CA THR A 68 2.362 -11.083 -4.196 1.00 34.15 C ATOM 940 C THR A 68 2.784 -11.291 -5.653 1.00 72.33 C ATOM 941 O THR A 68 3.467 -12.270 -5.971 1.00 54.14 O ATOM 942 CB THR A 68 3.401 -10.229 -3.448 1.00 31.32 C ATOM 943 OG1 THR A 68 3.234 -10.360 -2.045 1.00 63.23 O ATOM 944 CG2 THR A 68 3.298 -8.751 -3.825 1.00 3.44 C ATOM 0 H THR A 68 3.186 -12.735 -3.239 1.00 64.12 H new ATOM 0 HA THR A 68 1.396 -10.578 -4.192 1.00 34.15 H new ATOM 0 HB THR A 68 4.385 -10.595 -3.741 1.00 31.32 H new ATOM 0 HG1 THR A 68 3.943 -10.931 -1.683 1.00 63.23 H new ATOM 0 HG21 THR A 68 4.048 -8.182 -3.276 1.00 3.44 H new ATOM 0 HG22 THR A 68 3.468 -8.636 -4.896 1.00 3.44 H new ATOM 0 HG23 THR A 68 2.305 -8.380 -3.573 1.00 3.44 H new ATOM 952 N THR A 69 2.440 -10.360 -6.536 1.00 63.31 N ATOM 953 CA THR A 69 2.918 -10.312 -7.914 1.00 23.41 C ATOM 954 C THR A 69 3.537 -8.940 -8.170 1.00 54.11 C ATOM 955 O THR A 69 3.431 -8.033 -7.342 1.00 75.21 O ATOM 956 CB THR A 69 1.779 -10.593 -8.903 1.00 22.44 C ATOM 957 OG1 THR A 69 0.577 -10.006 -8.463 1.00 14.43 O ATOM 958 CG2 THR A 69 1.551 -12.090 -9.060 1.00 35.34 C ATOM 0 H THR A 69 1.803 -9.597 -6.307 1.00 63.31 H new ATOM 0 HA THR A 69 3.671 -11.086 -8.064 1.00 23.41 H new ATOM 0 HB THR A 69 2.072 -10.163 -9.861 1.00 22.44 H new ATOM 0 HG1 THR A 69 -0.135 -10.196 -9.109 1.00 14.43 H new ATOM 0 HG21 THR A 69 0.739 -12.262 -9.766 1.00 35.34 H new ATOM 0 HG22 THR A 69 2.461 -12.560 -9.433 1.00 35.34 H new ATOM 0 HG23 THR A 69 1.289 -12.522 -8.094 1.00 35.34 H new ATOM 966 N LEU A 70 4.203 -8.795 -9.316 1.00 51.34 N ATOM 967 CA LEU A 70 4.852 -7.565 -9.744 1.00 12.51 C ATOM 968 C LEU A 70 3.838 -6.443 -9.703 1.00 21.43 C ATOM 969 O LEU A 70 4.046 -5.375 -9.144 1.00 0.55 O ATOM 970 CB LEU A 70 5.302 -7.727 -11.205 1.00 40.14 C ATOM 971 CG LEU A 70 6.214 -6.611 -11.751 1.00 62.12 C ATOM 972 CD1 LEU A 70 5.769 -6.209 -13.146 1.00 60.40 C ATOM 973 CD2 LEU A 70 6.560 -5.390 -10.887 1.00 40.44 C ATOM 0 H LEU A 70 4.306 -9.555 -9.988 1.00 51.34 H new ATOM 0 HA LEU A 70 5.701 -7.349 -9.095 1.00 12.51 H new ATOM 0 HB2 LEU A 70 5.825 -8.678 -11.301 1.00 40.14 H new ATOM 0 HB3 LEU A 70 4.414 -7.786 -11.835 1.00 40.14 H new ATOM 0 HG LEU A 70 7.185 -7.106 -11.749 1.00 62.12 H new ATOM 0 HD11 LEU A 70 6.420 -5.420 -13.522 1.00 60.40 H new ATOM 0 HD12 LEU A 70 5.825 -7.073 -13.809 1.00 60.40 H new ATOM 0 HD13 LEU A 70 4.742 -5.846 -13.110 1.00 60.40 H new ATOM 0 HD21 LEU A 70 7.212 -4.720 -11.448 1.00 40.44 H new ATOM 0 HD22 LEU A 70 5.644 -4.864 -10.617 1.00 40.44 H new ATOM 0 HD23 LEU A 70 7.070 -5.718 -9.981 1.00 40.44 H new ATOM 984 N GLU A 71 2.720 -6.713 -10.350 1.00 75.11 N ATOM 985 CA GLU A 71 1.771 -5.704 -10.760 1.00 4.15 C ATOM 986 C GLU A 71 1.088 -5.003 -9.564 1.00 73.12 C ATOM 987 O GLU A 71 0.622 -3.864 -9.616 1.00 51.50 O ATOM 988 CB GLU A 71 0.831 -6.405 -11.707 1.00 44.12 C ATOM 989 CG GLU A 71 -0.143 -7.292 -10.965 1.00 43.10 C ATOM 990 CD GLU A 71 -0.859 -8.301 -11.860 1.00 20.04 C ATOM 991 OE1 GLU A 71 -0.284 -8.738 -12.888 1.00 42.20 O ATOM 992 OE2 GLU A 71 -1.952 -8.757 -11.445 1.00 12.15 O ATOM 0 H GLU A 71 2.444 -7.660 -10.609 1.00 75.11 H new ATOM 0 HA GLU A 71 2.253 -4.867 -11.266 1.00 4.15 H new ATOM 0 HB2 GLU A 71 0.281 -5.666 -12.289 1.00 44.12 H new ATOM 0 HB3 GLU A 71 1.405 -7.004 -12.414 1.00 44.12 H new ATOM 0 HG2 GLU A 71 0.392 -7.830 -10.182 1.00 43.10 H new ATOM 0 HG3 GLU A 71 -0.886 -6.667 -10.471 1.00 43.10 H new ATOM 997 N MET A 72 1.093 -5.697 -8.434 1.00 21.12 N ATOM 998 CA MET A 72 0.680 -5.227 -7.114 1.00 11.23 C ATOM 999 C MET A 72 1.653 -4.152 -6.621 1.00 21.41 C ATOM 1000 O MET A 72 1.253 -3.146 -6.033 1.00 32.11 O ATOM 1001 CB MET A 72 0.697 -6.434 -6.158 1.00 2.45 C ATOM 1002 CG MET A 72 -0.570 -6.609 -5.324 1.00 51.44 C ATOM 1003 SD MET A 72 -0.561 -8.234 -4.518 1.00 21.35 S ATOM 1004 CE MET A 72 -1.230 -9.234 -5.868 1.00 3.55 C ATOM 0 H MET A 72 1.406 -6.668 -8.411 1.00 21.12 H new ATOM 0 HA MET A 72 -0.319 -4.793 -7.156 1.00 11.23 H new ATOM 0 HB2 MET A 72 0.858 -7.340 -6.742 1.00 2.45 H new ATOM 0 HB3 MET A 72 1.548 -6.334 -5.484 1.00 2.45 H new ATOM 0 HG2 MET A 72 -0.633 -5.822 -4.573 1.00 51.44 H new ATOM 0 HG3 MET A 72 -1.450 -6.514 -5.960 1.00 51.44 H new ATOM 0 HE1 MET A 72 -0.776 -10.225 -5.846 1.00 3.55 H new ATOM 0 HE2 MET A 72 -2.310 -9.327 -5.752 1.00 3.55 H new ATOM 0 HE3 MET A 72 -1.008 -8.754 -6.821 1.00 3.55 H new ATOM 1012 N ILE A 73 2.947 -4.384 -6.832 1.00 40.23 N ATOM 1013 CA ILE A 73 4.025 -3.508 -6.421 1.00 0.14 C ATOM 1014 C ILE A 73 4.065 -2.263 -7.307 1.00 72.32 C ATOM 1015 O ILE A 73 4.391 -1.202 -6.788 1.00 33.12 O ATOM 1016 CB ILE A 73 5.363 -4.283 -6.395 1.00 24.42 C ATOM 1017 CG1 ILE A 73 5.265 -5.557 -5.523 1.00 2.33 C ATOM 1018 CG2 ILE A 73 6.551 -3.424 -5.936 1.00 12.35 C ATOM 1019 CD1 ILE A 73 4.893 -5.342 -4.048 1.00 62.40 C ATOM 0 H ILE A 73 3.278 -5.221 -7.312 1.00 40.23 H new ATOM 0 HA ILE A 73 3.848 -3.158 -5.404 1.00 0.14 H new ATOM 0 HB ILE A 73 5.553 -4.572 -7.429 1.00 24.42 H new ATOM 0 HG12 ILE A 73 4.526 -6.222 -5.969 1.00 2.33 H new ATOM 0 HG13 ILE A 73 6.224 -6.074 -5.563 1.00 2.33 H new ATOM 0 HG21 ILE A 73 7.459 -4.027 -5.940 1.00 12.35 H new ATOM 0 HG22 ILE A 73 6.673 -2.580 -6.614 1.00 12.35 H new ATOM 0 HG23 ILE A 73 6.365 -3.055 -4.927 1.00 12.35 H new ATOM 0 HD11 ILE A 73 4.855 -6.305 -3.538 1.00 62.40 H new ATOM 0 HD12 ILE A 73 5.642 -4.709 -3.572 1.00 62.40 H new ATOM 0 HD13 ILE A 73 3.918 -4.859 -3.985 1.00 62.40 H new ATOM 1030 N THR A 74 3.638 -2.319 -8.565 1.00 15.22 N ATOM 1031 CA THR A 74 3.432 -1.089 -9.327 1.00 4.43 C ATOM 1032 C THR A 74 2.180 -0.339 -8.853 1.00 60.41 C ATOM 1033 O THR A 74 2.186 0.888 -8.797 1.00 35.32 O ATOM 1034 CB THR A 74 3.387 -1.397 -10.829 1.00 20.13 C ATOM 1035 OG1 THR A 74 2.678 -2.593 -11.115 1.00 75.21 O ATOM 1036 CG2 THR A 74 4.807 -1.592 -11.351 1.00 44.54 C ATOM 0 H THR A 74 3.432 -3.181 -9.070 1.00 15.22 H new ATOM 0 HA THR A 74 4.277 -0.424 -9.148 1.00 4.43 H new ATOM 0 HB THR A 74 2.883 -0.556 -11.305 1.00 20.13 H new ATOM 0 HG1 THR A 74 1.998 -2.743 -10.426 1.00 75.21 H new ATOM 0 HG21 THR A 74 4.775 -1.811 -12.418 1.00 44.54 H new ATOM 0 HG22 THR A 74 5.384 -0.683 -11.184 1.00 44.54 H new ATOM 0 HG23 THR A 74 5.278 -2.422 -10.824 1.00 44.54 H new ATOM 1044 N ALA A 75 1.100 -1.042 -8.489 1.00 12.35 N ATOM 1045 CA ALA A 75 -0.183 -0.382 -8.281 1.00 54.11 C ATOM 1046 C ALA A 75 -0.192 0.549 -7.069 1.00 64.31 C ATOM 1047 O ALA A 75 -0.605 1.703 -7.193 1.00 21.41 O ATOM 1048 CB ALA A 75 -1.302 -1.409 -8.157 1.00 62.24 C ATOM 0 H ALA A 75 1.093 -2.050 -8.336 1.00 12.35 H new ATOM 0 HA ALA A 75 -0.351 0.240 -9.160 1.00 54.11 H new ATOM 0 HB1 ALA A 75 -2.251 -0.896 -8.002 1.00 62.24 H new ATOM 0 HB2 ALA A 75 -1.355 -2.002 -9.070 1.00 62.24 H new ATOM 0 HB3 ALA A 75 -1.102 -2.065 -7.310 1.00 62.24 H new ATOM 1054 N TRP A 76 0.226 0.059 -5.898 1.00 4.24 N ATOM 1055 CA TRP A 76 0.252 0.905 -4.706 1.00 20.05 C ATOM 1056 C TRP A 76 1.314 1.991 -4.835 1.00 21.25 C ATOM 1057 O TRP A 76 1.139 3.082 -4.303 1.00 2.14 O ATOM 1058 CB TRP A 76 0.431 0.104 -3.412 1.00 20.45 C ATOM 1059 CG TRP A 76 -0.700 -0.786 -3.059 1.00 33.15 C ATOM 1060 CD1 TRP A 76 -0.924 -2.055 -3.471 1.00 21.44 C ATOM 1061 CD2 TRP A 76 -1.811 -0.416 -2.216 1.00 4.51 C ATOM 1062 NE1 TRP A 76 -2.145 -2.473 -2.965 1.00 55.41 N ATOM 1063 CE2 TRP A 76 -2.725 -1.499 -2.172 1.00 15.35 C ATOM 1064 CE3 TRP A 76 -2.154 0.784 -1.564 1.00 43.13 C ATOM 1065 CZ2 TRP A 76 -3.926 -1.397 -1.459 1.00 20.44 C ATOM 1066 CZ3 TRP A 76 -3.359 0.907 -0.867 1.00 71.24 C ATOM 1067 CH2 TRP A 76 -4.228 -0.197 -0.790 1.00 52.12 C ATOM 0 H TRP A 76 0.544 -0.899 -5.753 1.00 4.24 H new ATOM 0 HA TRP A 76 -0.725 1.383 -4.638 1.00 20.05 H new ATOM 0 HB2 TRP A 76 1.334 -0.500 -3.500 1.00 20.45 H new ATOM 0 HB3 TRP A 76 0.593 0.802 -2.591 1.00 20.45 H new ATOM 0 HD1 TRP A 76 -0.263 -2.643 -4.090 1.00 21.44 H new ATOM 0 HE1 TRP A 76 -2.563 -3.384 -3.154 1.00 55.41 H new ATOM 0 HE3 TRP A 76 -1.475 1.623 -1.603 1.00 43.13 H new ATOM 0 HZ2 TRP A 76 -4.612 -2.230 -1.423 1.00 20.44 H new ATOM 0 HZ3 TRP A 76 -3.621 1.841 -0.392 1.00 71.24 H new ATOM 0 HH2 TRP A 76 -5.137 -0.122 -0.211 1.00 52.12 H new ATOM 1077 N GLN A 77 2.392 1.709 -5.560 1.00 4.21 N ATOM 1078 CA GLN A 77 3.437 2.661 -5.836 1.00 1.14 C ATOM 1079 C GLN A 77 2.848 3.845 -6.580 1.00 24.32 C ATOM 1080 O GLN A 77 2.902 4.949 -6.052 1.00 73.01 O ATOM 1081 CB GLN A 77 4.533 1.973 -6.634 1.00 74.00 C ATOM 1082 CG GLN A 77 5.695 2.901 -6.960 1.00 53.20 C ATOM 1083 CD GLN A 77 6.660 2.203 -7.896 1.00 53.30 C ATOM 1084 OE1 GLN A 77 6.845 0.995 -7.833 1.00 63.22 O ATOM 1085 NE2 GLN A 77 7.302 2.958 -8.758 1.00 61.01 N ATOM 0 H GLN A 77 2.557 0.792 -5.975 1.00 4.21 H new ATOM 0 HA GLN A 77 3.878 3.035 -4.912 1.00 1.14 H new ATOM 0 HB2 GLN A 77 4.904 1.117 -6.070 1.00 74.00 H new ATOM 0 HB3 GLN A 77 4.112 1.585 -7.562 1.00 74.00 H new ATOM 0 HG2 GLN A 77 5.324 3.816 -7.421 1.00 53.20 H new ATOM 0 HG3 GLN A 77 6.209 3.192 -6.044 1.00 53.20 H new ATOM 0 HE21 GLN A 77 7.126 3.962 -8.786 1.00 61.01 H new ATOM 0 HE22 GLN A 77 7.976 2.540 -9.399 1.00 61.01 H new ATOM 1092 N ASP A 78 2.294 3.629 -7.775 1.00 52.53 N ATOM 1093 CA ASP A 78 1.864 4.739 -8.632 1.00 11.34 C ATOM 1094 C ASP A 78 0.739 5.519 -7.940 1.00 4.23 C ATOM 1095 O ASP A 78 0.664 6.744 -8.031 1.00 20.03 O ATOM 1096 CB ASP A 78 1.417 4.231 -10.024 1.00 4.13 C ATOM 1097 CG ASP A 78 2.111 4.975 -11.181 1.00 60.42 C ATOM 1098 OD1 ASP A 78 2.591 6.119 -11.017 1.00 3.35 O ATOM 1099 OD2 ASP A 78 2.181 4.421 -12.305 1.00 11.43 O ATOM 0 H ASP A 78 2.133 2.703 -8.170 1.00 52.53 H new ATOM 0 HA ASP A 78 2.710 5.408 -8.790 1.00 11.34 H new ATOM 0 HB2 ASP A 78 1.631 3.165 -10.103 1.00 4.13 H new ATOM 0 HB3 ASP A 78 0.337 4.347 -10.119 1.00 4.13 H new ATOM 1103 N PHE A 79 -0.096 4.823 -7.165 1.00 71.31 N ATOM 1104 CA PHE A 79 -1.087 5.426 -6.288 1.00 55.12 C ATOM 1105 C PHE A 79 -0.441 6.447 -5.336 1.00 31.24 C ATOM 1106 O PHE A 79 -0.824 7.619 -5.344 1.00 12.53 O ATOM 1107 CB PHE A 79 -1.826 4.299 -5.559 1.00 22.22 C ATOM 1108 CG PHE A 79 -2.854 4.745 -4.550 1.00 73.04 C ATOM 1109 CD1 PHE A 79 -4.160 5.034 -4.978 1.00 63.23 C ATOM 1110 CD2 PHE A 79 -2.521 4.836 -3.185 1.00 74.44 C ATOM 1111 CE1 PHE A 79 -5.141 5.391 -4.043 1.00 43.34 C ATOM 1112 CE2 PHE A 79 -3.497 5.224 -2.252 1.00 14.32 C ATOM 1113 CZ PHE A 79 -4.807 5.504 -2.680 1.00 55.44 C ATOM 0 H PHE A 79 -0.097 3.803 -7.133 1.00 71.31 H new ATOM 0 HA PHE A 79 -1.814 5.997 -6.865 1.00 55.12 H new ATOM 0 HB2 PHE A 79 -2.319 3.671 -6.301 1.00 22.22 H new ATOM 0 HB3 PHE A 79 -1.091 3.675 -5.051 1.00 22.22 H new ATOM 0 HD1 PHE A 79 -4.408 4.981 -6.028 1.00 63.23 H new ATOM 0 HD2 PHE A 79 -1.518 4.608 -2.856 1.00 74.44 H new ATOM 0 HE1 PHE A 79 -6.154 5.579 -4.368 1.00 43.34 H new ATOM 0 HE2 PHE A 79 -3.241 5.307 -1.206 1.00 14.32 H new ATOM 0 HZ PHE A 79 -5.557 5.806 -1.963 1.00 55.44 H new ATOM 1122 N TYR A 80 0.538 6.029 -4.525 1.00 63.14 N ATOM 1123 CA TYR A 80 1.181 6.913 -3.559 1.00 74.12 C ATOM 1124 C TYR A 80 2.120 7.929 -4.215 1.00 35.34 C ATOM 1125 O TYR A 80 2.250 9.029 -3.692 1.00 43.52 O ATOM 1126 CB TYR A 80 1.977 6.109 -2.529 1.00 14.14 C ATOM 1127 CG TYR A 80 1.172 5.240 -1.582 1.00 33.34 C ATOM 1128 CD1 TYR A 80 0.177 5.782 -0.744 1.00 31.33 C ATOM 1129 CD2 TYR A 80 1.487 3.877 -1.488 1.00 11.31 C ATOM 1130 CE1 TYR A 80 -0.495 4.962 0.186 1.00 21.03 C ATOM 1131 CE2 TYR A 80 0.812 3.046 -0.578 1.00 53.43 C ATOM 1132 CZ TYR A 80 -0.177 3.585 0.270 1.00 22.05 C ATOM 1133 OH TYR A 80 -0.702 2.787 1.242 1.00 63.30 O ATOM 0 H TYR A 80 0.901 5.076 -4.523 1.00 63.14 H new ATOM 0 HA TYR A 80 0.373 7.459 -3.072 1.00 74.12 H new ATOM 0 HB2 TYR A 80 2.680 5.471 -3.064 1.00 14.14 H new ATOM 0 HB3 TYR A 80 2.568 6.806 -1.934 1.00 14.14 H new ATOM 0 HD1 TYR A 80 -0.072 6.831 -0.814 1.00 31.33 H new ATOM 0 HD2 TYR A 80 2.257 3.461 -2.122 1.00 11.31 H new ATOM 0 HE1 TYR A 80 -1.250 5.383 0.833 1.00 21.03 H new ATOM 0 HE2 TYR A 80 1.051 1.994 -0.528 1.00 53.43 H new ATOM 0 HH TYR A 80 -0.365 1.873 1.132 1.00 63.30 H new ATOM 1142 N GLU A 81 2.807 7.608 -5.311 1.00 55.52 N ATOM 1143 CA GLU A 81 3.605 8.555 -6.093 1.00 55.41 C ATOM 1144 C GLU A 81 2.732 9.733 -6.518 1.00 15.51 C ATOM 1145 O GLU A 81 3.150 10.875 -6.333 1.00 72.11 O ATOM 1146 CB GLU A 81 4.312 7.839 -7.268 1.00 2.31 C ATOM 1147 CG GLU A 81 5.501 7.009 -6.744 1.00 35.41 C ATOM 1148 CD GLU A 81 6.677 6.838 -7.713 1.00 62.00 C ATOM 1149 OE1 GLU A 81 7.592 7.702 -7.662 1.00 34.41 O ATOM 1150 OE2 GLU A 81 6.804 5.790 -8.378 1.00 33.41 O ATOM 0 H GLU A 81 2.825 6.661 -5.689 1.00 55.52 H new ATOM 0 HA GLU A 81 4.407 8.966 -5.480 1.00 55.41 H new ATOM 0 HB2 GLU A 81 3.606 7.190 -7.787 1.00 2.31 H new ATOM 0 HB3 GLU A 81 4.662 8.573 -7.994 1.00 2.31 H new ATOM 0 HG2 GLU A 81 5.872 7.477 -5.832 1.00 35.41 H new ATOM 0 HG3 GLU A 81 5.135 6.020 -6.469 1.00 35.41 H new ATOM 1155 N GLN A 82 1.487 9.501 -6.938 1.00 0.45 N ATOM 1156 CA GLN A 82 0.561 10.565 -7.298 1.00 4.41 C ATOM 1157 C GLN A 82 0.123 11.456 -6.118 1.00 1.51 C ATOM 1158 O GLN A 82 -0.491 12.491 -6.374 1.00 62.10 O ATOM 1159 CB GLN A 82 -0.623 9.953 -8.060 1.00 1.52 C ATOM 1160 CG GLN A 82 -0.429 9.957 -9.586 1.00 32.12 C ATOM 1161 CD GLN A 82 0.975 9.640 -10.088 1.00 34.31 C ATOM 1162 OE1 GLN A 82 1.742 10.502 -10.508 1.00 31.04 O ATOM 1163 NE2 GLN A 82 1.322 8.378 -10.097 1.00 24.13 N ATOM 0 H GLN A 82 1.095 8.564 -7.037 1.00 0.45 H new ATOM 0 HA GLN A 82 1.090 11.261 -7.949 1.00 4.41 H new ATOM 0 HB2 GLN A 82 -0.773 8.928 -7.722 1.00 1.52 H new ATOM 0 HB3 GLN A 82 -1.530 10.506 -7.814 1.00 1.52 H new ATOM 0 HG2 GLN A 82 -1.119 9.234 -10.021 1.00 32.12 H new ATOM 0 HG3 GLN A 82 -0.715 10.938 -9.965 1.00 32.12 H new ATOM 0 HE21 GLN A 82 0.678 7.669 -9.746 1.00 24.13 H new ATOM 0 HE22 GLN A 82 2.237 8.103 -10.455 1.00 24.13 H new ATOM 1170 N GLU A 83 0.461 11.142 -4.858 1.00 63.41 N ATOM 1171 CA GLU A 83 0.322 12.088 -3.744 1.00 13.42 C ATOM 1172 C GLU A 83 1.385 13.186 -3.834 1.00 74.04 C ATOM 1173 O GLU A 83 1.109 14.343 -3.526 1.00 2.35 O ATOM 1174 CB GLU A 83 0.469 11.397 -2.373 1.00 52.53 C ATOM 1175 CG GLU A 83 -0.708 10.474 -2.012 1.00 34.03 C ATOM 1176 CD GLU A 83 -1.974 11.233 -1.578 1.00 51.42 C ATOM 1177 OE1 GLU A 83 -2.011 12.483 -1.616 1.00 3.23 O ATOM 1178 OE2 GLU A 83 -2.960 10.593 -1.136 1.00 75.12 O ATOM 0 H GLU A 83 0.835 10.233 -4.586 1.00 63.41 H new ATOM 0 HA GLU A 83 -0.679 12.513 -3.825 1.00 13.42 H new ATOM 0 HB2 GLU A 83 1.390 10.814 -2.367 1.00 52.53 H new ATOM 0 HB3 GLU A 83 0.570 12.160 -1.601 1.00 52.53 H new ATOM 0 HG2 GLU A 83 -0.946 9.849 -2.873 1.00 34.03 H new ATOM 0 HG3 GLU A 83 -0.401 9.805 -1.208 1.00 34.03 H new ATOM 1183 N GLN A 84 2.609 12.850 -4.242 1.00 32.05 N ATOM 1184 CA GLN A 84 3.727 13.778 -4.137 1.00 21.11 C ATOM 1185 C GLN A 84 3.525 14.988 -5.042 1.00 72.43 C ATOM 1186 O GLN A 84 3.703 16.115 -4.598 1.00 3.44 O ATOM 1187 CB GLN A 84 5.047 13.046 -4.423 1.00 23.34 C ATOM 1188 CG GLN A 84 5.642 12.495 -3.121 1.00 13.25 C ATOM 1189 CD GLN A 84 4.785 11.380 -2.551 1.00 31.13 C ATOM 1190 OE1 GLN A 84 4.230 11.468 -1.466 1.00 3.43 O ATOM 1191 NE2 GLN A 84 4.675 10.292 -3.287 1.00 60.30 N ATOM 0 H GLN A 84 2.848 11.945 -4.646 1.00 32.05 H new ATOM 0 HA GLN A 84 3.776 14.161 -3.118 1.00 21.11 H new ATOM 0 HB2 GLN A 84 4.874 12.231 -5.126 1.00 23.34 H new ATOM 0 HB3 GLN A 84 5.755 13.728 -4.894 1.00 23.34 H new ATOM 0 HG2 GLN A 84 6.649 12.123 -3.308 1.00 13.25 H new ATOM 0 HG3 GLN A 84 5.730 13.299 -2.390 1.00 13.25 H new ATOM 0 HE21 GLN A 84 5.146 10.237 -4.190 1.00 60.30 H new ATOM 0 HE22 GLN A 84 4.119 9.505 -2.953 1.00 60.30 H new ATOM 1198 N GLN A 85 3.069 14.760 -6.273 1.00 75.22 N ATOM 1199 CA GLN A 85 2.719 15.806 -7.230 1.00 1.52 C ATOM 1200 C GLN A 85 1.582 16.730 -6.762 1.00 52.14 C ATOM 1201 O GLN A 85 1.339 17.729 -7.442 1.00 75.31 O ATOM 1202 CB GLN A 85 2.358 15.184 -8.593 1.00 74.10 C ATOM 1203 CG GLN A 85 1.323 14.064 -8.427 1.00 22.04 C ATOM 1204 CD GLN A 85 0.566 13.722 -9.701 1.00 2.32 C ATOM 1205 OE1 GLN A 85 1.116 13.695 -10.798 1.00 24.12 O ATOM 1206 NE2 GLN A 85 -0.716 13.437 -9.563 1.00 60.32 N ATOM 0 H GLN A 85 2.930 13.819 -6.640 1.00 75.22 H new ATOM 0 HA GLN A 85 3.606 16.433 -7.321 1.00 1.52 H new ATOM 0 HB2 GLN A 85 1.963 15.954 -9.256 1.00 74.10 H new ATOM 0 HB3 GLN A 85 3.257 14.787 -9.066 1.00 74.10 H new ATOM 0 HG2 GLN A 85 1.828 13.168 -8.066 1.00 22.04 H new ATOM 0 HG3 GLN A 85 0.607 14.357 -7.659 1.00 22.04 H new ATOM 0 HE21 GLN A 85 -1.149 13.467 -8.640 1.00 60.32 H new ATOM 0 HE22 GLN A 85 -1.274 13.187 -10.380 1.00 60.32 H new ATOM 1213 N ARG A 86 0.856 16.433 -5.677 1.00 51.11 N ATOM 1214 CA ARG A 86 -0.266 17.259 -5.217 1.00 42.31 C ATOM 1215 C ARG A 86 -0.116 17.765 -3.791 1.00 53.11 C ATOM 1216 O ARG A 86 -0.720 18.796 -3.477 1.00 51.21 O ATOM 1217 CB ARG A 86 -1.598 16.523 -5.401 1.00 12.14 C ATOM 1218 CG ARG A 86 -1.705 15.210 -4.617 1.00 61.23 C ATOM 1219 CD ARG A 86 -3.035 14.494 -4.863 1.00 42.23 C ATOM 1220 NE ARG A 86 -3.407 13.659 -3.713 1.00 33.03 N ATOM 1221 CZ ARG A 86 -4.639 13.297 -3.344 1.00 42.23 C ATOM 1222 NH1 ARG A 86 -5.700 13.536 -4.106 1.00 73.42 N ATOM 1223 NH2 ARG A 86 -4.806 12.694 -2.179 1.00 0.23 N ATOM 0 H ARG A 86 1.030 15.614 -5.094 1.00 51.11 H new ATOM 0 HA ARG A 86 -0.259 18.148 -5.848 1.00 42.31 H new ATOM 0 HB2 ARG A 86 -2.410 17.183 -5.095 1.00 12.14 H new ATOM 0 HB3 ARG A 86 -1.740 16.313 -6.461 1.00 12.14 H new ATOM 0 HG2 ARG A 86 -0.883 14.552 -4.900 1.00 61.23 H new ATOM 0 HG3 ARG A 86 -1.597 15.415 -3.552 1.00 61.23 H new ATOM 0 HD2 ARG A 86 -3.818 15.229 -5.051 1.00 42.23 H new ATOM 0 HD3 ARG A 86 -2.958 13.874 -5.756 1.00 42.23 H new ATOM 0 HE ARG A 86 -2.641 13.318 -3.133 1.00 33.03 H new ATOM 0 HH11 ARG A 86 -5.588 14.009 -5.003 1.00 73.42 H new ATOM 0 HH12 ARG A 86 -6.627 13.246 -3.795 1.00 73.42 H new ATOM 0 HH21 ARG A 86 -4.002 12.512 -1.579 1.00 0.23 H new ATOM 0 HH22 ARG A 86 -5.739 12.410 -1.881 1.00 0.23 H new ATOM 1234 N ASN A 87 0.620 17.076 -2.925 1.00 34.25 N ATOM 1235 CA ASN A 87 0.885 17.512 -1.569 1.00 23.04 C ATOM 1236 C ASN A 87 2.212 16.916 -1.113 1.00 72.43 C ATOM 1237 O ASN A 87 2.256 15.810 -0.568 1.00 52.33 O ATOM 1238 CB ASN A 87 -0.259 17.198 -0.579 1.00 31.23 C ATOM 1239 CG ASN A 87 -1.081 15.946 -0.854 1.00 53.32 C ATOM 1240 OD1 ASN A 87 -2.288 16.052 -1.074 1.00 34.33 O ATOM 1241 ND2 ASN A 87 -0.477 14.776 -0.866 1.00 44.34 N ATOM 0 H ASN A 87 1.055 16.183 -3.156 1.00 34.25 H new ATOM 0 HA ASN A 87 0.949 18.600 -1.574 1.00 23.04 H new ATOM 0 HB2 ASN A 87 0.170 17.110 0.419 1.00 31.23 H new ATOM 0 HB3 ASN A 87 -0.936 18.052 -0.561 1.00 31.23 H new ATOM 0 HD21 ASN A 87 -1.010 13.929 -1.061 1.00 44.34 H new ATOM 0 HD22 ASN A 87 0.524 14.717 -0.680 1.00 44.34 H new ATOM 1247 N GLU A 88 3.298 17.674 -1.276 1.00 11.51 N ATOM 1248 CA GLU A 88 4.653 17.297 -0.866 1.00 3.55 C ATOM 1249 C GLU A 88 4.786 17.101 0.651 1.00 31.04 C ATOM 1250 O GLU A 88 5.827 16.645 1.130 1.00 2.12 O ATOM 1251 CB GLU A 88 5.655 18.386 -1.281 1.00 31.45 C ATOM 1252 CG GLU A 88 5.857 18.493 -2.793 1.00 11.42 C ATOM 1253 CD GLU A 88 7.052 19.403 -3.084 1.00 41.23 C ATOM 1254 OE1 GLU A 88 8.204 18.903 -3.100 1.00 45.14 O ATOM 1255 OE2 GLU A 88 6.849 20.624 -3.260 1.00 22.04 O ATOM 0 H GLU A 88 3.258 18.596 -1.710 1.00 11.51 H new ATOM 0 HA GLU A 88 4.864 16.349 -1.361 1.00 3.55 H new ATOM 0 HB2 GLU A 88 5.311 19.348 -0.901 1.00 31.45 H new ATOM 0 HB3 GLU A 88 6.616 18.182 -0.809 1.00 31.45 H new ATOM 0 HG2 GLU A 88 6.027 17.504 -3.219 1.00 11.42 H new ATOM 0 HG3 GLU A 88 4.959 18.893 -3.263 1.00 11.42 H new ATOM 1260 N ASN A 89 3.777 17.475 1.439 1.00 72.13 N ATOM 1261 CA ASN A 89 3.785 17.417 2.901 1.00 34.21 C ATOM 1262 C ASN A 89 3.387 16.024 3.425 1.00 54.42 C ATOM 1263 O ASN A 89 3.215 15.864 4.633 1.00 34.44 O ATOM 1264 CB ASN A 89 2.856 18.507 3.465 1.00 13.54 C ATOM 1265 CG ASN A 89 3.280 19.959 3.233 1.00 21.31 C ATOM 1266 OD1 ASN A 89 2.700 20.875 3.806 1.00 23.44 O ATOM 1267 ND2 ASN A 89 4.304 20.234 2.436 1.00 21.44 N ATOM 0 H ASN A 89 2.901 17.839 1.064 1.00 72.13 H new ATOM 0 HA ASN A 89 4.803 17.601 3.244 1.00 34.21 H new ATOM 0 HB2 ASN A 89 1.866 18.368 3.031 1.00 13.54 H new ATOM 0 HB3 ASN A 89 2.758 18.349 4.539 1.00 13.54 H new ATOM 0 HD21 ASN A 89 4.603 21.200 2.304 1.00 21.44 H new ATOM 0 HD22 ASN A 89 4.793 19.479 1.955 1.00 21.44 H new ATOM 1273 N ASN A 90 3.240 15.019 2.551 1.00 54.44 N ATOM 1274 CA ASN A 90 2.871 13.642 2.899 1.00 4.31 C ATOM 1275 C ASN A 90 4.091 12.711 2.818 1.00 74.44 C ATOM 1276 O ASN A 90 4.327 12.105 1.773 1.00 20.41 O ATOM 1277 CB ASN A 90 1.733 13.158 1.972 1.00 23.34 C ATOM 1278 CG ASN A 90 0.356 13.452 2.540 1.00 45.24 C ATOM 1279 OD1 ASN A 90 -0.419 14.245 2.023 1.00 13.12 O ATOM 1280 ND2 ASN A 90 0.014 12.781 3.614 1.00 24.12 N ATOM 0 H ASN A 90 3.380 15.148 1.549 1.00 54.44 H new ATOM 0 HA ASN A 90 2.513 13.620 3.928 1.00 4.31 H new ATOM 0 HB2 ASN A 90 1.832 13.640 0.999 1.00 23.34 H new ATOM 0 HB3 ASN A 90 1.834 12.085 1.808 1.00 23.34 H new ATOM 0 HD21 ASN A 90 -0.908 12.917 4.028 1.00 24.12 H new ATOM 0 HD22 ASN A 90 0.670 12.123 4.035 1.00 24.12 H new ATOM 1286 N PRO A 91 4.921 12.588 3.864 1.00 1.41 N ATOM 1287 CA PRO A 91 6.128 11.759 3.828 1.00 72.42 C ATOM 1288 C PRO A 91 5.794 10.267 3.885 1.00 52.21 C ATOM 1289 O PRO A 91 6.578 9.447 3.410 1.00 0.35 O ATOM 1290 CB PRO A 91 6.908 12.164 5.081 1.00 70.44 C ATOM 1291 CG PRO A 91 5.802 12.587 6.054 1.00 50.51 C ATOM 1292 CD PRO A 91 4.797 13.263 5.141 1.00 41.31 C ATOM 0 HA PRO A 91 6.687 11.911 2.904 1.00 72.42 H new ATOM 0 HB2 PRO A 91 7.497 11.336 5.475 1.00 70.44 H new ATOM 0 HB3 PRO A 91 7.601 12.980 4.879 1.00 70.44 H new ATOM 0 HG2 PRO A 91 5.368 11.731 6.571 1.00 50.51 H new ATOM 0 HG3 PRO A 91 6.175 13.267 6.820 1.00 50.51 H new ATOM 0 HD2 PRO A 91 3.785 13.173 5.536 1.00 41.31 H new ATOM 0 HD3 PRO A 91 5.008 14.328 5.044 1.00 41.31 H new ATOM 1297 N THR A 92 4.652 9.908 4.472 1.00 35.24 N ATOM 1298 CA THR A 92 4.192 8.541 4.606 1.00 14.31 C ATOM 1299 C THR A 92 4.063 7.923 3.213 1.00 72.44 C ATOM 1300 O THR A 92 4.810 6.990 2.907 1.00 21.42 O ATOM 1301 CB THR A 92 2.897 8.545 5.428 1.00 73.13 C ATOM 1302 OG1 THR A 92 3.088 9.251 6.634 1.00 10.34 O ATOM 1303 CG2 THR A 92 2.434 7.136 5.767 1.00 0.33 C ATOM 0 H THR A 92 4.008 10.587 4.877 1.00 35.24 H new ATOM 0 HA THR A 92 4.900 7.913 5.147 1.00 14.31 H new ATOM 0 HB THR A 92 2.135 9.028 4.816 1.00 73.13 H new ATOM 0 HG1 THR A 92 2.255 9.249 7.150 1.00 10.34 H new ATOM 0 HG21 THR A 92 1.514 7.186 6.349 1.00 0.33 H new ATOM 0 HG22 THR A 92 2.251 6.582 4.846 1.00 0.33 H new ATOM 0 HG23 THR A 92 3.205 6.630 6.348 1.00 0.33 H new ATOM 1311 N ALA A 93 3.182 8.480 2.366 1.00 43.24 N ATOM 1312 CA ALA A 93 3.061 8.162 0.947 1.00 41.24 C ATOM 1313 C ALA A 93 4.431 8.228 0.261 1.00 0.25 C ATOM 1314 O ALA A 93 4.802 7.300 -0.458 1.00 51.43 O ATOM 1315 CB ALA A 93 2.090 9.135 0.274 1.00 54.44 C ATOM 0 H ALA A 93 2.514 9.189 2.668 1.00 43.24 H new ATOM 0 HA ALA A 93 2.674 7.148 0.850 1.00 41.24 H new ATOM 0 HB1 ALA A 93 2.006 8.891 -0.785 1.00 54.44 H new ATOM 0 HB2 ALA A 93 1.110 9.055 0.744 1.00 54.44 H new ATOM 0 HB3 ALA A 93 2.462 10.154 0.383 1.00 54.44 H new ATOM 1321 N LYS A 94 5.198 9.301 0.500 1.00 73.12 N ATOM 1322 CA LYS A 94 6.466 9.533 -0.180 1.00 32.13 C ATOM 1323 C LYS A 94 7.406 8.347 -0.045 1.00 3.22 C ATOM 1324 O LYS A 94 7.771 7.757 -1.067 1.00 22.22 O ATOM 1325 CB LYS A 94 7.101 10.866 0.254 1.00 33.31 C ATOM 1326 CG LYS A 94 8.212 11.268 -0.725 1.00 55.34 C ATOM 1327 CD LYS A 94 8.476 12.777 -0.764 1.00 1.22 C ATOM 1328 CE LYS A 94 9.109 13.337 0.506 1.00 35.42 C ATOM 1329 NZ LYS A 94 9.387 14.787 0.410 1.00 52.23 N ATOM 0 H LYS A 94 4.951 10.028 1.171 1.00 73.12 H new ATOM 0 HA LYS A 94 6.261 9.627 -1.246 1.00 32.13 H new ATOM 0 HB2 LYS A 94 6.339 11.645 0.291 1.00 33.31 H new ATOM 0 HB3 LYS A 94 7.510 10.772 1.260 1.00 33.31 H new ATOM 0 HG2 LYS A 94 9.132 10.753 -0.449 1.00 55.34 H new ATOM 0 HG3 LYS A 94 7.944 10.928 -1.725 1.00 55.34 H new ATOM 0 HD2 LYS A 94 9.128 12.998 -1.609 1.00 1.22 H new ATOM 0 HD3 LYS A 94 7.534 13.294 -0.945 1.00 1.22 H new ATOM 0 HE2 LYS A 94 8.445 13.153 1.350 1.00 35.42 H new ATOM 0 HE3 LYS A 94 10.038 12.805 0.710 1.00 35.42 H new ATOM 0 HZ1 LYS A 94 9.816 15.118 1.298 1.00 52.23 H new ATOM 0 HZ2 LYS A 94 10.042 14.963 -0.378 1.00 52.23 H new ATOM 0 HZ3 LYS A 94 8.498 15.301 0.243 1.00 52.23 H new ATOM 1339 N TYR A 95 7.789 8.004 1.185 1.00 62.34 N ATOM 1340 CA TYR A 95 8.735 6.929 1.431 1.00 31.03 C ATOM 1341 C TYR A 95 8.183 5.596 0.923 1.00 55.50 C ATOM 1342 O TYR A 95 8.905 4.868 0.244 1.00 52.12 O ATOM 1343 CB TYR A 95 9.086 6.841 2.922 1.00 12.45 C ATOM 1344 CG TYR A 95 10.138 7.826 3.396 1.00 11.35 C ATOM 1345 CD1 TYR A 95 11.479 7.642 3.007 1.00 1.25 C ATOM 1346 CD2 TYR A 95 9.811 8.880 4.272 1.00 13.11 C ATOM 1347 CE1 TYR A 95 12.485 8.489 3.492 1.00 74.42 C ATOM 1348 CE2 TYR A 95 10.819 9.730 4.765 1.00 53.20 C ATOM 1349 CZ TYR A 95 12.166 9.533 4.388 1.00 60.44 C ATOM 1350 OH TYR A 95 13.140 10.348 4.875 1.00 34.32 O ATOM 0 H TYR A 95 7.451 8.464 2.031 1.00 62.34 H new ATOM 0 HA TYR A 95 9.650 7.150 0.881 1.00 31.03 H new ATOM 0 HB2 TYR A 95 8.177 6.997 3.503 1.00 12.45 H new ATOM 0 HB3 TYR A 95 9.433 5.831 3.138 1.00 12.45 H new ATOM 0 HD1 TYR A 95 11.734 6.841 2.329 1.00 1.25 H new ATOM 0 HD2 TYR A 95 8.784 9.036 4.566 1.00 13.11 H new ATOM 0 HE1 TYR A 95 13.508 8.343 3.179 1.00 74.42 H new ATOM 0 HE2 TYR A 95 10.561 10.537 5.435 1.00 53.20 H new ATOM 0 HH TYR A 95 12.741 11.011 5.477 1.00 34.32 H new ATOM 1359 N ARG A 96 6.931 5.237 1.246 1.00 21.01 N ATOM 1360 CA ARG A 96 6.412 3.924 0.869 1.00 60.21 C ATOM 1361 C ARG A 96 6.414 3.716 -0.645 1.00 53.13 C ATOM 1362 O ARG A 96 6.788 2.633 -1.082 1.00 51.54 O ATOM 1363 CB ARG A 96 5.073 3.615 1.535 1.00 44.34 C ATOM 1364 CG ARG A 96 3.917 4.487 1.070 1.00 52.50 C ATOM 1365 CD ARG A 96 2.638 4.212 1.852 1.00 11.25 C ATOM 1366 NE ARG A 96 2.773 4.293 3.315 1.00 54.12 N ATOM 1367 CZ ARG A 96 1.801 3.979 4.181 1.00 43.32 C ATOM 1368 NH1 ARG A 96 0.570 3.693 3.759 1.00 3.32 N ATOM 1369 NH2 ARG A 96 2.078 3.960 5.476 1.00 22.01 N ATOM 0 H ARG A 96 6.275 5.827 1.757 1.00 21.01 H new ATOM 0 HA ARG A 96 7.104 3.180 1.263 1.00 60.21 H new ATOM 0 HB2 ARG A 96 4.821 2.571 1.347 1.00 44.34 H new ATOM 0 HB3 ARG A 96 5.184 3.727 2.613 1.00 44.34 H new ATOM 0 HG2 ARG A 96 4.189 5.537 1.179 1.00 52.50 H new ATOM 0 HG3 ARG A 96 3.737 4.313 0.009 1.00 52.50 H new ATOM 0 HD2 ARG A 96 1.875 4.922 1.533 1.00 11.25 H new ATOM 0 HD3 ARG A 96 2.277 3.217 1.590 1.00 11.25 H new ATOM 0 HE ARG A 96 3.665 4.609 3.694 1.00 54.12 H new ATOM 0 HH11 ARG A 96 0.356 3.711 2.762 1.00 3.32 H new ATOM 0 HH12 ARG A 96 -0.158 3.456 4.433 1.00 3.32 H new ATOM 0 HH21 ARG A 96 3.019 4.182 5.799 1.00 22.01 H new ATOM 0 HH22 ARG A 96 1.350 3.723 6.150 1.00 22.01 H new ATOM 1380 N ALA A 97 6.086 4.728 -1.456 1.00 35.44 N ATOM 1381 CA ALA A 97 6.143 4.572 -2.902 1.00 20.11 C ATOM 1382 C ALA A 97 7.594 4.383 -3.372 1.00 43.51 C ATOM 1383 O ALA A 97 7.885 3.454 -4.124 1.00 61.43 O ATOM 1384 CB ALA A 97 5.482 5.774 -3.571 1.00 35.04 C ATOM 0 H ALA A 97 5.783 5.648 -1.136 1.00 35.44 H new ATOM 0 HA ALA A 97 5.595 3.675 -3.192 1.00 20.11 H new ATOM 0 HB1 ALA A 97 5.525 5.657 -4.654 1.00 35.04 H new ATOM 0 HB2 ALA A 97 4.441 5.840 -3.254 1.00 35.04 H new ATOM 0 HB3 ALA A 97 6.007 6.685 -3.284 1.00 35.04 H new ATOM 1390 N ARG A 98 8.521 5.217 -2.873 1.00 21.31 N ATOM 1391 CA ARG A 98 9.949 5.175 -3.223 1.00 41.21 C ATOM 1392 C ARG A 98 10.551 3.791 -3.000 1.00 11.15 C ATOM 1393 O ARG A 98 11.473 3.392 -3.711 1.00 14.42 O ATOM 1394 CB ARG A 98 10.727 6.226 -2.397 1.00 62.44 C ATOM 1395 CG ARG A 98 11.383 7.347 -3.220 1.00 51.11 C ATOM 1396 CD ARG A 98 11.352 8.666 -2.430 1.00 1.24 C ATOM 1397 NE ARG A 98 11.851 9.826 -3.192 1.00 35.11 N ATOM 1398 CZ ARG A 98 11.206 10.439 -4.196 1.00 33.13 C ATOM 1399 NH1 ARG A 98 10.104 9.903 -4.702 1.00 52.43 N ATOM 1400 NH2 ARG A 98 11.644 11.584 -4.704 1.00 23.32 N ATOM 0 H ARG A 98 8.294 5.952 -2.203 1.00 21.31 H new ATOM 0 HA ARG A 98 10.034 5.405 -4.285 1.00 41.21 H new ATOM 0 HB2 ARG A 98 10.044 6.677 -1.677 1.00 62.44 H new ATOM 0 HB3 ARG A 98 11.502 5.715 -1.825 1.00 62.44 H new ATOM 0 HG2 ARG A 98 12.413 7.080 -3.458 1.00 51.11 H new ATOM 0 HG3 ARG A 98 10.858 7.469 -4.168 1.00 51.11 H new ATOM 0 HD2 ARG A 98 10.329 8.865 -2.112 1.00 1.24 H new ATOM 0 HD3 ARG A 98 11.950 8.552 -1.526 1.00 1.24 H new ATOM 0 HE ARG A 98 12.766 10.194 -2.933 1.00 35.11 H new ATOM 0 HH11 ARG A 98 9.746 9.024 -4.328 1.00 52.43 H new ATOM 0 HH12 ARG A 98 9.614 10.370 -5.465 1.00 52.43 H new ATOM 0 HH21 ARG A 98 12.489 12.017 -4.331 1.00 23.32 H new ATOM 0 HH22 ARG A 98 11.136 12.031 -5.467 1.00 23.32 H new ATOM 1411 N LEU A 99 10.059 3.072 -1.994 1.00 12.54 N ATOM 1412 CA LEU A 99 10.438 1.701 -1.714 1.00 35.02 C ATOM 1413 C LEU A 99 10.009 0.785 -2.854 1.00 33.32 C ATOM 1414 O LEU A 99 10.853 0.119 -3.448 1.00 61.44 O ATOM 1415 CB LEU A 99 9.843 1.304 -0.360 1.00 23.44 C ATOM 1416 CG LEU A 99 9.847 -0.201 -0.074 1.00 73.32 C ATOM 1417 CD1 LEU A 99 11.261 -0.778 -0.108 1.00 33.01 C ATOM 1418 CD2 LEU A 99 9.218 -0.388 1.301 1.00 53.11 C ATOM 0 H LEU A 99 9.370 3.441 -1.339 1.00 12.54 H new ATOM 0 HA LEU A 99 11.521 1.602 -1.648 1.00 35.02 H new ATOM 0 HB2 LEU A 99 10.399 1.811 0.428 1.00 23.44 H new ATOM 0 HB3 LEU A 99 8.816 1.667 -0.310 1.00 23.44 H new ATOM 0 HG LEU A 99 9.283 -0.733 -0.840 1.00 73.32 H new ATOM 0 HD11 LEU A 99 11.223 -1.847 0.099 1.00 33.01 H new ATOM 0 HD12 LEU A 99 11.697 -0.615 -1.094 1.00 33.01 H new ATOM 0 HD13 LEU A 99 11.874 -0.284 0.646 1.00 33.01 H new ATOM 0 HD21 LEU A 99 9.198 -1.449 1.551 1.00 53.11 H new ATOM 0 HD22 LEU A 99 9.805 0.149 2.046 1.00 53.11 H new ATOM 0 HD23 LEU A 99 8.200 0.002 1.291 1.00 53.11 H new ATOM 1429 N MET A 100 8.710 0.739 -3.150 1.00 1.11 N ATOM 1430 CA MET A 100 8.144 -0.203 -4.113 1.00 61.11 C ATOM 1431 C MET A 100 8.795 -0.067 -5.496 1.00 55.11 C ATOM 1432 O MET A 100 9.066 -1.080 -6.129 1.00 20.11 O ATOM 1433 CB MET A 100 6.639 0.008 -4.210 1.00 20.05 C ATOM 1434 CG MET A 100 5.892 -0.131 -2.880 1.00 60.01 C ATOM 1435 SD MET A 100 6.177 -1.593 -1.842 1.00 21.21 S ATOM 1436 CE MET A 100 4.588 -2.419 -2.107 1.00 64.12 C ATOM 0 H MET A 100 8.018 1.357 -2.726 1.00 1.11 H new ATOM 0 HA MET A 100 8.349 -1.213 -3.759 1.00 61.11 H new ATOM 0 HB2 MET A 100 6.449 1.001 -4.617 1.00 20.05 H new ATOM 0 HB3 MET A 100 6.229 -0.711 -4.920 1.00 20.05 H new ATOM 0 HG2 MET A 100 6.129 0.747 -2.279 1.00 60.01 H new ATOM 0 HG3 MET A 100 4.825 -0.089 -3.099 1.00 60.01 H new ATOM 0 HE1 MET A 100 4.617 -3.414 -1.663 1.00 64.12 H new ATOM 0 HE2 MET A 100 3.793 -1.836 -1.641 1.00 64.12 H new ATOM 0 HE3 MET A 100 4.396 -2.505 -3.177 1.00 64.12 H new ATOM 1444 N LYS A 101 9.170 1.160 -5.884 1.00 73.40 N ATOM 1445 CA LYS A 101 9.906 1.496 -7.110 1.00 20.22 C ATOM 1446 C LYS A 101 11.072 0.539 -7.320 1.00 73.43 C ATOM 1447 O LYS A 101 11.181 -0.155 -8.331 1.00 41.52 O ATOM 1448 CB LYS A 101 10.356 2.961 -6.962 1.00 51.24 C ATOM 1449 CG LYS A 101 10.854 3.670 -8.236 1.00 61.44 C ATOM 1450 CD LYS A 101 9.863 4.733 -8.737 1.00 60.03 C ATOM 1451 CE LYS A 101 10.533 5.991 -9.281 1.00 31.24 C ATOM 1452 NZ LYS A 101 9.498 6.986 -9.633 1.00 54.51 N ATOM 0 H LYS A 101 8.958 1.985 -5.323 1.00 73.40 H new ATOM 0 HA LYS A 101 9.283 1.390 -7.998 1.00 20.22 H new ATOM 0 HB2 LYS A 101 9.520 3.534 -6.560 1.00 51.24 H new ATOM 0 HB3 LYS A 101 11.153 2.997 -6.220 1.00 51.24 H new ATOM 0 HG2 LYS A 101 11.817 4.140 -8.035 1.00 61.44 H new ATOM 0 HG3 LYS A 101 11.018 2.931 -9.020 1.00 61.44 H new ATOM 0 HD2 LYS A 101 9.241 4.297 -9.519 1.00 60.03 H new ATOM 0 HD3 LYS A 101 9.199 5.011 -7.919 1.00 60.03 H new ATOM 0 HE2 LYS A 101 11.213 6.405 -8.536 1.00 31.24 H new ATOM 0 HE3 LYS A 101 11.132 5.747 -10.159 1.00 31.24 H new ATOM 0 HZ1 LYS A 101 9.955 7.863 -9.956 1.00 54.51 H new ATOM 0 HZ2 LYS A 101 8.897 6.608 -10.393 1.00 54.51 H new ATOM 0 HZ3 LYS A 101 8.913 7.188 -8.798 1.00 54.51 H new ATOM 1462 N LYS A 102 11.935 0.480 -6.320 1.00 0.51 N ATOM 1463 CA LYS A 102 13.110 -0.372 -6.272 1.00 44.13 C ATOM 1464 C LYS A 102 12.769 -1.857 -6.188 1.00 24.34 C ATOM 1465 O LYS A 102 13.534 -2.674 -6.693 1.00 54.33 O ATOM 1466 CB LYS A 102 13.972 0.042 -5.093 1.00 44.51 C ATOM 1467 CG LYS A 102 14.731 1.312 -5.483 1.00 12.51 C ATOM 1468 CD LYS A 102 15.426 1.941 -4.291 1.00 64.41 C ATOM 1469 CE LYS A 102 16.687 1.149 -3.931 1.00 31.33 C ATOM 1470 NZ LYS A 102 16.686 0.709 -2.526 1.00 13.13 N ATOM 0 H LYS A 102 11.830 1.051 -5.481 1.00 0.51 H new ATOM 0 HA LYS A 102 13.654 -0.239 -7.207 1.00 44.13 H new ATOM 0 HB2 LYS A 102 13.353 0.223 -4.214 1.00 44.51 H new ATOM 0 HB3 LYS A 102 14.670 -0.754 -4.833 1.00 44.51 H new ATOM 0 HG2 LYS A 102 15.468 1.074 -6.250 1.00 12.51 H new ATOM 0 HG3 LYS A 102 14.037 2.030 -5.920 1.00 12.51 H new ATOM 0 HD2 LYS A 102 15.690 2.974 -4.519 1.00 64.41 H new ATOM 0 HD3 LYS A 102 14.748 1.966 -3.438 1.00 64.41 H new ATOM 0 HE2 LYS A 102 16.765 0.279 -4.582 1.00 31.33 H new ATOM 0 HE3 LYS A 102 17.566 1.766 -4.116 1.00 31.33 H new ATOM 0 HZ1 LYS A 102 17.636 0.376 -2.266 1.00 13.13 H new ATOM 0 HZ2 LYS A 102 16.419 1.505 -1.913 1.00 13.13 H new ATOM 0 HZ3 LYS A 102 16.002 -0.065 -2.405 1.00 13.13 H new ATOM 1480 N ILE A 103 11.665 -2.237 -5.543 1.00 34.20 N ATOM 1481 CA ILE A 103 11.238 -3.630 -5.502 1.00 24.04 C ATOM 1482 C ILE A 103 10.906 -4.068 -6.938 1.00 52.22 C ATOM 1483 O ILE A 103 11.365 -5.130 -7.351 1.00 60.01 O ATOM 1484 CB ILE A 103 10.094 -3.813 -4.471 1.00 52.32 C ATOM 1485 CG1 ILE A 103 10.603 -3.491 -3.045 1.00 73.20 C ATOM 1486 CG2 ILE A 103 9.531 -5.240 -4.486 1.00 2.31 C ATOM 1487 CD1 ILE A 103 9.542 -3.618 -1.944 1.00 13.23 C ATOM 0 H ILE A 103 11.051 -1.595 -5.042 1.00 34.20 H new ATOM 0 HA ILE A 103 12.028 -4.291 -5.146 1.00 24.04 H new ATOM 0 HB ILE A 103 9.297 -3.125 -4.752 1.00 52.32 H new ATOM 0 HG12 ILE A 103 11.433 -4.158 -2.810 1.00 73.20 H new ATOM 0 HG13 ILE A 103 10.998 -2.475 -3.035 1.00 73.20 H new ATOM 0 HG21 ILE A 103 8.732 -5.324 -3.749 1.00 2.31 H new ATOM 0 HG22 ILE A 103 9.136 -5.465 -5.477 1.00 2.31 H new ATOM 0 HG23 ILE A 103 10.324 -5.947 -4.243 1.00 2.31 H new ATOM 0 HD11 ILE A 103 9.987 -3.374 -0.980 1.00 13.23 H new ATOM 0 HD12 ILE A 103 8.721 -2.931 -2.149 1.00 13.23 H new ATOM 0 HD13 ILE A 103 9.163 -4.640 -1.920 1.00 13.23 H new ATOM 1498 N ALA A 104 10.174 -3.256 -7.712 1.00 75.20 N ATOM 1499 CA ALA A 104 9.879 -3.535 -9.119 1.00 60.23 C ATOM 1500 C ALA A 104 11.147 -3.502 -9.996 1.00 34.41 C ATOM 1501 O ALA A 104 11.202 -4.128 -11.058 1.00 63.34 O ATOM 1502 CB ALA A 104 8.849 -2.519 -9.628 1.00 4.44 C ATOM 0 H ALA A 104 9.769 -2.383 -7.375 1.00 75.20 H new ATOM 0 HA ALA A 104 9.473 -4.544 -9.188 1.00 60.23 H new ATOM 0 HB1 ALA A 104 8.625 -2.721 -10.675 1.00 4.44 H new ATOM 0 HB2 ALA A 104 7.935 -2.601 -9.039 1.00 4.44 H new ATOM 0 HB3 ALA A 104 9.253 -1.511 -9.532 1.00 4.44 H new ATOM 1508 N ASP A 105 12.181 -2.771 -9.572 1.00 55.15 N ATOM 1509 CA ASP A 105 13.449 -2.677 -10.308 1.00 33.22 C ATOM 1510 C ASP A 105 14.176 -4.015 -10.266 1.00 44.24 C ATOM 1511 O ASP A 105 14.583 -4.554 -11.300 1.00 51.23 O ATOM 1512 CB ASP A 105 14.368 -1.584 -9.757 1.00 20.00 C ATOM 1513 CG ASP A 105 15.638 -1.512 -10.606 1.00 63.35 C ATOM 1514 OD1 ASP A 105 15.571 -1.047 -11.772 1.00 42.54 O ATOM 1515 OD2 ASP A 105 16.711 -1.890 -10.089 1.00 63.44 O ATOM 0 H ASP A 105 12.165 -2.227 -8.709 1.00 55.15 H new ATOM 0 HA ASP A 105 13.201 -2.413 -11.336 1.00 33.22 H new ATOM 0 HB2 ASP A 105 13.855 -0.622 -9.768 1.00 20.00 H new ATOM 0 HB3 ASP A 105 14.623 -1.797 -8.719 1.00 20.00 H new ATOM 1519 N LEU A 106 14.286 -4.553 -9.052 1.00 34.04 N ATOM 1520 CA LEU A 106 14.916 -5.828 -8.740 1.00 72.44 C ATOM 1521 C LEU A 106 14.049 -7.033 -9.120 1.00 64.22 C ATOM 1522 O LEU A 106 14.464 -8.166 -8.856 1.00 2.13 O ATOM 1523 CB LEU A 106 15.232 -5.856 -7.236 1.00 22.01 C ATOM 1524 CG LEU A 106 16.191 -4.766 -6.722 1.00 71.11 C ATOM 1525 CD1 LEU A 106 16.128 -4.671 -5.193 1.00 44.11 C ATOM 1526 CD2 LEU A 106 17.634 -5.048 -7.148 1.00 13.30 C ATOM 0 H LEU A 106 13.920 -4.087 -8.222 1.00 34.04 H new ATOM 0 HA LEU A 106 15.827 -5.910 -9.333 1.00 72.44 H new ATOM 0 HB2 LEU A 106 14.294 -5.773 -6.687 1.00 22.01 H new ATOM 0 HB3 LEU A 106 15.658 -6.829 -6.994 1.00 22.01 H new ATOM 0 HG LEU A 106 15.873 -3.820 -7.161 1.00 71.11 H new ATOM 0 HD11 LEU A 106 16.812 -3.896 -4.848 1.00 44.11 H new ATOM 0 HD12 LEU A 106 15.112 -4.422 -4.885 1.00 44.11 H new ATOM 0 HD13 LEU A 106 16.415 -5.628 -4.757 1.00 44.11 H new ATOM 0 HD21 LEU A 106 18.286 -4.260 -6.770 1.00 13.30 H new ATOM 0 HD22 LEU A 106 17.952 -6.008 -6.742 1.00 13.30 H new ATOM 0 HD23 LEU A 106 17.693 -5.076 -8.236 1.00 13.30 H new ATOM 1537 N TRP A 107 12.858 -6.809 -9.690 1.00 23.13 N ATOM 1538 CA TRP A 107 11.885 -7.866 -9.891 1.00 31.20 C ATOM 1539 C TRP A 107 12.407 -8.887 -10.883 1.00 72.24 C ATOM 1540 O TRP A 107 12.346 -10.104 -10.606 1.00 35.00 O ATOM 1541 CB TRP A 107 10.522 -7.295 -10.309 1.00 12.40 C ATOM 1542 CG TRP A 107 9.381 -8.210 -10.025 1.00 31.03 C ATOM 1543 CD1 TRP A 107 8.682 -8.946 -10.913 1.00 75.13 C ATOM 1544 CD2 TRP A 107 8.703 -8.380 -8.751 1.00 13.43 C ATOM 1545 NE1 TRP A 107 7.759 -9.709 -10.225 1.00 51.53 N ATOM 1546 CE2 TRP A 107 7.665 -9.338 -8.901 1.00 51.32 C ATOM 1547 CE3 TRP A 107 8.802 -7.721 -7.511 1.00 74.23 C ATOM 1548 CZ2 TRP A 107 6.798 -9.677 -7.854 1.00 64.14 C ATOM 1549 CZ3 TRP A 107 7.916 -8.024 -6.461 1.00 53.51 C ATOM 1550 CH2 TRP A 107 6.918 -9.002 -6.631 1.00 32.23 C ATOM 0 H TRP A 107 12.553 -5.893 -10.019 1.00 23.13 H new ATOM 0 HA TRP A 107 11.731 -8.380 -8.942 1.00 31.20 H new ATOM 0 HB2 TRP A 107 10.358 -6.351 -9.790 1.00 12.40 H new ATOM 0 HB3 TRP A 107 10.542 -7.073 -11.376 1.00 12.40 H new ATOM 0 HD1 TRP A 107 8.821 -8.940 -11.984 1.00 75.13 H new ATOM 0 HE1 TRP A 107 7.211 -10.459 -10.647 1.00 51.53 H new ATOM 0 HE3 TRP A 107 9.568 -6.974 -7.364 1.00 74.23 H new ATOM 0 HZ2 TRP A 107 6.050 -10.445 -7.987 1.00 64.14 H new ATOM 0 HZ3 TRP A 107 8.002 -7.503 -5.519 1.00 53.51 H new ATOM 0 HH2 TRP A 107 6.244 -9.233 -5.819 1.00 32.23 H new TER 1560 TRP A 107