USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 916 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 59 GLN : amide:sc= -3.23 K(o=-3.2,f=-12!) USER MOD Set 1.2: A 96 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0179 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.0384 X(o=-0.038,f=-0.038) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0011 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 14 HIS : no HD1:sc= -0.325 X(o=-0.32,f=-0.0049) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0538 K(o=-0.054,f=-0.62) USER MOD Single : A 23 ASN : amide:sc= -0.588 X(o=-0.59,f=-0.33) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0179) USER MOD Single : A 31 LYS NZ :NH3+ 158:sc=-0.00632 (180deg=-0.286) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 30:sc= -0.839 USER MOD Single : A 50 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.027) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0915 USER MOD Single : A 57 HIS :FLIP no HE2:sc= -0.694 F(o=-1.2,f=-0.69) USER MOD Single : A 63 ASN : amide:sc= -1.59 K(o=-1.6,f=-5.3!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -2.49 X(o=-2.5,f=-2.7) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.42 USER MOD Single : A 71 ASN : amide:sc= -0.0682 X(o=-0.068,f=-0.34) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 160:sc= -0.199 (180deg=-0.857) USER MOD Single : A 76 TYR OH : rot 150:sc= 0 USER MOD Single : A 81 CYS SG : rot -99:sc= 0.598 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN :FLIP amide:sc= -0.663 F(o=-2.7!,f=-0.66) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 72:sc= -0.575 USER MOD Single : A 98 SER OG : rot -35:sc= 0.0263 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.293 K(o=-0.29,f=-1.6!) USER MOD Single : A 105 MET CE :methyl 162:sc= -1.23 (180deg=-2.71) USER MOD Single : A 107 CYS SG : rot 33:sc= 0.336 USER MOD Single : A 112 SER OG : rot 180:sc= 0.589 USER MOD Single : A 113 GLN : amide:sc= -1.2 K(o=-1.2,f=-2.2!) USER MOD Single : A 115 GLN : amide:sc= -0.0378 X(o=-0.038,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 33.260 4.170 21.287 1.00 52.34 N ATOM 2 CA PRO A 2 33.530 3.299 20.139 1.00 30.44 C ATOM 3 C PRO A 2 32.314 3.140 19.233 1.00 61.11 C ATOM 4 O PRO A 2 31.296 3.805 19.422 1.00 40.51 O ATOM 5 CB PRO A 2 33.891 1.960 20.788 1.00 5.23 C ATOM 6 CG PRO A 2 33.213 1.987 22.115 1.00 64.25 C ATOM 7 CD PRO A 2 33.223 3.424 22.556 1.00 53.34 C ATOM 0 HA PRO A 2 34.312 3.703 19.496 1.00 30.44 H new ATOM 0 HB2 PRO A 2 33.545 1.121 20.184 1.00 5.23 H new ATOM 0 HB3 PRO A 2 34.970 1.851 20.897 1.00 5.23 H new ATOM 0 HG2 PRO A 2 32.193 1.609 22.040 1.00 64.25 H new ATOM 0 HG3 PRO A 2 33.735 1.355 22.833 1.00 64.25 H new ATOM 0 HD2 PRO A 2 32.337 3.671 23.142 1.00 53.34 H new ATOM 0 HD3 PRO A 2 34.089 3.647 23.179 1.00 53.34 H new ATOM 15 N SER A 3 32.427 2.254 18.248 1.00 22.05 N ATOM 16 CA SER A 3 31.338 2.010 17.310 1.00 13.43 C ATOM 17 C SER A 3 31.259 0.532 16.941 1.00 10.22 C ATOM 18 O SER A 3 32.191 -0.233 17.191 1.00 74.11 O ATOM 19 CB SER A 3 31.526 2.854 16.048 1.00 74.22 C ATOM 20 OG SER A 3 32.159 4.086 16.347 1.00 74.20 O ATOM 0 H SER A 3 33.262 1.693 18.079 1.00 22.05 H new ATOM 0 HA SER A 3 30.404 2.295 17.794 1.00 13.43 H new ATOM 0 HB2 SER A 3 32.124 2.301 15.323 1.00 74.22 H new ATOM 0 HB3 SER A 3 30.557 3.042 15.585 1.00 74.22 H new ATOM 0 HG SER A 3 32.269 4.606 15.523 1.00 74.20 H new ATOM 26 N LYS A 4 30.140 0.137 16.344 1.00 34.25 N ATOM 27 CA LYS A 4 29.937 -1.249 15.938 1.00 14.25 C ATOM 28 C LYS A 4 29.336 -1.323 14.538 1.00 20.13 C ATOM 29 O LYS A 4 28.677 -0.388 14.084 1.00 54.02 O ATOM 30 CB LYS A 4 29.023 -1.965 16.935 1.00 21.45 C ATOM 31 CG LYS A 4 29.601 -2.051 18.338 1.00 41.55 C ATOM 32 CD LYS A 4 30.596 -3.192 18.462 1.00 20.31 C ATOM 33 CE LYS A 4 30.791 -3.605 19.913 1.00 64.42 C ATOM 34 NZ LYS A 4 32.214 -3.930 20.210 1.00 1.33 N ATOM 0 H LYS A 4 29.359 0.757 16.130 1.00 34.25 H new ATOM 0 HA LYS A 4 30.908 -1.744 15.924 1.00 14.25 H new ATOM 0 HB2 LYS A 4 28.066 -1.444 16.977 1.00 21.45 H new ATOM 0 HB3 LYS A 4 28.822 -2.973 16.572 1.00 21.45 H new ATOM 0 HG2 LYS A 4 30.092 -1.110 18.589 1.00 41.55 H new ATOM 0 HG3 LYS A 4 28.794 -2.191 19.057 1.00 41.55 H new ATOM 0 HD2 LYS A 4 30.246 -4.047 17.883 1.00 20.31 H new ATOM 0 HD3 LYS A 4 31.553 -2.890 18.037 1.00 20.31 H new ATOM 0 HE2 LYS A 4 30.458 -2.800 20.568 1.00 64.42 H new ATOM 0 HE3 LYS A 4 30.167 -4.472 20.131 1.00 64.42 H new ATOM 0 HZ1 LYS A 4 32.306 -4.207 21.208 1.00 1.33 H new ATOM 0 HZ2 LYS A 4 32.525 -4.715 19.603 1.00 1.33 H new ATOM 0 HZ3 LYS A 4 32.806 -3.095 20.026 1.00 1.33 H new ATOM 48 N LYS A 5 29.567 -2.441 13.859 1.00 31.51 N ATOM 49 CA LYS A 5 29.047 -2.640 12.512 1.00 54.05 C ATOM 50 C LYS A 5 28.428 -4.027 12.366 1.00 53.50 C ATOM 51 O LYS A 5 28.482 -4.840 13.287 1.00 34.11 O ATOM 52 CB LYS A 5 30.162 -2.457 11.480 1.00 41.01 C ATOM 53 CG LYS A 5 30.760 -1.061 11.472 1.00 3.21 C ATOM 54 CD LYS A 5 32.012 -0.986 12.330 1.00 11.44 C ATOM 55 CE LYS A 5 32.422 0.455 12.593 1.00 13.33 C ATOM 56 NZ LYS A 5 33.868 0.680 12.318 1.00 30.42 N ATOM 0 H LYS A 5 30.112 -3.224 14.220 1.00 31.51 H new ATOM 0 HA LYS A 5 28.271 -1.895 12.336 1.00 54.05 H new ATOM 0 HB2 LYS A 5 30.952 -3.181 11.679 1.00 41.01 H new ATOM 0 HB3 LYS A 5 29.768 -2.680 10.488 1.00 41.01 H new ATOM 0 HG2 LYS A 5 31.001 -0.773 10.449 1.00 3.21 H new ATOM 0 HG3 LYS A 5 30.023 -0.346 11.839 1.00 3.21 H new ATOM 0 HD2 LYS A 5 31.836 -1.494 13.278 1.00 11.44 H new ATOM 0 HD3 LYS A 5 32.827 -1.512 11.833 1.00 11.44 H new ATOM 0 HE2 LYS A 5 31.826 1.122 11.970 1.00 13.33 H new ATOM 0 HE3 LYS A 5 32.206 0.710 13.630 1.00 13.33 H new ATOM 0 HZ1 LYS A 5 34.107 1.674 12.509 1.00 30.42 H new ATOM 0 HZ2 LYS A 5 34.438 0.063 12.931 1.00 30.42 H new ATOM 0 HZ3 LYS A 5 34.070 0.461 11.322 1.00 30.42 H new ATOM 70 N ASN A 6 27.842 -4.289 11.202 1.00 14.23 N ATOM 71 CA ASN A 6 27.213 -5.578 10.936 1.00 3.23 C ATOM 72 C ASN A 6 26.825 -5.701 9.466 1.00 11.41 C ATOM 73 O ASN A 6 27.468 -6.419 8.701 1.00 14.42 O ATOM 74 CB ASN A 6 25.977 -5.758 11.819 1.00 55.41 C ATOM 75 CG ASN A 6 25.119 -6.929 11.381 1.00 62.30 C ATOM 76 OD1 ASN A 6 25.591 -8.064 11.305 1.00 41.23 O ATOM 77 ND2 ASN A 6 23.852 -6.659 11.090 1.00 11.05 N ATOM 0 H ASN A 6 27.790 -3.626 10.428 1.00 14.23 H new ATOM 0 HA ASN A 6 27.934 -6.361 11.169 1.00 3.23 H new ATOM 0 HB2 ASN A 6 26.291 -5.907 12.852 1.00 55.41 H new ATOM 0 HB3 ASN A 6 25.381 -4.846 11.795 1.00 55.41 H new ATOM 0 HD21 ASN A 6 23.227 -7.407 10.789 1.00 11.05 H new ATOM 0 HD22 ASN A 6 23.503 -5.703 11.167 1.00 11.05 H new ATOM 84 N GLY A 7 25.768 -4.993 9.078 1.00 61.35 N ATOM 85 CA GLY A 7 25.312 -5.036 7.700 1.00 22.34 C ATOM 86 C GLY A 7 23.808 -5.191 7.592 1.00 23.11 C ATOM 87 O GLY A 7 23.078 -4.908 8.542 1.00 4.32 O ATOM 0 H GLY A 7 25.220 -4.391 9.692 1.00 61.35 H new ATOM 0 HA2 GLY A 7 25.618 -4.122 7.191 1.00 22.34 H new ATOM 0 HA3 GLY A 7 25.798 -5.865 7.185 1.00 22.34 H new ATOM 91 N ARG A 8 23.343 -5.640 6.431 1.00 23.40 N ATOM 92 CA ARG A 8 21.916 -5.829 6.201 1.00 21.42 C ATOM 93 C ARG A 8 21.670 -6.577 4.894 1.00 42.12 C ATOM 94 O ARG A 8 21.136 -7.686 4.892 1.00 1.12 O ATOM 95 CB ARG A 8 21.199 -4.478 6.171 1.00 24.21 C ATOM 96 CG ARG A 8 20.340 -4.217 7.397 1.00 23.04 C ATOM 97 CD ARG A 8 18.968 -3.686 7.013 1.00 31.34 C ATOM 98 NE ARG A 8 18.108 -3.498 8.179 1.00 42.12 N ATOM 99 CZ ARG A 8 16.841 -3.108 8.102 1.00 75.53 C ATOM 100 NH1 ARG A 8 16.288 -2.868 6.921 1.00 42.14 N ATOM 101 NH2 ARG A 8 16.122 -2.959 9.208 1.00 65.55 N ATOM 0 H ARG A 8 23.934 -5.880 5.635 1.00 23.40 H new ATOM 0 HA ARG A 8 21.517 -6.426 7.021 1.00 21.42 H new ATOM 0 HB2 ARG A 8 21.941 -3.684 6.082 1.00 24.21 H new ATOM 0 HB3 ARG A 8 20.572 -4.429 5.281 1.00 24.21 H new ATOM 0 HG2 ARG A 8 20.228 -5.139 7.967 1.00 23.04 H new ATOM 0 HG3 ARG A 8 20.840 -3.499 8.047 1.00 23.04 H new ATOM 0 HD2 ARG A 8 19.080 -2.737 6.489 1.00 31.34 H new ATOM 0 HD3 ARG A 8 18.492 -4.379 6.319 1.00 31.34 H new ATOM 0 HE ARG A 8 18.502 -3.676 9.103 1.00 42.12 H new ATOM 0 HH11 ARG A 8 16.836 -2.983 6.068 1.00 42.14 H new ATOM 0 HH12 ARG A 8 15.315 -2.569 6.865 1.00 42.14 H new ATOM 0 HH21 ARG A 8 16.543 -3.144 10.119 1.00 65.55 H new ATOM 0 HH22 ARG A 8 15.149 -2.659 9.147 1.00 65.55 H new ATOM 115 N SER A 9 22.063 -5.961 3.783 1.00 22.32 N ATOM 116 CA SER A 9 21.882 -6.566 2.469 1.00 73.12 C ATOM 117 C SER A 9 20.401 -6.785 2.172 1.00 64.55 C ATOM 118 O SER A 9 19.535 -6.377 2.943 1.00 55.11 O ATOM 119 CB SER A 9 22.632 -7.897 2.388 1.00 3.33 C ATOM 120 OG SER A 9 23.854 -7.837 3.104 1.00 32.43 O ATOM 0 H SER A 9 22.509 -5.044 3.767 1.00 22.32 H new ATOM 0 HA SER A 9 22.288 -5.883 1.723 1.00 73.12 H new ATOM 0 HB2 SER A 9 22.009 -8.695 2.792 1.00 3.33 H new ATOM 0 HB3 SER A 9 22.830 -8.144 1.345 1.00 3.33 H new ATOM 0 HG SER A 9 24.314 -8.700 3.039 1.00 32.43 H new ATOM 126 N GLY A 10 20.120 -7.434 1.046 1.00 60.54 N ATOM 127 CA GLY A 10 18.745 -7.697 0.665 1.00 74.42 C ATOM 128 C GLY A 10 17.969 -6.427 0.378 1.00 45.23 C ATOM 129 O GLY A 10 18.540 -5.346 0.227 1.00 25.53 O ATOM 0 H GLY A 10 20.820 -7.782 0.391 1.00 60.54 H new ATOM 0 HA2 GLY A 10 18.732 -8.334 -0.219 1.00 74.42 H new ATOM 0 HA3 GLY A 10 18.249 -8.249 1.463 1.00 74.42 H new ATOM 133 N PRO A 11 16.636 -6.548 0.296 1.00 21.03 N ATOM 134 CA PRO A 11 15.753 -5.410 0.023 1.00 20.33 C ATOM 135 C PRO A 11 15.691 -4.432 1.191 1.00 11.50 C ATOM 136 O PRO A 11 15.746 -4.834 2.353 1.00 55.03 O ATOM 137 CB PRO A 11 14.388 -6.066 -0.198 1.00 33.00 C ATOM 138 CG PRO A 11 14.458 -7.350 0.555 1.00 54.23 C ATOM 139 CD PRO A 11 15.888 -7.805 0.465 1.00 70.11 C ATOM 0 HA PRO A 11 16.099 -4.819 -0.825 1.00 20.33 H new ATOM 0 HB2 PRO A 11 13.581 -5.434 0.172 1.00 33.00 H new ATOM 0 HB3 PRO A 11 14.198 -6.238 -1.257 1.00 33.00 H new ATOM 0 HG2 PRO A 11 14.158 -7.210 1.593 1.00 54.23 H new ATOM 0 HG3 PRO A 11 13.785 -8.092 0.125 1.00 54.23 H new ATOM 0 HD2 PRO A 11 16.197 -8.339 1.364 1.00 70.11 H new ATOM 0 HD3 PRO A 11 16.042 -8.481 -0.376 1.00 70.11 H new ATOM 147 N GLN A 12 15.576 -3.146 0.874 1.00 1.11 N ATOM 148 CA GLN A 12 15.507 -2.110 1.898 1.00 32.43 C ATOM 149 C GLN A 12 14.104 -1.518 1.980 1.00 74.33 C ATOM 150 O GLN A 12 13.301 -1.632 1.053 1.00 34.55 O ATOM 151 CB GLN A 12 16.523 -1.005 1.606 1.00 63.41 C ATOM 152 CG GLN A 12 17.868 -1.221 2.281 1.00 31.43 C ATOM 153 CD GLN A 12 18.945 -1.661 1.310 1.00 42.14 C ATOM 154 OE1 GLN A 12 19.234 -0.971 0.331 1.00 31.12 O ATOM 155 NE2 GLN A 12 19.547 -2.815 1.575 1.00 40.45 N ATOM 0 H GLN A 12 15.529 -2.797 -0.083 1.00 1.11 H new ATOM 0 HA GLN A 12 15.745 -2.568 2.858 1.00 32.43 H new ATOM 0 HB2 GLN A 12 16.673 -0.937 0.529 1.00 63.41 H new ATOM 0 HB3 GLN A 12 16.112 -0.050 1.932 1.00 63.41 H new ATOM 0 HG2 GLN A 12 18.179 -0.296 2.767 1.00 31.43 H new ATOM 0 HG3 GLN A 12 17.761 -1.972 3.063 1.00 31.43 H new ATOM 0 HE21 GLN A 12 19.276 -3.354 2.397 1.00 40.45 H new ATOM 0 HE22 GLN A 12 20.280 -3.162 0.956 1.00 40.45 H new ATOM 164 N PRO A 13 13.799 -0.870 3.114 1.00 61.30 N ATOM 165 CA PRO A 13 12.492 -0.247 3.343 1.00 22.23 C ATOM 166 C PRO A 13 12.274 0.982 2.467 1.00 22.33 C ATOM 167 O PRO A 13 13.188 1.781 2.263 1.00 65.01 O ATOM 168 CB PRO A 13 12.544 0.151 4.820 1.00 15.23 C ATOM 169 CG PRO A 13 13.994 0.311 5.119 1.00 22.04 C ATOM 170 CD PRO A 13 14.708 -0.696 4.260 1.00 55.43 C ATOM 0 HA PRO A 13 11.670 -0.920 3.097 1.00 22.23 H new ATOM 0 HB2 PRO A 13 11.998 1.077 5.000 1.00 15.23 H new ATOM 0 HB3 PRO A 13 12.092 -0.613 5.452 1.00 15.23 H new ATOM 0 HG2 PRO A 13 14.329 1.323 4.894 1.00 22.04 H new ATOM 0 HG3 PRO A 13 14.196 0.136 6.176 1.00 22.04 H new ATOM 0 HD2 PRO A 13 15.687 -0.334 3.945 1.00 55.43 H new ATOM 0 HD3 PRO A 13 14.870 -1.634 4.791 1.00 55.43 H new ATOM 178 N HIS A 14 11.058 1.127 1.952 1.00 15.30 N ATOM 179 CA HIS A 14 10.719 2.261 1.098 1.00 24.52 C ATOM 180 C HIS A 14 9.501 3.003 1.639 1.00 42.44 C ATOM 181 O HIS A 14 8.917 2.608 2.648 1.00 52.24 O ATOM 182 CB HIS A 14 10.450 1.787 -0.331 1.00 4.35 C ATOM 183 CG HIS A 14 11.513 0.880 -0.871 1.00 53.51 C ATOM 184 ND1 HIS A 14 11.277 -0.434 -1.214 1.00 71.14 N ATOM 185 CD2 HIS A 14 12.822 1.106 -1.129 1.00 22.01 C ATOM 186 CE1 HIS A 14 12.396 -0.978 -1.658 1.00 72.42 C ATOM 187 NE2 HIS A 14 13.349 -0.065 -1.617 1.00 14.30 N ATOM 0 H HIS A 14 10.290 0.474 2.111 1.00 15.30 H new ATOM 0 HA HIS A 14 11.566 2.947 1.092 1.00 24.52 H new ATOM 0 HB2 HIS A 14 9.492 1.267 -0.359 1.00 4.35 H new ATOM 0 HB3 HIS A 14 10.360 2.656 -0.983 1.00 4.35 H new ATOM 0 HD2 HIS A 14 13.353 2.034 -0.979 1.00 22.01 H new ATOM 0 HE1 HIS A 14 12.512 -1.997 -1.997 1.00 72.42 H new ATOM 0 HE2 HIS A 14 14.318 -0.206 -1.901 1.00 14.30 H new ATOM 195 N LYS A 15 9.123 4.082 0.961 1.00 45.11 N ATOM 196 CA LYS A 15 7.975 4.881 1.371 1.00 32.25 C ATOM 197 C LYS A 15 6.768 4.595 0.483 1.00 2.51 C ATOM 198 O LYS A 15 5.820 5.379 0.438 1.00 13.10 O ATOM 199 CB LYS A 15 8.319 6.371 1.319 1.00 0.11 C ATOM 200 CG LYS A 15 8.975 6.798 0.018 1.00 51.55 C ATOM 201 CD LYS A 15 10.416 7.230 0.234 1.00 33.24 C ATOM 202 CE LYS A 15 10.787 8.404 -0.659 1.00 34.41 C ATOM 203 NZ LYS A 15 12.258 8.500 -0.866 1.00 1.15 N ATOM 0 H LYS A 15 9.596 4.423 0.124 1.00 45.11 H new ATOM 0 HA LYS A 15 7.722 4.609 2.396 1.00 32.25 H new ATOM 0 HB2 LYS A 15 7.408 6.951 1.464 1.00 0.11 H new ATOM 0 HB3 LYS A 15 8.985 6.611 2.148 1.00 0.11 H new ATOM 0 HG2 LYS A 15 8.945 5.973 -0.694 1.00 51.55 H new ATOM 0 HG3 LYS A 15 8.410 7.620 -0.422 1.00 51.55 H new ATOM 0 HD2 LYS A 15 10.561 7.506 1.278 1.00 33.24 H new ATOM 0 HD3 LYS A 15 11.082 6.392 0.030 1.00 33.24 H new ATOM 0 HE2 LYS A 15 10.291 8.298 -1.624 1.00 34.41 H new ATOM 0 HE3 LYS A 15 10.422 9.329 -0.213 1.00 34.41 H new ATOM 0 HZ1 LYS A 15 12.470 9.312 -1.480 1.00 1.15 H new ATOM 0 HZ2 LYS A 15 12.730 8.627 0.052 1.00 1.15 H new ATOM 0 HZ3 LYS A 15 12.603 7.628 -1.315 1.00 1.15 H new ATOM 217 N ARG A 16 6.810 3.469 -0.221 1.00 24.14 N ATOM 218 CA ARG A 16 5.720 3.081 -1.107 1.00 61.42 C ATOM 219 C ARG A 16 5.460 1.579 -1.024 1.00 45.23 C ATOM 220 O ARG A 16 6.375 0.771 -1.188 1.00 52.42 O ATOM 221 CB ARG A 16 6.043 3.474 -2.550 1.00 13.32 C ATOM 222 CG ARG A 16 6.189 4.973 -2.754 1.00 15.41 C ATOM 223 CD ARG A 16 7.629 5.357 -3.053 1.00 42.34 C ATOM 224 NE ARG A 16 7.801 6.804 -3.149 1.00 5.45 N ATOM 225 CZ ARG A 16 8.893 7.384 -3.634 1.00 44.15 C ATOM 226 NH1 ARG A 16 9.904 6.644 -4.067 1.00 63.45 N ATOM 227 NH2 ARG A 16 8.975 8.707 -3.689 1.00 4.45 N ATOM 0 H ARG A 16 7.587 2.809 -0.195 1.00 24.14 H new ATOM 0 HA ARG A 16 4.820 3.607 -0.787 1.00 61.42 H new ATOM 0 HB2 ARG A 16 6.968 2.983 -2.853 1.00 13.32 H new ATOM 0 HB3 ARG A 16 5.255 3.102 -3.204 1.00 13.32 H new ATOM 0 HG2 ARG A 16 5.548 5.294 -3.575 1.00 15.41 H new ATOM 0 HG3 ARG A 16 5.849 5.498 -1.861 1.00 15.41 H new ATOM 0 HD2 ARG A 16 8.278 4.966 -2.270 1.00 42.34 H new ATOM 0 HD3 ARG A 16 7.941 4.892 -3.988 1.00 42.34 H new ATOM 0 HE ARG A 16 7.041 7.402 -2.826 1.00 5.45 H new ATOM 0 HH11 ARG A 16 9.845 5.626 -4.028 1.00 63.45 H new ATOM 0 HH12 ARG A 16 10.741 7.092 -4.439 1.00 63.45 H new ATOM 0 HH21 ARG A 16 8.199 9.280 -3.359 1.00 4.45 H new ATOM 0 HH22 ARG A 16 9.814 9.151 -4.062 1.00 4.45 H new ATOM 241 N TRP A 17 4.210 1.214 -0.769 1.00 35.03 N ATOM 242 CA TRP A 17 3.830 -0.190 -0.664 1.00 31.45 C ATOM 243 C TRP A 17 2.375 -0.393 -1.074 1.00 25.34 C ATOM 244 O TRP A 17 1.496 0.373 -0.680 1.00 5.42 O ATOM 245 CB TRP A 17 4.045 -0.692 0.765 1.00 34.33 C ATOM 246 CG TRP A 17 5.490 -0.850 1.128 1.00 21.25 C ATOM 247 CD1 TRP A 17 6.280 0.064 1.766 1.00 54.03 C ATOM 248 CD2 TRP A 17 6.318 -1.990 0.874 1.00 61.11 C ATOM 249 NE1 TRP A 17 7.549 -0.439 1.923 1.00 53.05 N ATOM 250 CE2 TRP A 17 7.598 -1.698 1.385 1.00 51.23 C ATOM 251 CE3 TRP A 17 6.103 -3.230 0.266 1.00 14.13 C ATOM 252 CZ2 TRP A 17 8.655 -2.600 1.304 1.00 22.20 C ATOM 253 CZ3 TRP A 17 7.153 -4.124 0.187 1.00 70.33 C ATOM 254 CH2 TRP A 17 8.416 -3.806 0.704 1.00 70.52 C ATOM 0 H TRP A 17 3.442 1.870 -0.631 1.00 35.03 H new ATOM 0 HA TRP A 17 4.462 -0.763 -1.342 1.00 31.45 H new ATOM 0 HB2 TRP A 17 3.577 0.004 1.461 1.00 34.33 H new ATOM 0 HB3 TRP A 17 3.541 -1.651 0.885 1.00 34.33 H new ATOM 0 HD1 TRP A 17 5.955 1.039 2.098 1.00 54.03 H new ATOM 0 HE1 TRP A 17 8.328 0.046 2.368 1.00 53.05 H new ATOM 0 HE3 TRP A 17 5.133 -3.485 -0.135 1.00 14.13 H new ATOM 0 HZ2 TRP A 17 9.629 -2.356 1.701 1.00 22.20 H new ATOM 0 HZ3 TRP A 17 6.998 -5.085 -0.281 1.00 70.33 H new ATOM 0 HH2 TRP A 17 9.216 -4.527 0.627 1.00 70.52 H new ATOM 265 N VAL A 18 2.128 -1.431 -1.867 1.00 11.12 N ATOM 266 CA VAL A 18 0.779 -1.735 -2.329 1.00 70.01 C ATOM 267 C VAL A 18 0.243 -3.000 -1.667 1.00 43.51 C ATOM 268 O VAL A 18 1.006 -3.804 -1.132 1.00 63.11 O ATOM 269 CB VAL A 18 0.736 -1.912 -3.859 1.00 3.14 C ATOM 270 CG1 VAL A 18 1.235 -0.655 -4.556 1.00 22.43 C ATOM 271 CG2 VAL A 18 1.554 -3.124 -4.277 1.00 63.32 C ATOM 0 H VAL A 18 2.844 -2.075 -2.203 1.00 11.12 H new ATOM 0 HA VAL A 18 0.151 -0.889 -2.051 1.00 70.01 H new ATOM 0 HB VAL A 18 -0.298 -2.079 -4.160 1.00 3.14 H new ATOM 0 HG11 VAL A 18 1.197 -0.798 -5.636 1.00 22.43 H new ATOM 0 HG12 VAL A 18 0.603 0.189 -4.280 1.00 22.43 H new ATOM 0 HG13 VAL A 18 2.262 -0.454 -4.252 1.00 22.43 H new ATOM 0 HG21 VAL A 18 1.513 -3.235 -5.361 1.00 63.32 H new ATOM 0 HG22 VAL A 18 2.590 -2.989 -3.965 1.00 63.32 H new ATOM 0 HG23 VAL A 18 1.146 -4.018 -3.805 1.00 63.32 H new ATOM 281 N PHE A 19 -1.074 -3.169 -1.707 1.00 72.13 N ATOM 282 CA PHE A 19 -1.713 -4.336 -1.111 1.00 32.33 C ATOM 283 C PHE A 19 -2.793 -4.896 -2.032 1.00 52.53 C ATOM 284 O PHE A 19 -3.469 -4.149 -2.742 1.00 23.22 O ATOM 285 CB PHE A 19 -2.322 -3.973 0.245 1.00 21.44 C ATOM 286 CG PHE A 19 -3.292 -2.829 0.180 1.00 1.50 C ATOM 287 CD1 PHE A 19 -2.838 -1.521 0.112 1.00 24.33 C ATOM 288 CD2 PHE A 19 -4.658 -3.060 0.187 1.00 51.51 C ATOM 289 CE1 PHE A 19 -3.728 -0.465 0.052 1.00 65.43 C ATOM 290 CE2 PHE A 19 -5.553 -2.008 0.126 1.00 3.20 C ATOM 291 CZ PHE A 19 -5.087 -0.709 0.060 1.00 61.14 C ATOM 0 H PHE A 19 -1.720 -2.513 -2.146 1.00 72.13 H new ATOM 0 HA PHE A 19 -0.951 -5.102 -0.967 1.00 32.33 H new ATOM 0 HB2 PHE A 19 -2.831 -4.847 0.651 1.00 21.44 H new ATOM 0 HB3 PHE A 19 -1.520 -3.720 0.938 1.00 21.44 H new ATOM 0 HD1 PHE A 19 -1.776 -1.325 0.106 1.00 24.33 H new ATOM 0 HD2 PHE A 19 -5.028 -4.073 0.241 1.00 51.51 H new ATOM 0 HE1 PHE A 19 -3.361 0.549 -0.001 1.00 65.43 H new ATOM 0 HE2 PHE A 19 -6.616 -2.201 0.130 1.00 3.20 H new ATOM 0 HZ PHE A 19 -5.785 0.114 0.015 1.00 61.14 H new ATOM 301 N THR A 20 -2.950 -6.216 -2.017 1.00 54.41 N ATOM 302 CA THR A 20 -3.946 -6.876 -2.852 1.00 21.45 C ATOM 303 C THR A 20 -4.496 -8.123 -2.168 1.00 60.24 C ATOM 304 O THR A 20 -3.737 -8.980 -1.712 1.00 52.41 O ATOM 305 CB THR A 20 -3.359 -7.271 -4.220 1.00 32.31 C ATOM 306 OG1 THR A 20 -2.104 -7.936 -4.041 1.00 62.42 O ATOM 307 CG2 THR A 20 -3.169 -6.046 -5.101 1.00 3.10 C ATOM 0 H THR A 20 -2.400 -6.849 -1.436 1.00 54.41 H new ATOM 0 HA THR A 20 -4.755 -6.162 -3.005 1.00 21.45 H new ATOM 0 HB THR A 20 -4.060 -7.946 -4.710 1.00 32.31 H new ATOM 0 HG1 THR A 20 -1.738 -8.185 -4.915 1.00 62.42 H new ATOM 0 HG21 THR A 20 -2.753 -6.350 -6.062 1.00 3.10 H new ATOM 0 HG22 THR A 20 -4.131 -5.559 -5.260 1.00 3.10 H new ATOM 0 HG23 THR A 20 -2.486 -5.350 -4.614 1.00 3.10 H new ATOM 315 N LEU A 21 -5.819 -8.220 -2.101 1.00 71.23 N ATOM 316 CA LEU A 21 -6.472 -9.364 -1.474 1.00 24.22 C ATOM 317 C LEU A 21 -7.680 -9.815 -2.287 1.00 75.32 C ATOM 318 O LEU A 21 -8.466 -8.994 -2.758 1.00 43.40 O ATOM 319 CB LEU A 21 -6.904 -9.012 -0.049 1.00 43.14 C ATOM 320 CG LEU A 21 -7.480 -10.160 0.781 1.00 44.33 C ATOM 321 CD1 LEU A 21 -6.455 -10.656 1.789 1.00 0.52 C ATOM 322 CD2 LEU A 21 -8.755 -9.721 1.485 1.00 10.21 C ATOM 0 H LEU A 21 -6.461 -7.520 -2.473 1.00 71.23 H new ATOM 0 HA LEU A 21 -5.756 -10.185 -1.438 1.00 24.22 H new ATOM 0 HB2 LEU A 21 -6.043 -8.604 0.480 1.00 43.14 H new ATOM 0 HB3 LEU A 21 -7.650 -8.219 -0.102 1.00 43.14 H new ATOM 0 HG LEU A 21 -7.725 -10.982 0.109 1.00 44.33 H new ATOM 0 HD11 LEU A 21 -6.882 -11.473 2.371 1.00 0.52 H new ATOM 0 HD12 LEU A 21 -5.569 -11.010 1.262 1.00 0.52 H new ATOM 0 HD13 LEU A 21 -6.178 -9.841 2.457 1.00 0.52 H new ATOM 0 HD21 LEU A 21 -9.151 -10.550 2.071 1.00 10.21 H new ATOM 0 HD22 LEU A 21 -8.536 -8.882 2.146 1.00 10.21 H new ATOM 0 HD23 LEU A 21 -9.493 -9.415 0.744 1.00 10.21 H new ATOM 334 N ASN A 22 -7.824 -11.127 -2.446 1.00 71.04 N ATOM 335 CA ASN A 22 -8.939 -11.688 -3.201 1.00 43.25 C ATOM 336 C ASN A 22 -10.173 -11.840 -2.318 1.00 0.44 C ATOM 337 O ASN A 22 -10.086 -12.325 -1.190 1.00 43.54 O ATOM 338 CB ASN A 22 -8.550 -13.045 -3.792 1.00 14.21 C ATOM 339 CG ASN A 22 -8.268 -14.081 -2.722 1.00 21.54 C ATOM 340 OD1 ASN A 22 -7.176 -14.122 -2.154 1.00 71.53 O ATOM 341 ND2 ASN A 22 -9.254 -14.926 -2.441 1.00 42.21 N ATOM 0 H ASN A 22 -7.183 -11.821 -2.062 1.00 71.04 H new ATOM 0 HA ASN A 22 -9.178 -11.001 -4.012 1.00 43.25 H new ATOM 0 HB2 ASN A 22 -9.354 -13.402 -4.436 1.00 14.21 H new ATOM 0 HB3 ASN A 22 -7.667 -12.925 -4.420 1.00 14.21 H new ATOM 0 HD21 ASN A 22 -9.122 -15.645 -1.730 1.00 42.21 H new ATOM 0 HD22 ASN A 22 -10.143 -14.856 -2.937 1.00 42.21 H new ATOM 348 N ASN A 23 -11.322 -11.422 -2.838 1.00 51.45 N ATOM 349 CA ASN A 23 -12.575 -11.511 -2.097 1.00 3.01 C ATOM 350 C ASN A 23 -12.432 -10.890 -0.711 1.00 2.12 C ATOM 351 O ASN A 23 -12.500 -11.572 0.312 1.00 1.52 O ATOM 352 CB ASN A 23 -13.014 -12.971 -1.971 1.00 22.20 C ATOM 353 CG ASN A 23 -14.295 -13.123 -1.175 1.00 15.14 C ATOM 354 OD1 ASN A 23 -14.393 -13.975 -0.291 1.00 53.31 O ATOM 355 ND2 ASN A 23 -15.286 -12.295 -1.485 1.00 12.21 N ATOM 0 H ASN A 23 -11.412 -11.018 -3.770 1.00 51.45 H new ATOM 0 HA ASN A 23 -13.335 -10.956 -2.648 1.00 3.01 H new ATOM 0 HB2 ASN A 23 -13.156 -13.392 -2.966 1.00 22.20 H new ATOM 0 HB3 ASN A 23 -12.221 -13.546 -1.492 1.00 22.20 H new ATOM 0 HD21 ASN A 23 -16.172 -12.350 -0.983 1.00 12.21 H new ATOM 0 HD22 ASN A 23 -15.161 -11.604 -2.225 1.00 12.21 H new ATOM 362 N PRO A 24 -12.229 -9.564 -0.674 1.00 73.43 N ATOM 363 CA PRO A 24 -12.074 -8.822 0.580 1.00 42.42 C ATOM 364 C PRO A 24 -13.374 -8.743 1.372 1.00 32.54 C ATOM 365 O PRO A 24 -14.451 -8.576 0.801 1.00 75.21 O ATOM 366 CB PRO A 24 -11.646 -7.427 0.115 1.00 31.14 C ATOM 367 CG PRO A 24 -12.188 -7.306 -1.267 1.00 43.41 C ATOM 368 CD PRO A 24 -12.137 -8.689 -1.855 1.00 12.23 C ATOM 0 HA PRO A 24 -11.361 -9.301 1.251 1.00 42.42 H new ATOM 0 HB2 PRO A 24 -12.048 -6.652 0.767 1.00 31.14 H new ATOM 0 HB3 PRO A 24 -10.561 -7.322 0.125 1.00 31.14 H new ATOM 0 HG2 PRO A 24 -13.209 -6.925 -1.254 1.00 43.41 H new ATOM 0 HG3 PRO A 24 -11.595 -6.608 -1.859 1.00 43.41 H new ATOM 0 HD2 PRO A 24 -12.960 -8.862 -2.548 1.00 12.23 H new ATOM 0 HD3 PRO A 24 -11.213 -8.857 -2.409 1.00 12.23 H new ATOM 376 N SER A 25 -13.266 -8.865 2.692 1.00 70.34 N ATOM 377 CA SER A 25 -14.434 -8.812 3.562 1.00 14.35 C ATOM 378 C SER A 25 -14.686 -7.387 4.046 1.00 14.13 C ATOM 379 O SER A 25 -13.781 -6.554 4.053 1.00 0.32 O ATOM 380 CB SER A 25 -14.246 -9.744 4.761 1.00 14.31 C ATOM 381 OG SER A 25 -14.974 -10.948 4.590 1.00 12.40 O ATOM 0 H SER A 25 -12.381 -9.001 3.181 1.00 70.34 H new ATOM 0 HA SER A 25 -15.300 -9.141 2.987 1.00 14.35 H new ATOM 0 HB2 SER A 25 -13.187 -9.970 4.887 1.00 14.31 H new ATOM 0 HB3 SER A 25 -14.575 -9.242 5.671 1.00 14.31 H new ATOM 0 HG SER A 25 -14.836 -11.527 5.368 1.00 12.40 H new ATOM 387 N GLU A 26 -15.924 -7.116 4.450 1.00 4.12 N ATOM 388 CA GLU A 26 -16.295 -5.792 4.935 1.00 54.11 C ATOM 389 C GLU A 26 -15.434 -5.388 6.128 1.00 13.41 C ATOM 390 O GLU A 26 -15.172 -4.205 6.346 1.00 54.52 O ATOM 391 CB GLU A 26 -17.774 -5.765 5.327 1.00 53.52 C ATOM 392 CG GLU A 26 -18.089 -6.574 6.573 1.00 23.43 C ATOM 393 CD GLU A 26 -19.573 -6.625 6.877 1.00 14.12 C ATOM 394 OE1 GLU A 26 -20.201 -5.547 6.946 1.00 31.34 O ATOM 395 OE2 GLU A 26 -20.108 -7.741 7.046 1.00 45.21 O ATOM 0 H GLU A 26 -16.685 -7.795 4.451 1.00 4.12 H new ATOM 0 HA GLU A 26 -16.126 -5.077 4.129 1.00 54.11 H new ATOM 0 HB2 GLU A 26 -18.079 -4.731 5.489 1.00 53.52 H new ATOM 0 HB3 GLU A 26 -18.368 -6.147 4.497 1.00 53.52 H new ATOM 0 HG2 GLU A 26 -17.713 -7.589 6.447 1.00 23.43 H new ATOM 0 HG3 GLU A 26 -17.562 -6.143 7.424 1.00 23.43 H new ATOM 402 N ASP A 27 -14.998 -6.379 6.898 1.00 43.44 N ATOM 403 CA ASP A 27 -14.166 -6.128 8.069 1.00 43.43 C ATOM 404 C ASP A 27 -12.759 -5.708 7.656 1.00 45.34 C ATOM 405 O ASP A 27 -12.227 -4.715 8.152 1.00 65.32 O ATOM 406 CB ASP A 27 -14.101 -7.375 8.951 1.00 23.03 C ATOM 407 CG ASP A 27 -14.980 -7.261 10.181 1.00 1.41 C ATOM 408 OD1 ASP A 27 -16.207 -7.094 10.020 1.00 53.00 O ATOM 409 OD2 ASP A 27 -14.441 -7.339 11.305 1.00 42.44 O ATOM 0 H ASP A 27 -15.207 -7.364 6.732 1.00 43.44 H new ATOM 0 HA ASP A 27 -14.617 -5.314 8.637 1.00 43.43 H new ATOM 0 HB2 ASP A 27 -14.407 -8.244 8.369 1.00 23.03 H new ATOM 0 HB3 ASP A 27 -13.069 -7.545 9.260 1.00 23.03 H new ATOM 414 N GLU A 28 -12.162 -6.471 6.745 1.00 2.13 N ATOM 415 CA GLU A 28 -10.816 -6.178 6.268 1.00 65.12 C ATOM 416 C GLU A 28 -10.781 -4.849 5.518 1.00 72.51 C ATOM 417 O GLU A 28 -9.922 -4.004 5.770 1.00 33.32 O ATOM 418 CB GLU A 28 -10.317 -7.303 5.358 1.00 52.21 C ATOM 419 CG GLU A 28 -9.118 -8.050 5.915 1.00 24.44 C ATOM 420 CD GLU A 28 -9.516 -9.214 6.802 1.00 10.14 C ATOM 421 OE1 GLU A 28 -10.152 -8.970 7.850 1.00 64.24 O ATOM 422 OE2 GLU A 28 -9.192 -10.367 6.450 1.00 34.32 O ATOM 0 H GLU A 28 -12.589 -7.296 6.323 1.00 2.13 H new ATOM 0 HA GLU A 28 -10.160 -6.103 7.135 1.00 65.12 H new ATOM 0 HB2 GLU A 28 -11.129 -8.010 5.190 1.00 52.21 H new ATOM 0 HB3 GLU A 28 -10.054 -6.884 4.387 1.00 52.21 H new ATOM 0 HG2 GLU A 28 -8.509 -8.419 5.090 1.00 24.44 H new ATOM 0 HG3 GLU A 28 -8.497 -7.359 6.485 1.00 24.44 H new ATOM 429 N ARG A 29 -11.721 -4.673 4.595 1.00 61.42 N ATOM 430 CA ARG A 29 -11.798 -3.449 3.807 1.00 63.34 C ATOM 431 C ARG A 29 -11.997 -2.234 4.708 1.00 61.13 C ATOM 432 O ARG A 29 -11.482 -1.151 4.430 1.00 13.52 O ATOM 433 CB ARG A 29 -12.941 -3.540 2.795 1.00 73.05 C ATOM 434 CG ARG A 29 -12.518 -4.099 1.446 1.00 32.30 C ATOM 435 CD ARG A 29 -13.704 -4.664 0.680 1.00 15.31 C ATOM 436 NE ARG A 29 -14.559 -3.610 0.140 1.00 12.44 N ATOM 437 CZ ARG A 29 -15.786 -3.823 -0.323 1.00 22.15 C ATOM 438 NH1 ARG A 29 -16.299 -5.046 -0.311 1.00 41.41 N ATOM 439 NH2 ARG A 29 -16.502 -2.812 -0.798 1.00 32.23 N ATOM 0 H ARG A 29 -12.440 -5.362 4.375 1.00 61.42 H new ATOM 0 HA ARG A 29 -10.856 -3.332 3.271 1.00 63.34 H new ATOM 0 HB2 ARG A 29 -13.731 -4.168 3.207 1.00 73.05 H new ATOM 0 HB3 ARG A 29 -13.366 -2.547 2.650 1.00 73.05 H new ATOM 0 HG2 ARG A 29 -12.045 -3.313 0.858 1.00 32.30 H new ATOM 0 HG3 ARG A 29 -11.772 -4.881 1.592 1.00 32.30 H new ATOM 0 HD2 ARG A 29 -13.343 -5.292 -0.135 1.00 15.31 H new ATOM 0 HD3 ARG A 29 -14.290 -5.304 1.340 1.00 15.31 H new ATOM 0 HE ARG A 29 -14.194 -2.658 0.117 1.00 12.44 H new ATOM 0 HH11 ARG A 29 -15.751 -5.825 0.054 1.00 41.41 H new ATOM 0 HH12 ARG A 29 -17.241 -5.207 -0.667 1.00 41.41 H new ATOM 0 HH21 ARG A 29 -16.111 -1.870 -0.808 1.00 32.23 H new ATOM 0 HH22 ARG A 29 -17.444 -2.977 -1.153 1.00 32.23 H new ATOM 453 N LYS A 30 -12.748 -2.422 5.788 1.00 44.42 N ATOM 454 CA LYS A 30 -13.015 -1.342 6.731 1.00 32.40 C ATOM 455 C LYS A 30 -11.757 -0.978 7.512 1.00 2.02 C ATOM 456 O LYS A 30 -11.526 0.189 7.828 1.00 2.32 O ATOM 457 CB LYS A 30 -14.129 -1.748 7.699 1.00 55.44 C ATOM 458 CG LYS A 30 -15.519 -1.365 7.220 1.00 13.35 C ATOM 459 CD LYS A 30 -16.574 -1.670 8.270 1.00 32.55 C ATOM 460 CE LYS A 30 -17.963 -1.757 7.657 1.00 52.34 C ATOM 461 NZ LYS A 30 -18.378 -0.466 7.039 1.00 21.54 N ATOM 0 H LYS A 30 -13.182 -3.312 6.032 1.00 44.42 H new ATOM 0 HA LYS A 30 -13.334 -0.468 6.164 1.00 32.40 H new ATOM 0 HB2 LYS A 30 -14.091 -2.826 7.852 1.00 55.44 H new ATOM 0 HB3 LYS A 30 -13.946 -1.282 8.667 1.00 55.44 H new ATOM 0 HG2 LYS A 30 -15.542 -0.302 6.978 1.00 13.35 H new ATOM 0 HG3 LYS A 30 -15.751 -1.906 6.302 1.00 13.35 H new ATOM 0 HD2 LYS A 30 -16.334 -2.611 8.765 1.00 32.55 H new ATOM 0 HD3 LYS A 30 -16.561 -0.894 9.036 1.00 32.55 H new ATOM 0 HE2 LYS A 30 -17.978 -2.543 6.902 1.00 52.34 H new ATOM 0 HE3 LYS A 30 -18.682 -2.040 8.426 1.00 52.34 H new ATOM 0 HZ1 LYS A 30 -19.361 -0.540 6.708 1.00 21.54 H new ATOM 0 HZ2 LYS A 30 -18.307 0.295 7.744 1.00 21.54 H new ATOM 0 HZ3 LYS A 30 -17.756 -0.251 6.233 1.00 21.54 H new ATOM 475 N LYS A 31 -10.945 -1.984 7.820 1.00 41.22 N ATOM 476 CA LYS A 31 -9.708 -1.770 8.561 1.00 1.25 C ATOM 477 C LYS A 31 -8.750 -0.879 7.777 1.00 60.34 C ATOM 478 O LYS A 31 -8.237 0.110 8.301 1.00 71.12 O ATOM 479 CB LYS A 31 -9.037 -3.110 8.872 1.00 41.31 C ATOM 480 CG LYS A 31 -7.642 -2.970 9.457 1.00 33.43 C ATOM 481 CD LYS A 31 -6.587 -3.542 8.526 1.00 43.14 C ATOM 482 CE LYS A 31 -6.095 -4.899 9.006 1.00 53.23 C ATOM 483 NZ LYS A 31 -7.223 -5.833 9.276 1.00 21.22 N ATOM 0 H LYS A 31 -11.122 -2.956 7.567 1.00 41.22 H new ATOM 0 HA LYS A 31 -9.957 -1.270 9.497 1.00 1.25 H new ATOM 0 HB2 LYS A 31 -9.661 -3.666 9.572 1.00 41.31 H new ATOM 0 HB3 LYS A 31 -8.981 -3.700 7.957 1.00 41.31 H new ATOM 0 HG2 LYS A 31 -7.430 -1.918 9.646 1.00 33.43 H new ATOM 0 HG3 LYS A 31 -7.596 -3.482 10.418 1.00 33.43 H new ATOM 0 HD2 LYS A 31 -7.000 -3.638 7.522 1.00 43.14 H new ATOM 0 HD3 LYS A 31 -5.746 -2.852 8.460 1.00 43.14 H new ATOM 0 HE2 LYS A 31 -5.436 -5.333 8.254 1.00 53.23 H new ATOM 0 HE3 LYS A 31 -5.504 -4.771 9.913 1.00 53.23 H new ATOM 0 HZ1 LYS A 31 -6.879 -6.814 9.234 1.00 21.22 H new ATOM 0 HZ2 LYS A 31 -7.613 -5.643 10.221 1.00 21.22 H new ATOM 0 HZ3 LYS A 31 -7.966 -5.696 8.561 1.00 21.22 H new ATOM 497 N ILE A 32 -8.515 -1.236 6.518 1.00 4.24 N ATOM 498 CA ILE A 32 -7.620 -0.467 5.662 1.00 75.04 C ATOM 499 C ILE A 32 -8.229 0.885 5.305 1.00 61.03 C ATOM 500 O ILE A 32 -7.522 1.888 5.204 1.00 72.11 O ATOM 501 CB ILE A 32 -7.292 -1.228 4.364 1.00 61.23 C ATOM 502 CG1 ILE A 32 -7.008 -2.701 4.668 1.00 14.41 C ATOM 503 CG2 ILE A 32 -6.104 -0.589 3.661 1.00 42.41 C ATOM 504 CD1 ILE A 32 -6.545 -3.489 3.463 1.00 55.43 C ATOM 0 H ILE A 32 -8.931 -2.052 6.069 1.00 4.24 H new ATOM 0 HA ILE A 32 -6.700 -0.311 6.225 1.00 75.04 H new ATOM 0 HB ILE A 32 -8.155 -1.173 3.700 1.00 61.23 H new ATOM 0 HG12 ILE A 32 -6.247 -2.763 5.446 1.00 14.41 H new ATOM 0 HG13 ILE A 32 -7.911 -3.162 5.068 1.00 14.41 H new ATOM 0 HG21 ILE A 32 -5.885 -1.138 2.745 1.00 42.41 H new ATOM 0 HG22 ILE A 32 -6.340 0.446 3.415 1.00 42.41 H new ATOM 0 HG23 ILE A 32 -5.235 -0.617 4.318 1.00 42.41 H new ATOM 0 HD11 ILE A 32 -6.363 -4.524 3.753 1.00 55.43 H new ATOM 0 HD12 ILE A 32 -7.314 -3.458 2.691 1.00 55.43 H new ATOM 0 HD13 ILE A 32 -5.624 -3.053 3.075 1.00 55.43 H new ATOM 516 N ARG A 33 -9.544 0.904 5.116 1.00 13.53 N ATOM 517 CA ARG A 33 -10.249 2.134 4.771 1.00 25.53 C ATOM 518 C ARG A 33 -10.346 3.061 5.979 1.00 53.32 C ATOM 519 O ARG A 33 -10.546 4.267 5.833 1.00 54.31 O ATOM 520 CB ARG A 33 -11.649 1.814 4.246 1.00 72.42 C ATOM 521 CG ARG A 33 -12.475 3.048 3.923 1.00 12.00 C ATOM 522 CD ARG A 33 -13.639 2.715 3.003 1.00 71.51 C ATOM 523 NE ARG A 33 -14.826 2.304 3.748 1.00 22.44 N ATOM 524 CZ ARG A 33 -16.013 2.104 3.188 1.00 73.24 C ATOM 525 NH1 ARG A 33 -16.171 2.276 1.882 1.00 32.25 N ATOM 526 NH2 ARG A 33 -17.046 1.731 3.933 1.00 61.43 N ATOM 0 H ARG A 33 -10.143 0.082 5.196 1.00 13.53 H new ATOM 0 HA ARG A 33 -9.683 2.641 3.990 1.00 25.53 H new ATOM 0 HB2 ARG A 33 -11.560 1.202 3.349 1.00 72.42 H new ATOM 0 HB3 ARG A 33 -12.179 1.217 4.988 1.00 72.42 H new ATOM 0 HG2 ARG A 33 -12.854 3.485 4.847 1.00 12.00 H new ATOM 0 HG3 ARG A 33 -11.841 3.799 3.452 1.00 12.00 H new ATOM 0 HD2 ARG A 33 -13.878 3.585 2.392 1.00 71.51 H new ATOM 0 HD3 ARG A 33 -13.345 1.917 2.321 1.00 71.51 H new ATOM 0 HE ARG A 33 -14.738 2.163 4.754 1.00 22.44 H new ATOM 0 HH11 ARG A 33 -15.380 2.562 1.306 1.00 32.25 H new ATOM 0 HH12 ARG A 33 -17.084 2.122 1.454 1.00 32.25 H new ATOM 0 HH21 ARG A 33 -16.929 1.598 4.937 1.00 61.43 H new ATOM 0 HH22 ARG A 33 -17.957 1.578 3.501 1.00 61.43 H new ATOM 540 N ASP A 34 -10.204 2.490 7.170 1.00 55.52 N ATOM 541 CA ASP A 34 -10.276 3.266 8.403 1.00 72.12 C ATOM 542 C ASP A 34 -8.879 3.570 8.936 1.00 75.14 C ATOM 543 O ASP A 34 -8.724 4.083 10.045 1.00 75.32 O ATOM 544 CB ASP A 34 -11.085 2.511 9.459 1.00 53.12 C ATOM 545 CG ASP A 34 -12.562 2.448 9.121 1.00 62.34 C ATOM 546 OD1 ASP A 34 -13.038 3.329 8.374 1.00 33.42 O ATOM 547 OD2 ASP A 34 -13.241 1.517 9.602 1.00 63.33 O ATOM 0 H ASP A 34 -10.038 1.493 7.308 1.00 55.52 H new ATOM 0 HA ASP A 34 -10.774 4.210 8.181 1.00 72.12 H new ATOM 0 HB2 ASP A 34 -10.694 1.498 9.557 1.00 53.12 H new ATOM 0 HB3 ASP A 34 -10.957 2.997 10.426 1.00 53.12 H new ATOM 552 N LEU A 35 -7.866 3.250 8.139 1.00 24.54 N ATOM 553 CA LEU A 35 -6.481 3.487 8.531 1.00 45.31 C ATOM 554 C LEU A 35 -6.198 4.981 8.652 1.00 44.21 C ATOM 555 O LEU A 35 -6.917 5.820 8.110 1.00 55.21 O ATOM 556 CB LEU A 35 -5.527 2.857 7.514 1.00 31.34 C ATOM 557 CG LEU A 35 -5.220 1.372 7.713 1.00 32.02 C ATOM 558 CD1 LEU A 35 -4.401 0.836 6.549 1.00 35.32 C ATOM 559 CD2 LEU A 35 -4.489 1.150 9.029 1.00 1.11 C ATOM 0 H LEU A 35 -7.977 2.826 7.218 1.00 24.54 H new ATOM 0 HA LEU A 35 -6.321 3.025 9.505 1.00 45.31 H new ATOM 0 HB2 LEU A 35 -5.950 2.990 6.518 1.00 31.34 H new ATOM 0 HB3 LEU A 35 -4.587 3.408 7.537 1.00 31.34 H new ATOM 0 HG LEU A 35 -6.163 0.827 7.748 1.00 32.02 H new ATOM 0 HD11 LEU A 35 -4.192 -0.222 6.708 1.00 35.32 H new ATOM 0 HD12 LEU A 35 -4.961 0.960 5.622 1.00 35.32 H new ATOM 0 HD13 LEU A 35 -3.462 1.385 6.482 1.00 35.32 H new ATOM 0 HD21 LEU A 35 -4.279 0.088 9.154 1.00 1.11 H new ATOM 0 HD22 LEU A 35 -3.552 1.707 9.023 1.00 1.11 H new ATOM 0 HD23 LEU A 35 -5.112 1.496 9.854 1.00 1.11 H new ATOM 571 N PRO A 36 -5.123 5.323 9.378 1.00 40.41 N ATOM 572 CA PRO A 36 -4.718 6.717 9.585 1.00 54.13 C ATOM 573 C PRO A 36 -4.184 7.361 8.310 1.00 62.31 C ATOM 574 O PRO A 36 -3.175 6.921 7.758 1.00 42.14 O ATOM 575 CB PRO A 36 -3.611 6.613 10.636 1.00 23.40 C ATOM 576 CG PRO A 36 -3.061 5.238 10.472 1.00 71.31 C ATOM 577 CD PRO A 36 -4.220 4.376 10.052 1.00 22.15 C ATOM 0 HA PRO A 36 -5.556 7.344 9.890 1.00 54.13 H new ATOM 0 HB2 PRO A 36 -2.842 7.369 10.477 1.00 23.40 H new ATOM 0 HB3 PRO A 36 -4.004 6.765 11.641 1.00 23.40 H new ATOM 0 HG2 PRO A 36 -2.270 5.221 9.722 1.00 71.31 H new ATOM 0 HG3 PRO A 36 -2.625 4.878 11.404 1.00 71.31 H new ATOM 0 HD2 PRO A 36 -3.904 3.576 9.382 1.00 22.15 H new ATOM 0 HD3 PRO A 36 -4.700 3.903 10.909 1.00 22.15 H new ATOM 585 N ILE A 37 -4.866 8.404 7.848 1.00 23.53 N ATOM 586 CA ILE A 37 -4.457 9.108 6.639 1.00 35.03 C ATOM 587 C ILE A 37 -3.152 9.865 6.858 1.00 23.52 C ATOM 588 O ILE A 37 -2.338 9.996 5.944 1.00 24.53 O ATOM 589 CB ILE A 37 -5.540 10.099 6.173 1.00 40.24 C ATOM 590 CG1 ILE A 37 -5.994 10.979 7.339 1.00 5.22 C ATOM 591 CG2 ILE A 37 -6.722 9.350 5.576 1.00 12.21 C ATOM 592 CD1 ILE A 37 -6.909 12.109 6.923 1.00 35.13 C ATOM 0 H ILE A 37 -5.704 8.780 8.292 1.00 23.53 H new ATOM 0 HA ILE A 37 -4.310 8.352 5.868 1.00 35.03 H new ATOM 0 HB ILE A 37 -5.115 10.742 5.402 1.00 40.24 H new ATOM 0 HG12 ILE A 37 -6.507 10.358 8.073 1.00 5.22 H new ATOM 0 HG13 ILE A 37 -5.116 11.396 7.832 1.00 5.22 H new ATOM 0 HG21 ILE A 37 -7.479 10.064 5.251 1.00 12.21 H new ATOM 0 HG22 ILE A 37 -6.387 8.763 4.721 1.00 12.21 H new ATOM 0 HG23 ILE A 37 -7.149 8.685 6.327 1.00 12.21 H new ATOM 0 HD11 ILE A 37 -7.191 12.691 7.801 1.00 35.13 H new ATOM 0 HD12 ILE A 37 -6.392 12.753 6.211 1.00 35.13 H new ATOM 0 HD13 ILE A 37 -7.805 11.699 6.457 1.00 35.13 H new ATOM 604 N SER A 38 -2.958 10.359 8.077 1.00 41.35 N ATOM 605 CA SER A 38 -1.751 11.105 8.416 1.00 75.22 C ATOM 606 C SER A 38 -0.526 10.197 8.388 1.00 21.42 C ATOM 607 O SER A 38 0.603 10.662 8.229 1.00 42.43 O ATOM 608 CB SER A 38 -1.894 11.746 9.798 1.00 72.24 C ATOM 609 OG SER A 38 -2.801 12.834 9.764 1.00 51.13 O ATOM 0 H SER A 38 -3.620 10.256 8.846 1.00 41.35 H new ATOM 0 HA SER A 38 -1.617 11.890 7.672 1.00 75.22 H new ATOM 0 HB2 SER A 38 -2.242 11.001 10.514 1.00 72.24 H new ATOM 0 HB3 SER A 38 -0.920 12.091 10.145 1.00 72.24 H new ATOM 0 HG SER A 38 -2.876 13.225 10.659 1.00 51.13 H new ATOM 615 N LEU A 39 -0.756 8.898 8.545 1.00 75.33 N ATOM 616 CA LEU A 39 0.328 7.922 8.538 1.00 71.11 C ATOM 617 C LEU A 39 0.898 7.751 7.133 1.00 32.14 C ATOM 618 O LEU A 39 2.075 7.434 6.964 1.00 23.42 O ATOM 619 CB LEU A 39 -0.168 6.575 9.067 1.00 53.12 C ATOM 620 CG LEU A 39 0.815 5.792 9.937 1.00 64.01 C ATOM 621 CD1 LEU A 39 0.080 5.067 11.054 1.00 44.32 C ATOM 622 CD2 LEU A 39 1.608 4.807 9.091 1.00 65.32 C ATOM 0 H LEU A 39 -1.684 8.496 8.679 1.00 75.33 H new ATOM 0 HA LEU A 39 1.120 8.291 9.189 1.00 71.11 H new ATOM 0 HB2 LEU A 39 -1.076 6.746 9.645 1.00 53.12 H new ATOM 0 HB3 LEU A 39 -0.444 5.953 8.216 1.00 53.12 H new ATOM 0 HG LEU A 39 1.513 6.498 10.388 1.00 64.01 H new ATOM 0 HD11 LEU A 39 0.796 4.515 11.663 1.00 44.32 H new ATOM 0 HD12 LEU A 39 -0.442 5.793 11.677 1.00 44.32 H new ATOM 0 HD13 LEU A 39 -0.642 4.372 10.624 1.00 44.32 H new ATOM 0 HD21 LEU A 39 2.303 4.258 9.727 1.00 65.32 H new ATOM 0 HD22 LEU A 39 0.924 4.106 8.611 1.00 65.32 H new ATOM 0 HD23 LEU A 39 2.166 5.350 8.328 1.00 65.32 H new ATOM 634 N PHE A 40 0.055 7.965 6.128 1.00 2.24 N ATOM 635 CA PHE A 40 0.475 7.836 4.738 1.00 41.11 C ATOM 636 C PHE A 40 0.195 9.121 3.964 1.00 74.45 C ATOM 637 O PHE A 40 -0.959 9.518 3.796 1.00 64.34 O ATOM 638 CB PHE A 40 -0.243 6.660 4.073 1.00 22.43 C ATOM 639 CG PHE A 40 -0.379 5.459 4.965 1.00 24.15 C ATOM 640 CD1 PHE A 40 -1.455 5.340 5.830 1.00 23.02 C ATOM 641 CD2 PHE A 40 0.570 4.449 4.939 1.00 34.11 C ATOM 642 CE1 PHE A 40 -1.581 4.237 6.653 1.00 74.54 C ATOM 643 CE2 PHE A 40 0.448 3.343 5.759 1.00 31.20 C ATOM 644 CZ PHE A 40 -0.630 3.236 6.616 1.00 3.22 C ATOM 0 H PHE A 40 -0.923 8.228 6.251 1.00 2.24 H new ATOM 0 HA PHE A 40 1.549 7.651 4.725 1.00 41.11 H new ATOM 0 HB2 PHE A 40 -1.235 6.982 3.757 1.00 22.43 H new ATOM 0 HB3 PHE A 40 0.301 6.374 3.173 1.00 22.43 H new ATOM 0 HD1 PHE A 40 -2.204 6.118 5.861 1.00 23.02 H new ATOM 0 HD2 PHE A 40 1.414 4.527 4.270 1.00 34.11 H new ATOM 0 HE1 PHE A 40 -2.423 4.158 7.325 1.00 74.54 H new ATOM 0 HE2 PHE A 40 1.195 2.563 5.730 1.00 31.20 H new ATOM 0 HZ PHE A 40 -0.729 2.372 7.256 1.00 3.22 H new ATOM 654 N ASP A 41 1.257 9.766 3.495 1.00 62.41 N ATOM 655 CA ASP A 41 1.127 11.005 2.738 1.00 52.12 C ATOM 656 C ASP A 41 0.142 10.837 1.585 1.00 63.43 C ATOM 657 O ASP A 41 -0.498 11.797 1.157 1.00 74.02 O ATOM 658 CB ASP A 41 2.490 11.446 2.201 1.00 74.40 C ATOM 659 CG ASP A 41 2.901 12.810 2.717 1.00 44.42 C ATOM 660 OD1 ASP A 41 2.363 13.820 2.217 1.00 1.21 O ATOM 661 OD2 ASP A 41 3.763 12.869 3.620 1.00 74.14 O ATOM 0 H ASP A 41 2.218 9.451 3.626 1.00 62.41 H new ATOM 0 HA ASP A 41 0.744 11.773 3.410 1.00 52.12 H new ATOM 0 HB2 ASP A 41 3.244 10.711 2.484 1.00 74.40 H new ATOM 0 HB3 ASP A 41 2.459 11.467 1.112 1.00 74.40 H new ATOM 666 N TYR A 42 0.028 9.611 1.086 1.00 61.13 N ATOM 667 CA TYR A 42 -0.876 9.317 -0.020 1.00 45.13 C ATOM 668 C TYR A 42 -1.564 7.971 0.181 1.00 23.54 C ATOM 669 O TYR A 42 -0.906 6.945 0.359 1.00 75.43 O ATOM 670 CB TYR A 42 -0.111 9.318 -1.345 1.00 40.42 C ATOM 671 CG TYR A 42 -0.971 8.977 -2.541 1.00 12.30 C ATOM 672 CD1 TYR A 42 -2.310 9.348 -2.587 1.00 4.02 C ATOM 673 CD2 TYR A 42 -0.446 8.284 -3.624 1.00 72.32 C ATOM 674 CE1 TYR A 42 -3.100 9.038 -3.677 1.00 3.01 C ATOM 675 CE2 TYR A 42 -1.228 7.971 -4.719 1.00 73.20 C ATOM 676 CZ TYR A 42 -2.554 8.350 -4.741 1.00 34.14 C ATOM 677 OH TYR A 42 -3.337 8.039 -5.829 1.00 32.23 O ATOM 0 H TYR A 42 0.550 8.805 1.430 1.00 61.13 H new ATOM 0 HA TYR A 42 -1.640 10.094 -0.048 1.00 45.13 H new ATOM 0 HB2 TYR A 42 0.335 10.301 -1.497 1.00 40.42 H new ATOM 0 HB3 TYR A 42 0.709 8.603 -1.282 1.00 40.42 H new ATOM 0 HD1 TYR A 42 -2.740 9.888 -1.756 1.00 4.02 H new ATOM 0 HD2 TYR A 42 0.592 7.985 -3.610 1.00 72.32 H new ATOM 0 HE1 TYR A 42 -4.139 9.332 -3.696 1.00 3.01 H new ATOM 0 HE2 TYR A 42 -0.803 7.432 -5.553 1.00 73.20 H new ATOM 0 HH TYR A 42 -4.032 8.721 -5.937 1.00 32.23 H new ATOM 687 N PHE A 43 -2.892 7.982 0.152 1.00 12.33 N ATOM 688 CA PHE A 43 -3.672 6.763 0.332 1.00 64.10 C ATOM 689 C PHE A 43 -4.767 6.657 -0.725 1.00 62.32 C ATOM 690 O PHE A 43 -5.687 7.474 -0.765 1.00 41.10 O ATOM 691 CB PHE A 43 -4.292 6.730 1.730 1.00 0.43 C ATOM 692 CG PHE A 43 -4.341 5.355 2.332 1.00 12.24 C ATOM 693 CD1 PHE A 43 -4.327 4.230 1.524 1.00 32.23 C ATOM 694 CD2 PHE A 43 -4.402 5.188 3.707 1.00 50.15 C ATOM 695 CE1 PHE A 43 -4.372 2.963 2.075 1.00 31.12 C ATOM 696 CE2 PHE A 43 -4.447 3.924 4.263 1.00 24.20 C ATOM 697 CZ PHE A 43 -4.433 2.810 3.446 1.00 21.14 C ATOM 0 H PHE A 43 -3.451 8.822 0.005 1.00 12.33 H new ATOM 0 HA PHE A 43 -3.000 5.912 0.220 1.00 64.10 H new ATOM 0 HB2 PHE A 43 -3.721 7.386 2.387 1.00 0.43 H new ATOM 0 HB3 PHE A 43 -5.304 7.132 1.680 1.00 0.43 H new ATOM 0 HD1 PHE A 43 -4.280 4.344 0.451 1.00 32.23 H new ATOM 0 HD2 PHE A 43 -4.414 6.055 4.350 1.00 50.15 H new ATOM 0 HE1 PHE A 43 -4.359 2.094 1.434 1.00 31.12 H new ATOM 0 HE2 PHE A 43 -4.493 3.807 5.336 1.00 24.20 H new ATOM 0 HZ PHE A 43 -4.470 1.821 3.879 1.00 21.14 H new ATOM 707 N ILE A 44 -4.660 5.645 -1.580 1.00 22.34 N ATOM 708 CA ILE A 44 -5.640 5.431 -2.636 1.00 55.05 C ATOM 709 C ILE A 44 -5.999 3.954 -2.764 1.00 2.35 C ATOM 710 O ILE A 44 -5.147 3.122 -3.074 1.00 64.04 O ATOM 711 CB ILE A 44 -5.124 5.941 -3.995 1.00 14.21 C ATOM 712 CG1 ILE A 44 -6.078 5.525 -5.117 1.00 31.35 C ATOM 713 CG2 ILE A 44 -3.723 5.413 -4.261 1.00 45.30 C ATOM 714 CD1 ILE A 44 -6.390 6.640 -6.090 1.00 12.15 C ATOM 0 H ILE A 44 -3.904 4.961 -1.561 1.00 22.34 H new ATOM 0 HA ILE A 44 -6.530 5.996 -2.358 1.00 55.05 H new ATOM 0 HB ILE A 44 -5.082 7.030 -3.965 1.00 14.21 H new ATOM 0 HG12 ILE A 44 -5.641 4.689 -5.663 1.00 31.35 H new ATOM 0 HG13 ILE A 44 -7.009 5.167 -4.677 1.00 31.35 H new ATOM 0 HG21 ILE A 44 -3.372 5.782 -5.225 1.00 45.30 H new ATOM 0 HG22 ILE A 44 -3.050 5.755 -3.475 1.00 45.30 H new ATOM 0 HG23 ILE A 44 -3.741 4.323 -4.274 1.00 45.30 H new ATOM 0 HD11 ILE A 44 -7.071 6.273 -6.858 1.00 12.15 H new ATOM 0 HD12 ILE A 44 -6.856 7.468 -5.557 1.00 12.15 H new ATOM 0 HD13 ILE A 44 -5.467 6.983 -6.558 1.00 12.15 H new ATOM 726 N VAL A 45 -7.267 3.636 -2.522 1.00 63.35 N ATOM 727 CA VAL A 45 -7.740 2.259 -2.613 1.00 5.43 C ATOM 728 C VAL A 45 -8.871 2.132 -3.627 1.00 3.42 C ATOM 729 O VAL A 45 -9.717 3.017 -3.742 1.00 55.42 O ATOM 730 CB VAL A 45 -8.229 1.744 -1.247 1.00 33.45 C ATOM 731 CG1 VAL A 45 -8.343 0.227 -1.258 1.00 34.20 C ATOM 732 CG2 VAL A 45 -7.298 2.208 -0.137 1.00 41.01 C ATOM 0 H VAL A 45 -7.985 4.312 -2.262 1.00 63.35 H new ATOM 0 HA VAL A 45 -6.894 1.654 -2.940 1.00 5.43 H new ATOM 0 HB VAL A 45 -9.219 2.158 -1.056 1.00 33.45 H new ATOM 0 HG11 VAL A 45 -8.690 -0.119 -0.284 1.00 34.20 H new ATOM 0 HG12 VAL A 45 -9.053 -0.079 -2.026 1.00 34.20 H new ATOM 0 HG13 VAL A 45 -7.367 -0.210 -1.472 1.00 34.20 H new ATOM 0 HG21 VAL A 45 -7.660 1.834 0.821 1.00 41.01 H new ATOM 0 HG22 VAL A 45 -6.294 1.825 -0.320 1.00 41.01 H new ATOM 0 HG23 VAL A 45 -7.272 3.297 -0.115 1.00 41.01 H new ATOM 742 N GLY A 46 -8.879 1.024 -4.361 1.00 24.31 N ATOM 743 CA GLY A 46 -9.911 0.800 -5.356 1.00 43.43 C ATOM 744 C GLY A 46 -10.452 -0.615 -5.323 1.00 20.13 C ATOM 745 O GLY A 46 -9.731 -1.554 -4.985 1.00 52.42 O ATOM 0 H GLY A 46 -8.189 0.277 -4.284 1.00 24.31 H new ATOM 0 HA2 GLY A 46 -10.728 1.502 -5.191 1.00 43.43 H new ATOM 0 HA3 GLY A 46 -9.507 1.008 -6.347 1.00 43.43 H new ATOM 749 N GLU A 47 -11.725 -0.769 -5.672 1.00 15.31 N ATOM 750 CA GLU A 47 -12.363 -2.080 -5.677 1.00 65.34 C ATOM 751 C GLU A 47 -12.530 -2.598 -7.103 1.00 50.22 C ATOM 752 O GLU A 47 -12.971 -1.869 -7.991 1.00 12.43 O ATOM 753 CB GLU A 47 -13.725 -2.013 -4.984 1.00 61.12 C ATOM 754 CG GLU A 47 -14.280 -3.374 -4.600 1.00 30.23 C ATOM 755 CD GLU A 47 -13.324 -4.170 -3.732 1.00 72.24 C ATOM 756 OE1 GLU A 47 -12.717 -3.574 -2.818 1.00 50.02 O ATOM 757 OE2 GLU A 47 -13.183 -5.388 -3.968 1.00 31.44 O ATOM 0 H GLU A 47 -12.335 -0.002 -5.955 1.00 15.31 H new ATOM 0 HA GLU A 47 -11.720 -2.770 -5.131 1.00 65.34 H new ATOM 0 HB2 GLU A 47 -13.637 -1.400 -4.087 1.00 61.12 H new ATOM 0 HB3 GLU A 47 -14.435 -1.514 -5.644 1.00 61.12 H new ATOM 0 HG2 GLU A 47 -15.222 -3.241 -4.069 1.00 30.23 H new ATOM 0 HG3 GLU A 47 -14.501 -3.941 -5.505 1.00 30.23 H new ATOM 764 N GLU A 48 -12.174 -3.861 -7.314 1.00 23.23 N ATOM 765 CA GLU A 48 -12.283 -4.476 -8.632 1.00 12.44 C ATOM 766 C GLU A 48 -13.155 -5.727 -8.578 1.00 0.13 C ATOM 767 O GLU A 48 -12.741 -6.763 -8.059 1.00 15.11 O ATOM 768 CB GLU A 48 -10.896 -4.830 -9.170 1.00 63.23 C ATOM 769 CG GLU A 48 -10.831 -4.899 -10.687 1.00 2.42 C ATOM 770 CD GLU A 48 -11.507 -6.136 -11.244 1.00 70.04 C ATOM 771 OE1 GLU A 48 -11.225 -7.244 -10.743 1.00 23.11 O ATOM 772 OE2 GLU A 48 -12.319 -5.996 -12.183 1.00 13.53 O ATOM 0 H GLU A 48 -11.808 -4.478 -6.589 1.00 23.23 H new ATOM 0 HA GLU A 48 -12.752 -3.756 -9.303 1.00 12.44 H new ATOM 0 HB2 GLU A 48 -10.179 -4.089 -8.817 1.00 63.23 H new ATOM 0 HB3 GLU A 48 -10.590 -5.791 -8.757 1.00 63.23 H new ATOM 0 HG2 GLU A 48 -11.303 -4.011 -11.108 1.00 2.42 H new ATOM 0 HG3 GLU A 48 -9.788 -4.886 -11.003 1.00 2.42 H new ATOM 779 N GLY A 49 -14.365 -5.622 -9.118 1.00 15.52 N ATOM 780 CA GLY A 49 -15.277 -6.751 -9.121 1.00 13.54 C ATOM 781 C GLY A 49 -16.655 -6.382 -9.635 1.00 3.01 C ATOM 782 O GLY A 49 -17.636 -6.440 -8.896 1.00 14.11 O ATOM 0 H GLY A 49 -14.730 -4.775 -9.554 1.00 15.52 H new ATOM 0 HA2 GLY A 49 -14.863 -7.547 -9.740 1.00 13.54 H new ATOM 0 HA3 GLY A 49 -15.364 -7.147 -8.109 1.00 13.54 H new ATOM 786 N ASN A 50 -16.727 -6.000 -10.906 1.00 35.11 N ATOM 787 CA ASN A 50 -17.995 -5.618 -11.518 1.00 20.11 C ATOM 788 C ASN A 50 -18.404 -6.621 -12.593 1.00 11.33 C ATOM 789 O ASN A 50 -18.984 -6.249 -13.612 1.00 72.54 O ATOM 790 CB ASN A 50 -17.891 -4.217 -12.124 1.00 63.34 C ATOM 791 CG ASN A 50 -19.082 -3.346 -11.776 1.00 30.22 C ATOM 792 OD1 ASN A 50 -19.729 -2.779 -12.656 1.00 42.42 O ATOM 793 ND2 ASN A 50 -19.377 -3.236 -10.486 1.00 32.52 N ATOM 0 H ASN A 50 -15.923 -5.947 -11.532 1.00 35.11 H new ATOM 0 HA ASN A 50 -18.759 -5.614 -10.741 1.00 20.11 H new ATOM 0 HB2 ASN A 50 -16.978 -3.738 -11.770 1.00 63.34 H new ATOM 0 HB3 ASN A 50 -17.808 -4.298 -13.208 1.00 63.34 H new ATOM 0 HD21 ASN A 50 -20.168 -2.663 -10.191 1.00 32.52 H new ATOM 0 HD22 ASN A 50 -18.813 -3.724 -9.790 1.00 32.52 H new ATOM 800 N GLU A 51 -18.098 -7.892 -12.356 1.00 23.45 N ATOM 801 CA GLU A 51 -18.434 -8.948 -13.304 1.00 4.02 C ATOM 802 C GLU A 51 -19.104 -10.122 -12.596 1.00 10.00 C ATOM 803 O GLU A 51 -18.484 -10.803 -11.780 1.00 33.21 O ATOM 804 CB GLU A 51 -17.177 -9.428 -14.033 1.00 20.02 C ATOM 805 CG GLU A 51 -17.462 -10.066 -15.382 1.00 34.31 C ATOM 806 CD GLU A 51 -16.198 -10.478 -16.112 1.00 14.33 C ATOM 807 OE1 GLU A 51 -15.276 -9.643 -16.219 1.00 11.12 O ATOM 808 OE2 GLU A 51 -16.132 -11.635 -16.576 1.00 31.44 O ATOM 0 H GLU A 51 -17.618 -8.216 -11.516 1.00 23.45 H new ATOM 0 HA GLU A 51 -19.134 -8.538 -14.032 1.00 4.02 H new ATOM 0 HB2 GLU A 51 -16.505 -8.582 -14.175 1.00 20.02 H new ATOM 0 HB3 GLU A 51 -16.655 -10.148 -13.403 1.00 20.02 H new ATOM 0 HG2 GLU A 51 -18.096 -10.941 -15.239 1.00 34.31 H new ATOM 0 HG3 GLU A 51 -18.022 -9.364 -16.000 1.00 34.31 H new ATOM 815 N GLU A 52 -20.374 -10.351 -12.915 1.00 51.21 N ATOM 816 CA GLU A 52 -21.129 -11.441 -12.309 1.00 21.13 C ATOM 817 C GLU A 52 -20.392 -12.768 -12.468 1.00 42.33 C ATOM 818 O GLU A 52 -19.711 -12.996 -13.467 1.00 50.12 O ATOM 819 CB GLU A 52 -22.520 -11.539 -12.938 1.00 33.43 C ATOM 820 CG GLU A 52 -23.333 -12.721 -12.435 1.00 53.43 C ATOM 821 CD GLU A 52 -24.817 -12.416 -12.355 1.00 4.12 C ATOM 822 OE1 GLU A 52 -25.236 -11.766 -11.374 1.00 23.21 O ATOM 823 OE2 GLU A 52 -25.558 -12.827 -13.272 1.00 1.14 O ATOM 0 H GLU A 52 -20.901 -9.796 -13.589 1.00 51.21 H new ATOM 0 HA GLU A 52 -21.234 -11.229 -11.245 1.00 21.13 H new ATOM 0 HB2 GLU A 52 -23.068 -10.619 -12.734 1.00 33.43 H new ATOM 0 HB3 GLU A 52 -22.416 -11.615 -14.020 1.00 33.43 H new ATOM 0 HG2 GLU A 52 -23.176 -13.573 -13.096 1.00 53.43 H new ATOM 0 HG3 GLU A 52 -22.972 -13.012 -11.449 1.00 53.43 H new ATOM 830 N GLY A 53 -20.533 -13.640 -11.474 1.00 41.25 N ATOM 831 CA GLY A 53 -19.875 -14.932 -11.523 1.00 23.32 C ATOM 832 C GLY A 53 -18.513 -14.915 -10.858 1.00 3.41 C ATOM 833 O GLY A 53 -17.984 -15.961 -10.483 1.00 20.22 O ATOM 0 H GLY A 53 -21.091 -13.474 -10.636 1.00 41.25 H new ATOM 0 HA2 GLY A 53 -20.505 -15.676 -11.035 1.00 23.32 H new ATOM 0 HA3 GLY A 53 -19.764 -15.241 -12.563 1.00 23.32 H new ATOM 837 N ARG A 54 -17.942 -13.723 -10.713 1.00 32.01 N ATOM 838 CA ARG A 54 -16.632 -13.574 -10.091 1.00 42.14 C ATOM 839 C ARG A 54 -16.727 -12.744 -8.814 1.00 70.33 C ATOM 840 O ARG A 54 -17.538 -11.823 -8.718 1.00 13.30 O ATOM 841 CB ARG A 54 -15.653 -12.918 -11.067 1.00 0.42 C ATOM 842 CG ARG A 54 -14.243 -12.781 -10.515 1.00 53.22 C ATOM 843 CD ARG A 54 -13.553 -14.132 -10.410 1.00 44.52 C ATOM 844 NE ARG A 54 -12.259 -14.139 -11.087 1.00 42.15 N ATOM 845 CZ ARG A 54 -11.304 -15.028 -10.839 1.00 31.43 C ATOM 846 NH1 ARG A 54 -11.497 -15.978 -9.934 1.00 14.35 N ATOM 847 NH2 ARG A 54 -10.153 -14.970 -11.497 1.00 12.35 N ATOM 0 H ARG A 54 -18.366 -12.847 -11.018 1.00 32.01 H new ATOM 0 HA ARG A 54 -16.266 -14.567 -9.831 1.00 42.14 H new ATOM 0 HB2 ARG A 54 -15.619 -13.505 -11.985 1.00 0.42 H new ATOM 0 HB3 ARG A 54 -16.027 -11.930 -11.335 1.00 0.42 H new ATOM 0 HG2 ARG A 54 -13.661 -12.123 -11.160 1.00 53.22 H new ATOM 0 HG3 ARG A 54 -14.280 -12.312 -9.532 1.00 53.22 H new ATOM 0 HD2 ARG A 54 -13.414 -14.388 -9.360 1.00 44.52 H new ATOM 0 HD3 ARG A 54 -14.193 -14.901 -10.843 1.00 44.52 H new ATOM 0 HE ARG A 54 -12.079 -13.421 -11.789 1.00 42.15 H new ATOM 0 HH11 ARG A 54 -12.380 -16.027 -9.427 1.00 14.35 H new ATOM 0 HH12 ARG A 54 -10.762 -16.660 -9.745 1.00 14.35 H new ATOM 0 HH21 ARG A 54 -10.001 -14.242 -12.195 1.00 12.35 H new ATOM 0 HH22 ARG A 54 -9.421 -15.654 -11.305 1.00 12.35 H new ATOM 861 N THR A 55 -15.893 -13.078 -7.834 1.00 41.03 N ATOM 862 CA THR A 55 -15.884 -12.366 -6.563 1.00 2.13 C ATOM 863 C THR A 55 -15.071 -11.080 -6.658 1.00 64.24 C ATOM 864 O THR A 55 -14.227 -10.915 -7.540 1.00 53.41 O ATOM 865 CB THR A 55 -15.309 -13.241 -5.433 1.00 4.10 C ATOM 866 OG1 THR A 55 -14.584 -14.344 -5.988 1.00 71.23 O ATOM 867 CG2 THR A 55 -16.419 -13.759 -4.531 1.00 63.02 C ATOM 0 H THR A 55 -15.215 -13.837 -7.897 1.00 41.03 H new ATOM 0 HA THR A 55 -16.920 -12.121 -6.331 1.00 2.13 H new ATOM 0 HB THR A 55 -14.635 -12.627 -4.836 1.00 4.10 H new ATOM 0 HG1 THR A 55 -14.220 -14.894 -5.263 1.00 71.23 H new ATOM 0 HG21 THR A 55 -15.988 -14.374 -3.741 1.00 63.02 H new ATOM 0 HG22 THR A 55 -16.950 -12.917 -4.087 1.00 63.02 H new ATOM 0 HG23 THR A 55 -17.115 -14.358 -5.118 1.00 63.02 H new ATOM 875 N PRO A 56 -15.327 -10.147 -5.730 1.00 43.40 N ATOM 876 CA PRO A 56 -14.627 -8.859 -5.688 1.00 53.12 C ATOM 877 C PRO A 56 -13.166 -9.006 -5.278 1.00 31.10 C ATOM 878 O PRO A 56 -12.775 -10.013 -4.686 1.00 13.42 O ATOM 879 CB PRO A 56 -15.402 -8.068 -4.631 1.00 75.41 C ATOM 880 CG PRO A 56 -16.014 -9.106 -3.755 1.00 73.40 C ATOM 881 CD PRO A 56 -16.319 -10.276 -4.649 1.00 64.34 C ATOM 0 HA PRO A 56 -14.600 -8.378 -6.666 1.00 53.12 H new ATOM 0 HB2 PRO A 56 -14.742 -7.411 -4.065 1.00 75.41 H new ATOM 0 HB3 PRO A 56 -16.164 -7.437 -5.088 1.00 75.41 H new ATOM 0 HG2 PRO A 56 -15.331 -9.394 -2.955 1.00 73.40 H new ATOM 0 HG3 PRO A 56 -16.921 -8.731 -3.280 1.00 73.40 H new ATOM 0 HD2 PRO A 56 -16.216 -11.223 -4.120 1.00 64.34 H new ATOM 0 HD3 PRO A 56 -17.339 -10.234 -5.032 1.00 64.34 H new ATOM 889 N HIS A 57 -12.362 -7.996 -5.596 1.00 33.20 N ATOM 890 CA HIS A 57 -10.943 -8.013 -5.259 1.00 72.31 C ATOM 891 C HIS A 57 -10.478 -6.636 -4.796 1.00 52.11 C ATOM 892 O HIS A 57 -10.859 -5.615 -5.371 1.00 3.01 O ATOM 893 CB HIS A 57 -10.117 -8.465 -6.463 1.00 61.34 C ATOM 894 CG HIS A 57 -8.638 -8.397 -6.235 1.00 12.20 C ATOM 895 ND1 HIS A 57 -7.769 -9.328 -5.776 1.00 1.41 N flip ATOM 896 CD2 HIS A 57 -7.890 -7.266 -6.484 1.00 53.50 C flip ATOM 897 CE1 HIS A 57 -6.524 -8.748 -5.757 1.00 33.24 C flip ATOM 898 NE2 HIS A 57 -6.624 -7.504 -6.190 1.00 74.34 N flip ATOM 0 H HIS A 57 -12.669 -7.156 -6.086 1.00 33.20 H new ATOM 0 HA HIS A 57 -10.797 -8.720 -4.442 1.00 72.31 H new ATOM 0 HB2 HIS A 57 -10.390 -9.489 -6.717 1.00 61.34 H new ATOM 0 HB3 HIS A 57 -10.373 -7.845 -7.322 1.00 61.34 H new ATOM 0 HD1 HIS A 57 -7.996 -10.282 -5.496 1.00 1.41 H new ATOM 0 HD2 HIS A 57 -8.278 -6.331 -6.861 1.00 53.50 H new ATOM 0 HE1 HIS A 57 -5.611 -9.231 -5.440 1.00 33.24 H new ATOM 906 N LEU A 58 -9.654 -6.614 -3.754 1.00 74.32 N ATOM 907 CA LEU A 58 -9.138 -5.362 -3.213 1.00 44.12 C ATOM 908 C LEU A 58 -7.758 -5.050 -3.784 1.00 71.13 C ATOM 909 O LEU A 58 -6.874 -5.906 -3.798 1.00 73.43 O ATOM 910 CB LEU A 58 -9.066 -5.434 -1.687 1.00 1.01 C ATOM 911 CG LEU A 58 -9.621 -4.226 -0.931 1.00 73.31 C ATOM 912 CD1 LEU A 58 -9.309 -4.336 0.553 1.00 3.42 C ATOM 913 CD2 LEU A 58 -9.057 -2.934 -1.503 1.00 55.20 C ATOM 0 H LEU A 58 -9.329 -7.449 -3.267 1.00 74.32 H new ATOM 0 HA LEU A 58 -9.820 -4.562 -3.501 1.00 44.12 H new ATOM 0 HB2 LEU A 58 -9.606 -6.322 -1.359 1.00 1.01 H new ATOM 0 HB3 LEU A 58 -8.024 -5.570 -1.398 1.00 1.01 H new ATOM 0 HG LEU A 58 -10.704 -4.211 -1.053 1.00 73.31 H new ATOM 0 HD11 LEU A 58 -9.712 -3.468 1.075 1.00 3.42 H new ATOM 0 HD12 LEU A 58 -9.762 -5.243 0.954 1.00 3.42 H new ATOM 0 HD13 LEU A 58 -8.229 -4.377 0.696 1.00 3.42 H new ATOM 0 HD21 LEU A 58 -9.463 -2.085 -0.953 1.00 55.20 H new ATOM 0 HD22 LEU A 58 -7.971 -2.940 -1.412 1.00 55.20 H new ATOM 0 HD23 LEU A 58 -9.333 -2.851 -2.554 1.00 55.20 H new ATOM 925 N GLN A 59 -7.582 -3.819 -4.252 1.00 44.33 N ATOM 926 CA GLN A 59 -6.309 -3.394 -4.823 1.00 23.11 C ATOM 927 C GLN A 59 -6.110 -1.892 -4.653 1.00 12.51 C ATOM 928 O GLN A 59 -6.815 -1.089 -5.264 1.00 23.12 O ATOM 929 CB GLN A 59 -6.241 -3.765 -6.305 1.00 54.15 C ATOM 930 CG GLN A 59 -5.129 -3.055 -7.060 1.00 60.02 C ATOM 931 CD GLN A 59 -3.755 -3.356 -6.494 1.00 72.32 C ATOM 932 OE1 GLN A 59 -3.467 -3.049 -5.337 1.00 44.54 O ATOM 933 NE2 GLN A 59 -2.899 -3.962 -7.309 1.00 2.43 N ATOM 0 H GLN A 59 -8.304 -3.099 -4.247 1.00 44.33 H new ATOM 0 HA GLN A 59 -5.511 -3.910 -4.290 1.00 23.11 H new ATOM 0 HB2 GLN A 59 -6.100 -4.842 -6.395 1.00 54.15 H new ATOM 0 HB3 GLN A 59 -7.196 -3.528 -6.774 1.00 54.15 H new ATOM 0 HG2 GLN A 59 -5.159 -3.353 -8.108 1.00 60.02 H new ATOM 0 HG3 GLN A 59 -5.303 -1.979 -7.029 1.00 60.02 H new ATOM 0 HE21 GLN A 59 -3.181 -4.198 -8.261 1.00 2.43 H new ATOM 0 HE22 GLN A 59 -1.960 -4.191 -6.983 1.00 2.43 H new ATOM 942 N GLY A 60 -5.145 -1.518 -3.818 1.00 14.43 N ATOM 943 CA GLY A 60 -4.872 -0.112 -3.582 1.00 21.11 C ATOM 944 C GLY A 60 -3.411 0.151 -3.273 1.00 73.50 C ATOM 945 O GLY A 60 -2.644 -0.781 -3.028 1.00 41.42 O ATOM 0 H GLY A 60 -4.548 -2.163 -3.301 1.00 14.43 H new ATOM 0 HA2 GLY A 60 -5.164 0.464 -4.460 1.00 21.11 H new ATOM 0 HA3 GLY A 60 -5.485 0.240 -2.752 1.00 21.11 H new ATOM 949 N PHE A 61 -3.025 1.422 -3.286 1.00 22.12 N ATOM 950 CA PHE A 61 -1.645 1.804 -3.008 1.00 13.45 C ATOM 951 C PHE A 61 -1.583 2.836 -1.885 1.00 1.10 C ATOM 952 O PHE A 61 -2.416 3.739 -1.810 1.00 71.40 O ATOM 953 CB PHE A 61 -0.985 2.366 -4.269 1.00 31.44 C ATOM 954 CG PHE A 61 0.304 3.088 -3.999 1.00 50.04 C ATOM 955 CD1 PHE A 61 1.345 2.453 -3.340 1.00 55.52 C ATOM 956 CD2 PHE A 61 0.475 4.401 -4.406 1.00 44.41 C ATOM 957 CE1 PHE A 61 2.531 3.116 -3.091 1.00 3.33 C ATOM 958 CE2 PHE A 61 1.660 5.069 -4.160 1.00 2.33 C ATOM 959 CZ PHE A 61 2.690 4.425 -3.502 1.00 11.30 C ATOM 0 H PHE A 61 -3.648 2.205 -3.486 1.00 22.12 H new ATOM 0 HA PHE A 61 -1.104 0.913 -2.690 1.00 13.45 H new ATOM 0 HB2 PHE A 61 -0.796 1.549 -4.965 1.00 31.44 H new ATOM 0 HB3 PHE A 61 -1.679 3.049 -4.759 1.00 31.44 H new ATOM 0 HD1 PHE A 61 1.228 1.429 -3.018 1.00 55.52 H new ATOM 0 HD2 PHE A 61 -0.327 4.909 -4.922 1.00 44.41 H new ATOM 0 HE1 PHE A 61 3.334 2.611 -2.575 1.00 3.33 H new ATOM 0 HE2 PHE A 61 1.780 6.093 -4.482 1.00 2.33 H new ATOM 0 HZ PHE A 61 3.617 4.944 -3.309 1.00 11.30 H new ATOM 969 N ALA A 62 -0.589 2.694 -1.014 1.00 12.41 N ATOM 970 CA ALA A 62 -0.416 3.614 0.104 1.00 73.22 C ATOM 971 C ALA A 62 1.045 4.019 0.260 1.00 3.50 C ATOM 972 O ALA A 62 1.927 3.169 0.366 1.00 23.52 O ATOM 973 CB ALA A 62 -0.932 2.984 1.390 1.00 44.34 C ATOM 0 H ALA A 62 0.108 1.951 -1.061 1.00 12.41 H new ATOM 0 HA ALA A 62 -0.995 4.514 -0.104 1.00 73.22 H new ATOM 0 HB1 ALA A 62 -0.797 3.681 2.217 1.00 44.34 H new ATOM 0 HB2 ALA A 62 -1.991 2.751 1.281 1.00 44.34 H new ATOM 0 HB3 ALA A 62 -0.378 2.068 1.594 1.00 44.34 H new ATOM 979 N ASN A 63 1.294 5.325 0.272 1.00 3.03 N ATOM 980 CA ASN A 63 2.650 5.843 0.414 1.00 1.22 C ATOM 981 C ASN A 63 2.983 6.100 1.881 1.00 45.44 C ATOM 982 O ASN A 63 2.397 6.976 2.517 1.00 5.24 O ATOM 983 CB ASN A 63 2.812 7.134 -0.391 1.00 51.01 C ATOM 984 CG ASN A 63 4.239 7.647 -0.381 1.00 61.43 C ATOM 985 OD1 ASN A 63 4.856 7.778 0.676 1.00 11.20 O ATOM 986 ND2 ASN A 63 4.771 7.939 -1.563 1.00 13.15 N ATOM 0 H ASN A 63 0.575 6.043 0.185 1.00 3.03 H new ATOM 0 HA ASN A 63 3.341 5.093 0.029 1.00 1.22 H new ATOM 0 HB2 ASN A 63 2.499 6.959 -1.420 1.00 51.01 H new ATOM 0 HB3 ASN A 63 2.151 7.899 0.017 1.00 51.01 H new ATOM 0 HD21 ASN A 63 5.728 8.287 -1.620 1.00 13.15 H new ATOM 0 HD22 ASN A 63 4.222 7.815 -2.414 1.00 13.15 H new ATOM 993 N PHE A 64 3.929 5.331 2.410 1.00 10.44 N ATOM 994 CA PHE A 64 4.341 5.475 3.802 1.00 52.21 C ATOM 995 C PHE A 64 5.111 6.776 4.009 1.00 22.15 C ATOM 996 O PHE A 64 6.085 7.053 3.309 1.00 72.44 O ATOM 997 CB PHE A 64 5.204 4.285 4.226 1.00 35.12 C ATOM 998 CG PHE A 64 4.519 3.363 5.194 1.00 13.13 C ATOM 999 CD1 PHE A 64 4.322 3.743 6.512 1.00 10.12 C ATOM 1000 CD2 PHE A 64 4.071 2.117 4.786 1.00 23.15 C ATOM 1001 CE1 PHE A 64 3.693 2.896 7.405 1.00 11.42 C ATOM 1002 CE2 PHE A 64 3.441 1.266 5.675 1.00 60.11 C ATOM 1003 CZ PHE A 64 3.251 1.657 6.986 1.00 73.23 C ATOM 0 H PHE A 64 4.425 4.602 1.896 1.00 10.44 H new ATOM 0 HA PHE A 64 3.444 5.502 4.420 1.00 52.21 H new ATOM 0 HB2 PHE A 64 5.491 3.720 3.339 1.00 35.12 H new ATOM 0 HB3 PHE A 64 6.124 4.656 4.679 1.00 35.12 H new ATOM 0 HD1 PHE A 64 4.664 4.712 6.845 1.00 10.12 H new ATOM 0 HD2 PHE A 64 4.216 1.807 3.762 1.00 23.15 H new ATOM 0 HE1 PHE A 64 3.547 3.203 8.430 1.00 11.42 H new ATOM 0 HE2 PHE A 64 3.098 0.297 5.345 1.00 60.11 H new ATOM 0 HZ PHE A 64 2.758 0.995 7.682 1.00 73.23 H new ATOM 1013 N VAL A 65 4.667 7.572 4.977 1.00 25.44 N ATOM 1014 CA VAL A 65 5.314 8.843 5.279 1.00 64.03 C ATOM 1015 C VAL A 65 6.766 8.636 5.695 1.00 64.24 C ATOM 1016 O VAL A 65 7.587 9.549 5.603 1.00 52.23 O ATOM 1017 CB VAL A 65 4.574 9.598 6.398 1.00 12.15 C ATOM 1018 CG1 VAL A 65 5.324 10.867 6.774 1.00 61.12 C ATOM 1019 CG2 VAL A 65 3.149 9.918 5.973 1.00 72.42 C ATOM 0 H VAL A 65 3.862 7.359 5.565 1.00 25.44 H new ATOM 0 HA VAL A 65 5.282 9.438 4.367 1.00 64.03 H new ATOM 0 HB VAL A 65 4.531 8.956 7.278 1.00 12.15 H new ATOM 0 HG11 VAL A 65 4.785 11.387 7.566 1.00 61.12 H new ATOM 0 HG12 VAL A 65 6.324 10.609 7.124 1.00 61.12 H new ATOM 0 HG13 VAL A 65 5.401 11.516 5.902 1.00 61.12 H new ATOM 0 HG21 VAL A 65 2.641 10.452 6.776 1.00 72.42 H new ATOM 0 HG22 VAL A 65 3.167 10.541 5.078 1.00 72.42 H new ATOM 0 HG23 VAL A 65 2.616 8.991 5.759 1.00 72.42 H new ATOM 1029 N LYS A 66 7.078 7.428 6.153 1.00 43.24 N ATOM 1030 CA LYS A 66 8.432 7.098 6.582 1.00 42.23 C ATOM 1031 C LYS A 66 8.935 5.842 5.878 1.00 41.04 C ATOM 1032 O LYS A 66 8.255 5.286 5.015 1.00 14.40 O ATOM 1033 CB LYS A 66 8.474 6.897 8.098 1.00 12.12 C ATOM 1034 CG LYS A 66 8.599 8.193 8.880 1.00 22.04 C ATOM 1035 CD LYS A 66 7.240 8.818 9.146 1.00 72.20 C ATOM 1036 CE LYS A 66 6.527 8.131 10.301 1.00 52.32 C ATOM 1037 NZ LYS A 66 6.547 8.961 11.537 1.00 11.21 N ATOM 0 H LYS A 66 6.411 6.661 6.237 1.00 43.24 H new ATOM 0 HA LYS A 66 9.084 7.929 6.314 1.00 42.23 H new ATOM 0 HB2 LYS A 66 7.568 6.379 8.413 1.00 12.12 H new ATOM 0 HB3 LYS A 66 9.315 6.250 8.347 1.00 12.12 H new ATOM 0 HG2 LYS A 66 9.103 8.000 9.827 1.00 22.04 H new ATOM 0 HG3 LYS A 66 9.221 8.895 8.325 1.00 22.04 H new ATOM 0 HD2 LYS A 66 7.363 9.877 9.372 1.00 72.20 H new ATOM 0 HD3 LYS A 66 6.626 8.753 8.248 1.00 72.20 H new ATOM 0 HE2 LYS A 66 5.495 7.924 10.019 1.00 52.32 H new ATOM 0 HE3 LYS A 66 7.001 7.170 10.501 1.00 52.32 H new ATOM 0 HZ1 LYS A 66 6.051 8.458 12.301 1.00 11.21 H new ATOM 0 HZ2 LYS A 66 7.532 9.137 11.821 1.00 11.21 H new ATOM 0 HZ3 LYS A 66 6.072 9.868 11.354 1.00 11.21 H new ATOM 1051 N LYS A 67 10.130 5.398 6.252 1.00 62.02 N ATOM 1052 CA LYS A 67 10.724 4.206 5.659 1.00 60.42 C ATOM 1053 C LYS A 67 10.287 2.950 6.407 1.00 10.43 C ATOM 1054 O LYS A 67 10.569 2.796 7.595 1.00 1.22 O ATOM 1055 CB LYS A 67 12.251 4.312 5.668 1.00 14.34 C ATOM 1056 CG LYS A 67 12.779 5.535 4.938 1.00 65.50 C ATOM 1057 CD LYS A 67 13.365 5.166 3.585 1.00 22.33 C ATOM 1058 CE LYS A 67 13.456 6.376 2.668 1.00 31.14 C ATOM 1059 NZ LYS A 67 13.834 5.993 1.280 1.00 22.20 N ATOM 0 H LYS A 67 10.707 5.846 6.964 1.00 62.02 H new ATOM 0 HA LYS A 67 10.377 4.133 4.628 1.00 60.42 H new ATOM 0 HB2 LYS A 67 12.599 4.337 6.701 1.00 14.34 H new ATOM 0 HB3 LYS A 67 12.672 3.416 5.211 1.00 14.34 H new ATOM 0 HG2 LYS A 67 11.972 6.255 4.802 1.00 65.50 H new ATOM 0 HG3 LYS A 67 13.542 6.022 5.546 1.00 65.50 H new ATOM 0 HD2 LYS A 67 14.357 4.737 3.722 1.00 22.33 H new ATOM 0 HD3 LYS A 67 12.748 4.399 3.117 1.00 22.33 H new ATOM 0 HE2 LYS A 67 12.497 6.893 2.653 1.00 31.14 H new ATOM 0 HE3 LYS A 67 14.191 7.077 3.064 1.00 31.14 H new ATOM 0 HZ1 LYS A 67 13.885 6.845 0.686 1.00 22.20 H new ATOM 0 HZ2 LYS A 67 14.761 5.522 1.290 1.00 22.20 H new ATOM 0 HZ3 LYS A 67 13.120 5.344 0.892 1.00 22.20 H new ATOM 1073 N GLN A 68 9.599 2.057 5.704 1.00 53.00 N ATOM 1074 CA GLN A 68 9.124 0.815 6.303 1.00 1.31 C ATOM 1075 C GLN A 68 9.539 -0.388 5.463 1.00 41.12 C ATOM 1076 O GLN A 68 9.740 -0.275 4.253 1.00 0.10 O ATOM 1077 CB GLN A 68 7.602 0.846 6.454 1.00 3.32 C ATOM 1078 CG GLN A 68 7.091 2.061 7.212 1.00 32.43 C ATOM 1079 CD GLN A 68 7.930 2.382 8.433 1.00 11.42 C ATOM 1080 OE1 GLN A 68 8.303 3.534 8.658 1.00 1.12 O ATOM 1081 NE2 GLN A 68 8.231 1.364 9.230 1.00 65.21 N ATOM 0 H GLN A 68 9.358 2.170 4.719 1.00 53.00 H new ATOM 0 HA GLN A 68 9.578 0.720 7.289 1.00 1.31 H new ATOM 0 HB2 GLN A 68 7.146 0.828 5.464 1.00 3.32 H new ATOM 0 HB3 GLN A 68 7.278 -0.057 6.971 1.00 3.32 H new ATOM 0 HG2 GLN A 68 7.082 2.923 6.545 1.00 32.43 H new ATOM 0 HG3 GLN A 68 6.060 1.885 7.520 1.00 32.43 H new ATOM 0 HE21 GLN A 68 7.901 0.425 9.005 1.00 65.21 H new ATOM 0 HE22 GLN A 68 8.792 1.520 10.067 1.00 65.21 H new ATOM 1090 N THR A 69 9.667 -1.541 6.112 1.00 74.32 N ATOM 1091 CA THR A 69 10.059 -2.765 5.425 1.00 22.31 C ATOM 1092 C THR A 69 8.839 -3.588 5.027 1.00 41.22 C ATOM 1093 O THR A 69 7.714 -3.279 5.421 1.00 62.03 O ATOM 1094 CB THR A 69 10.983 -3.630 6.303 1.00 31.51 C ATOM 1095 OG1 THR A 69 10.219 -4.284 7.323 1.00 72.15 O ATOM 1096 CG2 THR A 69 12.071 -2.782 6.943 1.00 22.04 C ATOM 0 H THR A 69 9.505 -1.653 7.113 1.00 74.32 H new ATOM 0 HA THR A 69 10.599 -2.464 4.527 1.00 22.31 H new ATOM 0 HB THR A 69 11.455 -4.379 5.667 1.00 31.51 H new ATOM 0 HG1 THR A 69 10.814 -4.833 7.876 1.00 72.15 H new ATOM 0 HG21 THR A 69 12.711 -3.415 7.558 1.00 22.04 H new ATOM 0 HG22 THR A 69 12.669 -2.309 6.164 1.00 22.04 H new ATOM 0 HG23 THR A 69 11.614 -2.013 7.566 1.00 22.04 H new ATOM 1104 N PHE A 70 9.068 -4.637 4.244 1.00 44.21 N ATOM 1105 CA PHE A 70 7.987 -5.504 3.792 1.00 72.31 C ATOM 1106 C PHE A 70 7.301 -6.180 4.976 1.00 53.15 C ATOM 1107 O PHE A 70 6.086 -6.078 5.144 1.00 44.53 O ATOM 1108 CB PHE A 70 8.524 -6.563 2.827 1.00 75.34 C ATOM 1109 CG PHE A 70 7.636 -7.769 2.706 1.00 50.15 C ATOM 1110 CD1 PHE A 70 6.505 -7.735 1.906 1.00 33.33 C ATOM 1111 CD2 PHE A 70 7.933 -8.936 3.391 1.00 13.35 C ATOM 1112 CE1 PHE A 70 5.686 -8.843 1.792 1.00 31.24 C ATOM 1113 CE2 PHE A 70 7.118 -10.047 3.281 1.00 0.41 C ATOM 1114 CZ PHE A 70 5.993 -10.000 2.482 1.00 54.04 C ATOM 0 H PHE A 70 9.993 -4.907 3.909 1.00 44.21 H new ATOM 0 HA PHE A 70 7.253 -4.888 3.273 1.00 72.31 H new ATOM 0 HB2 PHE A 70 8.650 -6.114 1.842 1.00 75.34 H new ATOM 0 HB3 PHE A 70 9.511 -6.881 3.162 1.00 75.34 H new ATOM 0 HD1 PHE A 70 6.261 -6.833 1.365 1.00 33.33 H new ATOM 0 HD2 PHE A 70 8.811 -8.978 4.018 1.00 13.35 H new ATOM 0 HE1 PHE A 70 4.808 -8.804 1.165 1.00 31.24 H new ATOM 0 HE2 PHE A 70 7.361 -10.951 3.820 1.00 0.41 H new ATOM 0 HZ PHE A 70 5.354 -10.866 2.396 1.00 54.04 H new ATOM 1124 N ASN A 71 8.089 -6.871 5.793 1.00 74.32 N ATOM 1125 CA ASN A 71 7.558 -7.565 6.960 1.00 33.35 C ATOM 1126 C ASN A 71 6.970 -6.575 7.961 1.00 32.02 C ATOM 1127 O ASN A 71 5.952 -6.848 8.597 1.00 33.33 O ATOM 1128 CB ASN A 71 8.656 -8.393 7.631 1.00 61.35 C ATOM 1129 CG ASN A 71 8.278 -9.856 7.763 1.00 42.03 C ATOM 1130 OD1 ASN A 71 7.121 -10.189 8.021 1.00 5.24 O ATOM 1131 ND2 ASN A 71 9.255 -10.738 7.586 1.00 42.35 N ATOM 0 H ASN A 71 9.097 -6.965 5.668 1.00 74.32 H new ATOM 0 HA ASN A 71 6.763 -8.231 6.624 1.00 33.35 H new ATOM 0 HB2 ASN A 71 9.576 -8.309 7.052 1.00 61.35 H new ATOM 0 HB3 ASN A 71 8.863 -7.983 8.620 1.00 61.35 H new ATOM 0 HD21 ASN A 71 9.061 -11.736 7.662 1.00 42.35 H new ATOM 0 HD22 ASN A 71 10.200 -10.417 7.374 1.00 42.35 H new ATOM 1138 N LYS A 72 7.618 -5.423 8.095 1.00 13.22 N ATOM 1139 CA LYS A 72 7.160 -4.389 9.016 1.00 33.54 C ATOM 1140 C LYS A 72 5.820 -3.816 8.568 1.00 55.34 C ATOM 1141 O LYS A 72 4.881 -3.713 9.358 1.00 41.12 O ATOM 1142 CB LYS A 72 8.198 -3.270 9.116 1.00 1.24 C ATOM 1143 CG LYS A 72 7.707 -2.051 9.879 1.00 61.33 C ATOM 1144 CD LYS A 72 7.233 -2.420 11.274 1.00 30.44 C ATOM 1145 CE LYS A 72 6.694 -1.208 12.019 1.00 71.34 C ATOM 1146 NZ LYS A 72 7.786 -0.406 12.637 1.00 73.15 N ATOM 0 H LYS A 72 8.463 -5.181 7.577 1.00 13.22 H new ATOM 0 HA LYS A 72 7.030 -4.844 9.998 1.00 33.54 H new ATOM 0 HB2 LYS A 72 9.092 -3.658 9.604 1.00 1.24 H new ATOM 0 HB3 LYS A 72 8.490 -2.966 8.111 1.00 1.24 H new ATOM 0 HG2 LYS A 72 8.510 -1.317 9.949 1.00 61.33 H new ATOM 0 HG3 LYS A 72 6.892 -1.581 9.329 1.00 61.33 H new ATOM 0 HD2 LYS A 72 6.456 -3.181 11.206 1.00 30.44 H new ATOM 0 HD3 LYS A 72 8.059 -2.856 11.836 1.00 30.44 H new ATOM 0 HE2 LYS A 72 6.128 -0.581 11.330 1.00 71.34 H new ATOM 0 HE3 LYS A 72 6.001 -1.536 12.794 1.00 71.34 H new ATOM 0 HZ1 LYS A 72 7.378 0.411 13.135 1.00 73.15 H new ATOM 0 HZ2 LYS A 72 8.311 -0.997 13.313 1.00 73.15 H new ATOM 0 HZ3 LYS A 72 8.433 -0.071 11.895 1.00 73.15 H new ATOM 1160 N VAL A 73 5.736 -3.444 7.294 1.00 65.40 N ATOM 1161 CA VAL A 73 4.510 -2.884 6.740 1.00 41.44 C ATOM 1162 C VAL A 73 3.325 -3.813 6.975 1.00 21.31 C ATOM 1163 O VAL A 73 2.177 -3.372 7.037 1.00 45.44 O ATOM 1164 CB VAL A 73 4.648 -2.618 5.229 1.00 55.43 C ATOM 1165 CG1 VAL A 73 3.285 -2.351 4.607 1.00 20.12 C ATOM 1166 CG2 VAL A 73 5.594 -1.454 4.977 1.00 43.20 C ATOM 0 H VAL A 73 6.503 -3.521 6.627 1.00 65.40 H new ATOM 0 HA VAL A 73 4.334 -1.939 7.254 1.00 41.44 H new ATOM 0 HB VAL A 73 5.068 -3.507 4.759 1.00 55.43 H new ATOM 0 HG11 VAL A 73 3.402 -2.165 3.539 1.00 20.12 H new ATOM 0 HG12 VAL A 73 2.641 -3.218 4.756 1.00 20.12 H new ATOM 0 HG13 VAL A 73 2.834 -1.478 5.080 1.00 20.12 H new ATOM 0 HG21 VAL A 73 5.680 -1.280 3.904 1.00 43.20 H new ATOM 0 HG22 VAL A 73 5.205 -0.558 5.460 1.00 43.20 H new ATOM 0 HG23 VAL A 73 6.577 -1.689 5.386 1.00 43.20 H new ATOM 1176 N LYS A 74 3.610 -5.104 7.107 1.00 62.30 N ATOM 1177 CA LYS A 74 2.569 -6.099 7.338 1.00 50.41 C ATOM 1178 C LYS A 74 1.883 -5.866 8.680 1.00 20.34 C ATOM 1179 O LYS A 74 0.838 -6.452 8.963 1.00 12.12 O ATOM 1180 CB LYS A 74 3.163 -7.508 7.294 1.00 75.44 C ATOM 1181 CG LYS A 74 3.550 -7.962 5.897 1.00 51.33 C ATOM 1182 CD LYS A 74 2.501 -8.885 5.299 1.00 4.11 C ATOM 1183 CE LYS A 74 3.068 -9.700 4.147 1.00 40.24 C ATOM 1184 NZ LYS A 74 2.054 -9.933 3.081 1.00 3.10 N ATOM 0 H LYS A 74 4.554 -5.486 7.058 1.00 62.30 H new ATOM 0 HA LYS A 74 1.825 -6.001 6.548 1.00 50.41 H new ATOM 0 HB2 LYS A 74 4.044 -7.542 7.935 1.00 75.44 H new ATOM 0 HB3 LYS A 74 2.440 -8.211 7.708 1.00 75.44 H new ATOM 0 HG2 LYS A 74 3.679 -7.092 5.254 1.00 51.33 H new ATOM 0 HG3 LYS A 74 4.510 -8.477 5.934 1.00 51.33 H new ATOM 0 HD2 LYS A 74 2.124 -9.557 6.070 1.00 4.11 H new ATOM 0 HD3 LYS A 74 1.654 -8.296 4.947 1.00 4.11 H new ATOM 0 HE2 LYS A 74 3.928 -9.181 3.723 1.00 40.24 H new ATOM 0 HE3 LYS A 74 3.427 -10.658 4.522 1.00 40.24 H new ATOM 0 HZ1 LYS A 74 2.535 -10.179 2.192 1.00 3.10 H new ATOM 0 HZ2 LYS A 74 1.427 -10.714 3.363 1.00 3.10 H new ATOM 0 HZ3 LYS A 74 1.491 -9.070 2.943 1.00 3.10 H new ATOM 1198 N TRP A 75 2.477 -5.008 9.502 1.00 74.30 N ATOM 1199 CA TRP A 75 1.921 -4.698 10.814 1.00 21.04 C ATOM 1200 C TRP A 75 0.626 -3.904 10.683 1.00 32.54 C ATOM 1201 O TRP A 75 -0.179 -3.853 11.614 1.00 23.41 O ATOM 1202 CB TRP A 75 2.934 -3.910 11.647 1.00 63.44 C ATOM 1203 CG TRP A 75 2.989 -2.455 11.295 1.00 55.45 C ATOM 1204 CD1 TRP A 75 2.943 -1.912 10.042 1.00 24.10 C ATOM 1205 CD2 TRP A 75 3.100 -1.356 12.206 1.00 70.10 C ATOM 1206 NE1 TRP A 75 3.020 -0.542 10.120 1.00 62.40 N ATOM 1207 CE2 TRP A 75 3.116 -0.176 11.436 1.00 30.35 C ATOM 1208 CE3 TRP A 75 3.186 -1.254 13.597 1.00 13.00 C ATOM 1209 CZ2 TRP A 75 3.215 1.087 12.013 1.00 25.03 C ATOM 1210 CZ3 TRP A 75 3.285 0.001 14.168 1.00 73.50 C ATOM 1211 CH2 TRP A 75 3.298 1.157 13.377 1.00 2.44 C ATOM 0 H TRP A 75 3.343 -4.515 9.283 1.00 74.30 H new ATOM 0 HA TRP A 75 1.699 -5.639 11.318 1.00 21.04 H new ATOM 0 HB2 TRP A 75 2.683 -4.012 12.703 1.00 63.44 H new ATOM 0 HB3 TRP A 75 3.923 -4.347 11.511 1.00 63.44 H new ATOM 0 HD1 TRP A 75 2.859 -2.476 9.125 1.00 24.10 H new ATOM 0 HE1 TRP A 75 3.008 0.098 9.326 1.00 62.40 H new ATOM 0 HE3 TRP A 75 3.175 -2.140 14.215 1.00 13.00 H new ATOM 0 HZ2 TRP A 75 3.226 1.980 11.406 1.00 25.03 H new ATOM 0 HZ3 TRP A 75 3.353 0.092 15.242 1.00 73.50 H new ATOM 0 HH2 TRP A 75 3.375 2.123 13.853 1.00 2.44 H new ATOM 1222 N TYR A 76 0.430 -3.287 9.524 1.00 61.13 N ATOM 1223 CA TYR A 76 -0.767 -2.494 9.273 1.00 74.04 C ATOM 1224 C TYR A 76 -1.635 -3.142 8.198 1.00 22.40 C ATOM 1225 O TYR A 76 -2.836 -3.337 8.387 1.00 54.22 O ATOM 1226 CB TYR A 76 -0.385 -1.075 8.848 1.00 60.24 C ATOM 1227 CG TYR A 76 -0.547 -0.050 9.947 1.00 41.43 C ATOM 1228 CD1 TYR A 76 -1.650 -0.075 10.791 1.00 21.21 C ATOM 1229 CD2 TYR A 76 0.404 0.945 10.141 1.00 30.22 C ATOM 1230 CE1 TYR A 76 -1.802 0.860 11.796 1.00 52.41 C ATOM 1231 CE2 TYR A 76 0.261 1.884 11.144 1.00 33.35 C ATOM 1232 CZ TYR A 76 -0.844 1.838 11.969 1.00 72.42 C ATOM 1233 OH TYR A 76 -0.992 2.771 12.969 1.00 25.45 O ATOM 0 H TYR A 76 1.085 -3.321 8.743 1.00 61.13 H new ATOM 0 HA TYR A 76 -1.341 -2.447 10.199 1.00 74.04 H new ATOM 0 HB2 TYR A 76 0.651 -1.072 8.510 1.00 60.24 H new ATOM 0 HB3 TYR A 76 -0.999 -0.782 7.996 1.00 60.24 H new ATOM 0 HD1 TYR A 76 -2.402 -0.839 10.659 1.00 21.21 H new ATOM 0 HD2 TYR A 76 1.270 0.985 9.496 1.00 30.22 H new ATOM 0 HE1 TYR A 76 -2.666 0.826 12.443 1.00 52.41 H new ATOM 0 HE2 TYR A 76 1.010 2.650 11.282 1.00 33.35 H new ATOM 0 HH TYR A 76 -0.109 3.059 13.281 1.00 25.45 H new ATOM 1243 N LEU A 77 -1.017 -3.476 7.070 1.00 11.22 N ATOM 1244 CA LEU A 77 -1.731 -4.104 5.964 1.00 40.43 C ATOM 1245 C LEU A 77 -2.158 -5.522 6.326 1.00 31.33 C ATOM 1246 O LEU A 77 -3.228 -5.980 5.928 1.00 60.54 O ATOM 1247 CB LEU A 77 -0.852 -4.128 4.712 1.00 40.40 C ATOM 1248 CG LEU A 77 -0.589 -2.774 4.050 1.00 32.43 C ATOM 1249 CD1 LEU A 77 0.491 -2.901 2.987 1.00 1.34 C ATOM 1250 CD2 LEU A 77 -1.871 -2.218 3.447 1.00 2.33 C ATOM 0 H LEU A 77 -0.023 -3.322 6.898 1.00 11.22 H new ATOM 0 HA LEU A 77 -2.626 -3.516 5.761 1.00 40.43 H new ATOM 0 HB2 LEU A 77 0.107 -4.574 4.974 1.00 40.40 H new ATOM 0 HB3 LEU A 77 -1.318 -4.785 3.977 1.00 40.40 H new ATOM 0 HG LEU A 77 -0.239 -2.079 4.813 1.00 32.43 H new ATOM 0 HD11 LEU A 77 0.665 -1.928 2.527 1.00 1.34 H new ATOM 0 HD12 LEU A 77 1.414 -3.255 3.446 1.00 1.34 H new ATOM 0 HD13 LEU A 77 0.170 -3.611 2.225 1.00 1.34 H new ATOM 0 HD21 LEU A 77 -1.666 -1.255 2.980 1.00 2.33 H new ATOM 0 HD22 LEU A 77 -2.251 -2.911 2.696 1.00 2.33 H new ATOM 0 HD23 LEU A 77 -2.616 -2.089 4.232 1.00 2.33 H new ATOM 1262 N GLY A 78 -1.314 -6.213 7.087 1.00 13.24 N ATOM 1263 CA GLY A 78 -1.623 -7.572 7.493 1.00 51.40 C ATOM 1264 C GLY A 78 -1.087 -8.603 6.520 1.00 24.04 C ATOM 1265 O GLY A 78 -0.924 -8.321 5.334 1.00 61.24 O ATOM 0 H GLY A 78 -0.422 -5.856 7.429 1.00 13.24 H new ATOM 0 HA2 GLY A 78 -1.203 -7.757 8.482 1.00 51.40 H new ATOM 0 HA3 GLY A 78 -2.704 -7.685 7.579 1.00 51.40 H new ATOM 1269 N ALA A 79 -0.810 -9.801 7.024 1.00 24.21 N ATOM 1270 CA ALA A 79 -0.289 -10.878 6.191 1.00 24.24 C ATOM 1271 C ALA A 79 -1.387 -11.481 5.323 1.00 53.04 C ATOM 1272 O ALA A 79 -1.116 -12.028 4.254 1.00 73.52 O ATOM 1273 CB ALA A 79 0.351 -11.953 7.058 1.00 42.12 C ATOM 0 H ALA A 79 -0.938 -10.050 8.005 1.00 24.21 H new ATOM 0 HA ALA A 79 0.470 -10.459 5.531 1.00 24.24 H new ATOM 0 HB1 ALA A 79 0.736 -12.751 6.423 1.00 42.12 H new ATOM 0 HB2 ALA A 79 1.170 -11.518 7.631 1.00 42.12 H new ATOM 0 HB3 ALA A 79 -0.394 -12.360 7.742 1.00 42.12 H new ATOM 1279 N ARG A 80 -2.628 -11.377 5.789 1.00 64.33 N ATOM 1280 CA ARG A 80 -3.767 -11.914 5.055 1.00 70.24 C ATOM 1281 C ARG A 80 -3.772 -11.411 3.614 1.00 24.10 C ATOM 1282 O ARG A 80 -4.148 -12.138 2.693 1.00 3.25 O ATOM 1283 CB ARG A 80 -5.075 -11.526 5.746 1.00 52.31 C ATOM 1284 CG ARG A 80 -5.195 -12.056 7.165 1.00 3.14 C ATOM 1285 CD ARG A 80 -5.405 -13.562 7.182 1.00 41.13 C ATOM 1286 NE ARG A 80 -6.820 -13.916 7.250 1.00 30.32 N ATOM 1287 CZ ARG A 80 -7.535 -13.874 8.369 1.00 22.40 C ATOM 1288 NH1 ARG A 80 -6.970 -13.495 9.507 1.00 43.12 N ATOM 1289 NH2 ARG A 80 -8.818 -14.212 8.351 1.00 0.01 N ATOM 0 H ARG A 80 -2.870 -10.926 6.671 1.00 64.33 H new ATOM 0 HA ARG A 80 -3.679 -13.000 5.042 1.00 70.24 H new ATOM 0 HB2 ARG A 80 -5.157 -10.439 5.765 1.00 52.31 H new ATOM 0 HB3 ARG A 80 -5.912 -11.899 5.156 1.00 52.31 H new ATOM 0 HG2 ARG A 80 -4.294 -11.807 7.725 1.00 3.14 H new ATOM 0 HG3 ARG A 80 -6.028 -11.566 7.668 1.00 3.14 H new ATOM 0 HD2 ARG A 80 -4.964 -14.000 6.286 1.00 41.13 H new ATOM 0 HD3 ARG A 80 -4.882 -13.991 8.037 1.00 41.13 H new ATOM 0 HE ARG A 80 -7.285 -14.212 6.392 1.00 30.32 H new ATOM 0 HH11 ARG A 80 -5.984 -13.235 9.525 1.00 43.12 H new ATOM 0 HH12 ARG A 80 -7.521 -13.464 10.365 1.00 43.12 H new ATOM 0 HH21 ARG A 80 -9.256 -14.504 7.478 1.00 0.01 H new ATOM 0 HH22 ARG A 80 -9.366 -14.179 9.211 1.00 0.01 H new ATOM 1303 N CYS A 81 -3.352 -10.165 3.427 1.00 13.30 N ATOM 1304 CA CYS A 81 -3.309 -9.564 2.099 1.00 53.34 C ATOM 1305 C CYS A 81 -1.879 -9.512 1.571 1.00 10.14 C ATOM 1306 O CYS A 81 -0.940 -9.237 2.319 1.00 21.53 O ATOM 1307 CB CYS A 81 -3.904 -8.155 2.134 1.00 70.21 C ATOM 1308 SG CYS A 81 -2.885 -6.945 3.010 1.00 71.32 S ATOM 0 H CYS A 81 -3.036 -9.551 4.178 1.00 13.30 H new ATOM 0 HA CYS A 81 -3.902 -10.185 1.428 1.00 53.34 H new ATOM 0 HB2 CYS A 81 -4.058 -7.812 1.111 1.00 70.21 H new ATOM 0 HB3 CYS A 81 -4.885 -8.198 2.607 1.00 70.21 H new ATOM 0 HG CYS A 81 -3.347 -6.779 4.214 1.00 71.32 H new ATOM 1314 N HIS A 82 -1.720 -9.779 0.279 1.00 52.11 N ATOM 1315 CA HIS A 82 -0.404 -9.764 -0.349 1.00 4.23 C ATOM 1316 C HIS A 82 0.045 -8.334 -0.636 1.00 71.10 C ATOM 1317 O HIS A 82 -0.675 -7.564 -1.272 1.00 11.31 O ATOM 1318 CB HIS A 82 -0.424 -10.575 -1.645 1.00 1.42 C ATOM 1319 CG HIS A 82 0.941 -10.910 -2.163 1.00 32.12 C ATOM 1320 ND1 HIS A 82 1.740 -11.883 -1.602 1.00 25.33 N ATOM 1321 CD2 HIS A 82 1.646 -10.397 -3.198 1.00 12.31 C ATOM 1322 CE1 HIS A 82 2.879 -11.953 -2.268 1.00 50.22 C ATOM 1323 NE2 HIS A 82 2.847 -11.061 -3.242 1.00 73.32 N ATOM 0 H HIS A 82 -2.486 -10.008 -0.354 1.00 52.11 H new ATOM 0 HA HIS A 82 0.306 -10.217 0.343 1.00 4.23 H new ATOM 0 HB2 HIS A 82 -0.977 -11.499 -1.477 1.00 1.42 H new ATOM 0 HB3 HIS A 82 -0.965 -10.014 -2.407 1.00 1.42 H new ATOM 0 HD2 HIS A 82 1.324 -9.611 -3.865 1.00 12.31 H new ATOM 0 HE1 HIS A 82 3.697 -12.625 -2.053 1.00 50.22 H new ATOM 0 HE2 HIS A 82 3.593 -10.893 -3.917 1.00 73.32 H new ATOM 1331 N ILE A 83 1.237 -7.987 -0.163 1.00 40.21 N ATOM 1332 CA ILE A 83 1.781 -6.650 -0.370 1.00 34.32 C ATOM 1333 C ILE A 83 3.012 -6.690 -1.269 1.00 31.55 C ATOM 1334 O ILE A 83 3.772 -7.658 -1.253 1.00 73.21 O ATOM 1335 CB ILE A 83 2.156 -5.982 0.966 1.00 34.22 C ATOM 1336 CG1 ILE A 83 3.252 -6.783 1.671 1.00 4.45 C ATOM 1337 CG2 ILE A 83 0.929 -5.855 1.857 1.00 1.33 C ATOM 1338 CD1 ILE A 83 3.831 -6.080 2.880 1.00 70.12 C ATOM 0 H ILE A 83 1.845 -8.613 0.366 1.00 40.21 H new ATOM 0 HA ILE A 83 1.000 -6.063 -0.854 1.00 34.32 H new ATOM 0 HB ILE A 83 2.538 -4.982 0.761 1.00 34.22 H new ATOM 0 HG12 ILE A 83 2.845 -7.746 1.981 1.00 4.45 H new ATOM 0 HG13 ILE A 83 4.054 -6.989 0.962 1.00 4.45 H new ATOM 0 HG21 ILE A 83 1.210 -5.381 2.798 1.00 1.33 H new ATOM 0 HG22 ILE A 83 0.176 -5.247 1.355 1.00 1.33 H new ATOM 0 HG23 ILE A 83 0.521 -6.846 2.058 1.00 1.33 H new ATOM 0 HD11 ILE A 83 4.602 -6.705 3.330 1.00 70.12 H new ATOM 0 HD12 ILE A 83 4.268 -5.130 2.574 1.00 70.12 H new ATOM 0 HD13 ILE A 83 3.041 -5.898 3.608 1.00 70.12 H new ATOM 1350 N GLU A 84 3.203 -5.632 -2.049 1.00 52.44 N ATOM 1351 CA GLU A 84 4.343 -5.546 -2.954 1.00 62.21 C ATOM 1352 C GLU A 84 4.782 -4.097 -3.140 1.00 44.25 C ATOM 1353 O GLU A 84 4.048 -3.166 -2.810 1.00 54.34 O ATOM 1354 CB GLU A 84 3.994 -6.163 -4.310 1.00 60.21 C ATOM 1355 CG GLU A 84 4.951 -7.261 -4.744 1.00 11.11 C ATOM 1356 CD GLU A 84 4.419 -8.071 -5.910 1.00 63.02 C ATOM 1357 OE1 GLU A 84 3.205 -8.360 -5.928 1.00 54.20 O ATOM 1358 OE2 GLU A 84 5.219 -8.416 -6.806 1.00 12.05 O ATOM 0 H GLU A 84 2.583 -4.822 -2.073 1.00 52.44 H new ATOM 0 HA GLU A 84 5.168 -6.103 -2.511 1.00 62.21 H new ATOM 0 HB2 GLU A 84 2.984 -6.570 -4.265 1.00 60.21 H new ATOM 0 HB3 GLU A 84 3.988 -5.378 -5.066 1.00 60.21 H new ATOM 0 HG2 GLU A 84 5.907 -6.816 -5.021 1.00 11.11 H new ATOM 0 HG3 GLU A 84 5.141 -7.926 -3.901 1.00 11.11 H new ATOM 1365 N LYS A 85 5.987 -3.913 -3.671 1.00 74.44 N ATOM 1366 CA LYS A 85 6.526 -2.579 -3.903 1.00 52.34 C ATOM 1367 C LYS A 85 5.902 -1.948 -5.144 1.00 51.21 C ATOM 1368 O LYS A 85 5.812 -2.581 -6.195 1.00 45.15 O ATOM 1369 CB LYS A 85 8.047 -2.641 -4.060 1.00 11.11 C ATOM 1370 CG LYS A 85 8.504 -3.506 -5.222 1.00 52.41 C ATOM 1371 CD LYS A 85 10.009 -3.712 -5.205 1.00 61.33 C ATOM 1372 CE LYS A 85 10.656 -3.202 -6.484 1.00 21.12 C ATOM 1373 NZ LYS A 85 12.130 -3.052 -6.338 1.00 4.03 N ATOM 0 H LYS A 85 6.609 -4.673 -3.949 1.00 74.44 H new ATOM 0 HA LYS A 85 6.281 -1.960 -3.040 1.00 52.34 H new ATOM 0 HB2 LYS A 85 8.431 -1.630 -4.197 1.00 11.11 H new ATOM 0 HB3 LYS A 85 8.484 -3.025 -3.138 1.00 11.11 H new ATOM 0 HG2 LYS A 85 8.003 -4.473 -5.176 1.00 52.41 H new ATOM 0 HG3 LYS A 85 8.210 -3.039 -6.162 1.00 52.41 H new ATOM 0 HD2 LYS A 85 10.438 -3.194 -4.347 1.00 61.33 H new ATOM 0 HD3 LYS A 85 10.231 -4.772 -5.081 1.00 61.33 H new ATOM 0 HE2 LYS A 85 10.440 -3.892 -7.300 1.00 21.12 H new ATOM 0 HE3 LYS A 85 10.218 -2.241 -6.754 1.00 21.12 H new ATOM 0 HZ1 LYS A 85 12.533 -2.703 -7.231 1.00 4.03 H new ATOM 0 HZ2 LYS A 85 12.336 -2.375 -5.576 1.00 4.03 H new ATOM 0 HZ3 LYS A 85 12.551 -3.974 -6.105 1.00 4.03 H new ATOM 1387 N ALA A 86 5.473 -0.697 -5.014 1.00 42.41 N ATOM 1388 CA ALA A 86 4.861 0.021 -6.126 1.00 22.52 C ATOM 1389 C ALA A 86 5.916 0.728 -6.970 1.00 71.31 C ATOM 1390 O ALA A 86 7.022 0.999 -6.502 1.00 32.12 O ATOM 1391 CB ALA A 86 3.838 1.021 -5.609 1.00 41.21 C ATOM 0 H ALA A 86 5.538 -0.159 -4.150 1.00 42.41 H new ATOM 0 HA ALA A 86 4.354 -0.706 -6.760 1.00 22.52 H new ATOM 0 HB1 ALA A 86 3.389 1.550 -6.450 1.00 41.21 H new ATOM 0 HB2 ALA A 86 3.061 0.494 -5.055 1.00 41.21 H new ATOM 0 HB3 ALA A 86 4.330 1.737 -4.951 1.00 41.21 H new ATOM 1397 N LYS A 87 5.568 1.024 -8.218 1.00 35.53 N ATOM 1398 CA LYS A 87 6.483 1.700 -9.128 1.00 65.15 C ATOM 1399 C LYS A 87 5.723 2.605 -10.092 1.00 51.12 C ATOM 1400 O LYS A 87 4.629 2.269 -10.542 1.00 74.44 O ATOM 1401 CB LYS A 87 7.303 0.674 -9.915 1.00 3.42 C ATOM 1402 CG LYS A 87 6.512 -0.033 -11.002 1.00 0.35 C ATOM 1403 CD LYS A 87 6.769 -1.530 -10.994 1.00 23.21 C ATOM 1404 CE LYS A 87 6.038 -2.227 -12.131 1.00 65.03 C ATOM 1405 NZ LYS A 87 6.876 -3.283 -12.764 1.00 61.31 N ATOM 0 H LYS A 87 4.657 0.806 -8.622 1.00 35.53 H new ATOM 0 HA LYS A 87 7.157 2.317 -8.533 1.00 65.15 H new ATOM 0 HB2 LYS A 87 8.158 1.175 -10.368 1.00 3.42 H new ATOM 0 HB3 LYS A 87 7.699 -0.070 -9.223 1.00 3.42 H new ATOM 0 HG2 LYS A 87 5.448 0.155 -10.860 1.00 0.35 H new ATOM 0 HG3 LYS A 87 6.781 0.378 -11.975 1.00 0.35 H new ATOM 0 HD2 LYS A 87 7.839 -1.717 -11.080 1.00 23.21 H new ATOM 0 HD3 LYS A 87 6.447 -1.950 -10.041 1.00 23.21 H new ATOM 0 HE2 LYS A 87 5.118 -2.672 -11.752 1.00 65.03 H new ATOM 0 HE3 LYS A 87 5.751 -1.492 -12.883 1.00 65.03 H new ATOM 0 HZ1 LYS A 87 6.342 -3.734 -13.534 1.00 61.31 H new ATOM 0 HZ2 LYS A 87 7.743 -2.855 -13.148 1.00 61.31 H new ATOM 0 HZ3 LYS A 87 7.129 -3.998 -12.053 1.00 61.31 H new ATOM 1419 N GLY A 88 6.311 3.756 -10.406 1.00 23.51 N ATOM 1420 CA GLY A 88 5.675 4.690 -11.316 1.00 1.35 C ATOM 1421 C GLY A 88 5.431 6.044 -10.679 1.00 31.14 C ATOM 1422 O GLY A 88 5.753 6.256 -9.509 1.00 14.01 O ATOM 0 H GLY A 88 7.216 4.058 -10.046 1.00 23.51 H new ATOM 0 HA2 GLY A 88 6.301 4.815 -12.200 1.00 1.35 H new ATOM 0 HA3 GLY A 88 4.726 4.274 -11.654 1.00 1.35 H new ATOM 1426 N THR A 89 4.861 6.965 -11.450 1.00 3.13 N ATOM 1427 CA THR A 89 4.577 8.306 -10.955 1.00 51.22 C ATOM 1428 C THR A 89 3.261 8.341 -10.187 1.00 54.41 C ATOM 1429 O THR A 89 2.532 7.350 -10.140 1.00 54.44 O ATOM 1430 CB THR A 89 4.514 9.328 -12.106 1.00 71.24 C ATOM 1431 OG1 THR A 89 3.306 9.149 -12.855 1.00 21.24 O ATOM 1432 CG2 THR A 89 5.715 9.179 -13.029 1.00 35.35 C ATOM 0 H THR A 89 4.587 6.806 -12.420 1.00 3.13 H new ATOM 0 HA THR A 89 5.393 8.575 -10.284 1.00 51.22 H new ATOM 0 HB THR A 89 4.529 10.329 -11.674 1.00 71.24 H new ATOM 0 HG1 THR A 89 3.273 9.804 -13.584 1.00 21.24 H new ATOM 0 HG21 THR A 89 5.648 9.911 -13.834 1.00 35.35 H new ATOM 0 HG22 THR A 89 6.632 9.344 -12.463 1.00 35.35 H new ATOM 0 HG23 THR A 89 5.726 8.175 -13.452 1.00 35.35 H new ATOM 1440 N ASP A 90 2.962 9.488 -9.587 1.00 11.21 N ATOM 1441 CA ASP A 90 1.731 9.653 -8.822 1.00 24.22 C ATOM 1442 C ASP A 90 0.513 9.302 -9.670 1.00 51.53 C ATOM 1443 O ASP A 90 -0.431 8.676 -9.189 1.00 4.35 O ATOM 1444 CB ASP A 90 1.614 11.088 -8.307 1.00 0.22 C ATOM 1445 CG ASP A 90 1.353 12.083 -9.420 1.00 42.34 C ATOM 1446 OD1 ASP A 90 2.207 12.200 -10.325 1.00 30.33 O ATOM 1447 OD2 ASP A 90 0.295 12.745 -9.388 1.00 51.22 O ATOM 0 H ASP A 90 3.555 10.317 -9.615 1.00 11.21 H new ATOM 0 HA ASP A 90 1.767 8.972 -7.971 1.00 24.22 H new ATOM 0 HB2 ASP A 90 0.807 11.144 -7.577 1.00 0.22 H new ATOM 0 HB3 ASP A 90 2.533 11.361 -7.788 1.00 0.22 H new ATOM 1452 N GLN A 91 0.541 9.712 -10.934 1.00 70.14 N ATOM 1453 CA GLN A 91 -0.562 9.442 -11.849 1.00 14.42 C ATOM 1454 C GLN A 91 -0.640 7.957 -12.185 1.00 71.13 C ATOM 1455 O GLN A 91 -1.728 7.404 -12.344 1.00 62.32 O ATOM 1456 CB GLN A 91 -0.401 10.260 -13.131 1.00 51.33 C ATOM 1457 CG GLN A 91 -0.417 11.763 -12.901 1.00 24.23 C ATOM 1458 CD GLN A 91 -1.818 12.310 -12.714 1.00 41.20 C ATOM 1459 OE1 GLN A 91 -2.460 12.743 -13.671 1.00 74.11 O ATOM 1460 NE2 GLN A 91 -2.300 12.294 -11.477 1.00 31.11 N ATOM 0 H GLN A 91 1.315 10.232 -11.348 1.00 70.14 H new ATOM 0 HA GLN A 91 -1.489 9.733 -11.355 1.00 14.42 H new ATOM 0 HB2 GLN A 91 0.537 9.985 -13.612 1.00 51.33 H new ATOM 0 HB3 GLN A 91 -1.202 9.998 -13.822 1.00 51.33 H new ATOM 0 HG2 GLN A 91 0.181 11.998 -12.021 1.00 24.23 H new ATOM 0 HG3 GLN A 91 0.053 12.261 -13.749 1.00 24.23 H new ATOM 0 HE21 GLN A 91 -1.733 11.926 -10.713 1.00 31.11 H new ATOM 0 HE22 GLN A 91 -3.237 12.650 -11.290 1.00 31.11 H new ATOM 1469 N GLN A 92 0.520 7.318 -12.293 1.00 4.13 N ATOM 1470 CA GLN A 92 0.583 5.897 -12.612 1.00 33.44 C ATOM 1471 C GLN A 92 -0.070 5.063 -11.514 1.00 12.32 C ATOM 1472 O GLN A 92 -0.781 4.099 -11.793 1.00 53.11 O ATOM 1473 CB GLN A 92 2.036 5.459 -12.805 1.00 34.12 C ATOM 1474 CG GLN A 92 2.431 5.289 -14.263 1.00 3.43 C ATOM 1475 CD GLN A 92 3.242 4.031 -14.505 1.00 53.41 C ATOM 1476 OE1 GLN A 92 2.687 2.949 -14.695 1.00 31.42 O ATOM 1477 NE2 GLN A 92 4.563 4.168 -14.500 1.00 74.32 N ATOM 0 H GLN A 92 1.429 7.762 -12.164 1.00 4.13 H new ATOM 0 HA GLN A 92 0.036 5.735 -13.541 1.00 33.44 H new ATOM 0 HB2 GLN A 92 2.693 6.195 -12.343 1.00 34.12 H new ATOM 0 HB3 GLN A 92 2.195 4.516 -12.282 1.00 34.12 H new ATOM 0 HG2 GLN A 92 1.532 5.261 -14.878 1.00 3.43 H new ATOM 0 HG3 GLN A 92 3.009 6.156 -14.582 1.00 3.43 H new ATOM 0 HE21 GLN A 92 4.980 5.085 -14.338 1.00 74.32 H new ATOM 0 HE22 GLN A 92 5.160 3.357 -14.658 1.00 74.32 H new ATOM 1486 N ASN A 93 0.177 5.442 -10.264 1.00 41.00 N ATOM 1487 CA ASN A 93 -0.386 4.729 -9.124 1.00 32.44 C ATOM 1488 C ASN A 93 -1.857 5.086 -8.930 1.00 43.45 C ATOM 1489 O ASN A 93 -2.699 4.212 -8.727 1.00 62.53 O ATOM 1490 CB ASN A 93 0.401 5.054 -7.852 1.00 53.34 C ATOM 1491 CG ASN A 93 1.715 4.302 -7.778 1.00 23.05 C ATOM 1492 OD1 ASN A 93 2.445 4.275 -8.887 1.00 1.33 O flip ATOM 1493 ND2 ASN A 93 2.070 3.752 -6.735 1.00 21.44 N flip ATOM 0 H ASN A 93 0.763 6.239 -10.015 1.00 41.00 H new ATOM 0 HA ASN A 93 -0.313 3.660 -9.325 1.00 32.44 H new ATOM 0 HB2 ASN A 93 0.596 6.126 -7.812 1.00 53.34 H new ATOM 0 HB3 ASN A 93 -0.205 4.808 -6.980 1.00 53.34 H new ATOM 0 HD21 ASN A 93 1.477 3.799 -5.906 1.00 21.44 H new ATOM 0 HD22 ASN A 93 2.957 3.250 -6.700 1.00 21.44 H new ATOM 1500 N LYS A 94 -2.159 6.379 -8.996 1.00 20.42 N ATOM 1501 CA LYS A 94 -3.527 6.854 -8.830 1.00 54.14 C ATOM 1502 C LYS A 94 -4.434 6.292 -9.921 1.00 11.33 C ATOM 1503 O LYS A 94 -5.547 5.845 -9.645 1.00 40.51 O ATOM 1504 CB LYS A 94 -3.565 8.384 -8.859 1.00 64.25 C ATOM 1505 CG LYS A 94 -4.960 8.961 -8.697 1.00 1.42 C ATOM 1506 CD LYS A 94 -4.964 10.469 -8.884 1.00 14.45 C ATOM 1507 CE LYS A 94 -4.426 11.185 -7.654 1.00 32.10 C ATOM 1508 NZ LYS A 94 -5.520 11.620 -6.742 1.00 52.44 N ATOM 0 H LYS A 94 -1.474 7.116 -9.163 1.00 20.42 H new ATOM 0 HA LYS A 94 -3.891 6.506 -7.863 1.00 54.14 H new ATOM 0 HB2 LYS A 94 -2.927 8.770 -8.064 1.00 64.25 H new ATOM 0 HB3 LYS A 94 -3.144 8.732 -9.803 1.00 64.25 H new ATOM 0 HG2 LYS A 94 -5.631 8.502 -9.422 1.00 1.42 H new ATOM 0 HG3 LYS A 94 -5.344 8.715 -7.707 1.00 1.42 H new ATOM 0 HD2 LYS A 94 -4.359 10.731 -9.752 1.00 14.45 H new ATOM 0 HD3 LYS A 94 -5.979 10.809 -9.089 1.00 14.45 H new ATOM 0 HE2 LYS A 94 -3.747 10.523 -7.117 1.00 32.10 H new ATOM 0 HE3 LYS A 94 -3.845 12.054 -7.964 1.00 32.10 H new ATOM 0 HZ1 LYS A 94 -5.112 12.104 -5.917 1.00 52.44 H new ATOM 0 HZ2 LYS A 94 -6.154 12.272 -7.247 1.00 52.44 H new ATOM 0 HZ3 LYS A 94 -6.059 10.789 -6.425 1.00 52.44 H new ATOM 1522 N GLU A 95 -3.949 6.317 -11.158 1.00 55.14 N ATOM 1523 CA GLU A 95 -4.717 5.809 -12.289 1.00 54.21 C ATOM 1524 C GLU A 95 -4.885 4.295 -12.197 1.00 11.23 C ATOM 1525 O GLU A 95 -5.924 3.751 -12.570 1.00 75.11 O ATOM 1526 CB GLU A 95 -4.032 6.178 -13.606 1.00 71.15 C ATOM 1527 CG GLU A 95 -4.125 7.655 -13.948 1.00 51.52 C ATOM 1528 CD GLU A 95 -5.178 7.946 -15.001 1.00 25.24 C ATOM 1529 OE1 GLU A 95 -6.371 7.697 -14.730 1.00 30.24 O ATOM 1530 OE2 GLU A 95 -4.808 8.421 -16.095 1.00 12.25 O ATOM 0 H GLU A 95 -3.029 6.683 -11.403 1.00 55.14 H new ATOM 0 HA GLU A 95 -5.705 6.269 -12.260 1.00 54.21 H new ATOM 0 HB2 GLU A 95 -2.982 5.892 -13.552 1.00 71.15 H new ATOM 0 HB3 GLU A 95 -4.479 5.598 -14.413 1.00 71.15 H new ATOM 0 HG2 GLU A 95 -4.355 8.219 -13.044 1.00 51.52 H new ATOM 0 HG3 GLU A 95 -3.155 8.003 -14.303 1.00 51.52 H new ATOM 1537 N TYR A 96 -3.855 3.621 -11.697 1.00 50.44 N ATOM 1538 CA TYR A 96 -3.886 2.170 -11.558 1.00 50.34 C ATOM 1539 C TYR A 96 -5.074 1.730 -10.709 1.00 21.34 C ATOM 1540 O TYR A 96 -5.902 0.930 -11.146 1.00 62.32 O ATOM 1541 CB TYR A 96 -2.583 1.669 -10.933 1.00 33.01 C ATOM 1542 CG TYR A 96 -2.471 0.162 -10.893 1.00 74.43 C ATOM 1543 CD1 TYR A 96 -3.160 -0.581 -9.942 1.00 55.20 C ATOM 1544 CD2 TYR A 96 -1.676 -0.520 -11.806 1.00 72.10 C ATOM 1545 CE1 TYR A 96 -3.061 -1.958 -9.901 1.00 61.14 C ATOM 1546 CE2 TYR A 96 -1.572 -1.897 -11.774 1.00 21.12 C ATOM 1547 CZ TYR A 96 -2.266 -2.612 -10.820 1.00 2.43 C ATOM 1548 OH TYR A 96 -2.163 -3.983 -10.783 1.00 73.44 O ATOM 0 H TYR A 96 -2.988 4.056 -11.381 1.00 50.44 H new ATOM 0 HA TYR A 96 -3.994 1.737 -12.552 1.00 50.34 H new ATOM 0 HB2 TYR A 96 -1.741 2.073 -11.496 1.00 33.01 H new ATOM 0 HB3 TYR A 96 -2.504 2.058 -9.918 1.00 33.01 H new ATOM 0 HD1 TYR A 96 -3.784 -0.073 -9.222 1.00 55.20 H new ATOM 0 HD2 TYR A 96 -1.130 0.036 -12.554 1.00 72.10 H new ATOM 0 HE1 TYR A 96 -3.603 -2.520 -9.154 1.00 61.14 H new ATOM 0 HE2 TYR A 96 -0.951 -2.411 -12.492 1.00 21.12 H new ATOM 0 HH TYR A 96 -1.565 -4.286 -11.498 1.00 73.44 H new ATOM 1558 N CYS A 97 -5.151 2.258 -9.492 1.00 63.12 N ATOM 1559 CA CYS A 97 -6.237 1.920 -8.579 1.00 41.01 C ATOM 1560 C CYS A 97 -7.588 2.293 -9.180 1.00 73.53 C ATOM 1561 O CYS A 97 -8.585 1.602 -8.967 1.00 50.35 O ATOM 1562 CB CYS A 97 -6.046 2.634 -7.240 1.00 53.43 C ATOM 1563 SG CYS A 97 -4.458 2.299 -6.445 1.00 3.45 S ATOM 0 H CYS A 97 -4.474 2.922 -9.115 1.00 63.12 H new ATOM 0 HA CYS A 97 -6.218 0.843 -8.414 1.00 41.01 H new ATOM 0 HB2 CYS A 97 -6.142 3.708 -7.396 1.00 53.43 H new ATOM 0 HB3 CYS A 97 -6.848 2.337 -6.564 1.00 53.43 H new ATOM 0 HG CYS A 97 -3.511 2.908 -7.094 1.00 3.45 H new ATOM 1569 N SER A 98 -7.614 3.389 -9.931 1.00 12.33 N ATOM 1570 CA SER A 98 -8.844 3.857 -10.558 1.00 54.14 C ATOM 1571 C SER A 98 -9.165 3.036 -11.804 1.00 34.15 C ATOM 1572 O SER A 98 -10.271 3.107 -12.341 1.00 22.10 O ATOM 1573 CB SER A 98 -8.723 5.337 -10.927 1.00 11.01 C ATOM 1574 OG SER A 98 -9.997 5.907 -11.173 1.00 2.53 O ATOM 0 H SER A 98 -6.797 3.970 -10.120 1.00 12.33 H new ATOM 0 HA SER A 98 -9.657 3.733 -9.842 1.00 54.14 H new ATOM 0 HB2 SER A 98 -8.229 5.877 -10.119 1.00 11.01 H new ATOM 0 HB3 SER A 98 -8.096 5.444 -11.812 1.00 11.01 H new ATOM 0 HG SER A 98 -10.575 5.242 -11.602 1.00 2.53 H new ATOM 1580 N LYS A 99 -8.190 2.256 -12.258 1.00 32.04 N ATOM 1581 CA LYS A 99 -8.366 1.419 -13.438 1.00 53.05 C ATOM 1582 C LYS A 99 -9.454 0.375 -13.208 1.00 72.10 C ATOM 1583 O LYS A 99 -10.027 -0.157 -14.158 1.00 70.02 O ATOM 1584 CB LYS A 99 -7.050 0.728 -13.800 1.00 63.10 C ATOM 1585 CG LYS A 99 -7.046 0.115 -15.190 1.00 10.12 C ATOM 1586 CD LYS A 99 -5.688 -0.471 -15.537 1.00 60.50 C ATOM 1587 CE LYS A 99 -5.348 -1.656 -14.646 1.00 33.32 C ATOM 1588 NZ LYS A 99 -4.797 -2.798 -15.427 1.00 43.21 N ATOM 0 H LYS A 99 -7.269 2.186 -11.826 1.00 32.04 H new ATOM 0 HA LYS A 99 -8.672 2.061 -14.265 1.00 53.05 H new ATOM 0 HB2 LYS A 99 -6.238 1.452 -13.729 1.00 63.10 H new ATOM 0 HB3 LYS A 99 -6.846 -0.053 -13.067 1.00 63.10 H new ATOM 0 HG2 LYS A 99 -7.805 -0.665 -15.247 1.00 10.12 H new ATOM 0 HG3 LYS A 99 -7.314 0.875 -15.924 1.00 10.12 H new ATOM 0 HD2 LYS A 99 -5.682 -0.786 -16.581 1.00 60.50 H new ATOM 0 HD3 LYS A 99 -4.922 0.297 -15.431 1.00 60.50 H new ATOM 0 HE2 LYS A 99 -4.623 -1.348 -13.893 1.00 33.32 H new ATOM 0 HE3 LYS A 99 -6.243 -1.978 -14.114 1.00 33.32 H new ATOM 0 HZ1 LYS A 99 -4.578 -3.585 -14.784 1.00 43.21 H new ATOM 0 HZ2 LYS A 99 -5.499 -3.109 -16.129 1.00 43.21 H new ATOM 0 HZ3 LYS A 99 -3.929 -2.498 -15.915 1.00 43.21 H new ATOM 1602 N GLU A 100 -9.734 0.088 -11.940 1.00 50.14 N ATOM 1603 CA GLU A 100 -10.754 -0.892 -11.587 1.00 31.10 C ATOM 1604 C GLU A 100 -12.153 -0.340 -11.848 1.00 64.21 C ATOM 1605 O GLU A 100 -13.123 -1.092 -11.933 1.00 23.02 O ATOM 1606 CB GLU A 100 -10.619 -1.294 -10.117 1.00 21.31 C ATOM 1607 CG GLU A 100 -9.246 -1.837 -9.758 1.00 44.41 C ATOM 1608 CD GLU A 100 -8.957 -1.758 -8.271 1.00 54.34 C ATOM 1609 OE1 GLU A 100 -9.775 -2.272 -7.480 1.00 1.31 O ATOM 1610 OE2 GLU A 100 -7.913 -1.182 -7.900 1.00 13.40 O ATOM 0 H GLU A 100 -9.269 0.520 -11.141 1.00 50.14 H new ATOM 0 HA GLU A 100 -10.607 -1.773 -12.212 1.00 31.10 H new ATOM 0 HB2 GLU A 100 -10.833 -0.428 -9.491 1.00 21.31 H new ATOM 0 HB3 GLU A 100 -11.371 -2.048 -9.885 1.00 21.31 H new ATOM 0 HG2 GLU A 100 -9.173 -2.875 -10.084 1.00 44.41 H new ATOM 0 HG3 GLU A 100 -8.485 -1.278 -10.302 1.00 44.41 H new ATOM 1617 N GLY A 101 -12.248 0.980 -11.974 1.00 44.12 N ATOM 1618 CA GLY A 101 -13.530 1.611 -12.223 1.00 54.14 C ATOM 1619 C GLY A 101 -14.318 1.846 -10.950 1.00 34.41 C ATOM 1620 O GLY A 101 -15.385 2.457 -10.976 1.00 55.12 O ATOM 0 H GLY A 101 -11.459 1.624 -11.908 1.00 44.12 H new ATOM 0 HA2 GLY A 101 -13.370 2.563 -12.729 1.00 54.14 H new ATOM 0 HA3 GLY A 101 -14.114 0.986 -12.898 1.00 54.14 H new ATOM 1624 N ASN A 102 -13.792 1.356 -9.832 1.00 11.53 N ATOM 1625 CA ASN A 102 -14.455 1.514 -8.542 1.00 50.23 C ATOM 1626 C ASN A 102 -13.464 1.960 -7.472 1.00 5.12 C ATOM 1627 O ASN A 102 -12.412 1.345 -7.289 1.00 32.13 O ATOM 1628 CB ASN A 102 -15.119 0.201 -8.123 1.00 12.22 C ATOM 1629 CG ASN A 102 -16.549 0.399 -7.658 1.00 0.22 C ATOM 1630 OD1 ASN A 102 -17.242 1.307 -8.116 1.00 55.24 O ATOM 1631 ND2 ASN A 102 -16.996 -0.452 -6.742 1.00 75.22 N ATOM 0 H ASN A 102 -12.909 0.847 -9.793 1.00 11.53 H new ATOM 0 HA ASN A 102 -15.220 2.283 -8.646 1.00 50.23 H new ATOM 0 HB2 ASN A 102 -15.106 -0.494 -8.963 1.00 12.22 H new ATOM 0 HB3 ASN A 102 -14.539 -0.257 -7.321 1.00 12.22 H new ATOM 0 HD21 ASN A 102 -17.950 -0.368 -6.390 1.00 75.22 H new ATOM 0 HD22 ASN A 102 -16.386 -1.190 -6.391 1.00 75.22 H new ATOM 1638 N LEU A 103 -13.805 3.033 -6.767 1.00 74.00 N ATOM 1639 CA LEU A 103 -12.946 3.562 -5.713 1.00 71.05 C ATOM 1640 C LEU A 103 -13.455 3.148 -4.336 1.00 61.45 C ATOM 1641 O LEU A 103 -14.638 3.298 -4.029 1.00 11.22 O ATOM 1642 CB LEU A 103 -12.873 5.087 -5.805 1.00 53.22 C ATOM 1643 CG LEU A 103 -11.501 5.675 -6.136 1.00 20.03 C ATOM 1644 CD1 LEU A 103 -10.553 5.513 -4.958 1.00 20.33 C ATOM 1645 CD2 LEU A 103 -10.925 5.017 -7.381 1.00 23.11 C ATOM 0 H LEU A 103 -14.671 3.554 -6.906 1.00 74.00 H new ATOM 0 HA LEU A 103 -11.947 3.147 -5.850 1.00 71.05 H new ATOM 0 HB2 LEU A 103 -13.581 5.419 -6.564 1.00 53.22 H new ATOM 0 HB3 LEU A 103 -13.205 5.505 -4.855 1.00 53.22 H new ATOM 0 HG LEU A 103 -11.622 6.740 -6.335 1.00 20.03 H new ATOM 0 HD11 LEU A 103 -9.582 5.937 -5.212 1.00 20.33 H new ATOM 0 HD12 LEU A 103 -10.960 6.031 -4.090 1.00 20.33 H new ATOM 0 HD13 LEU A 103 -10.437 4.454 -4.727 1.00 20.33 H new ATOM 0 HD21 LEU A 103 -9.948 5.448 -7.602 1.00 23.11 H new ATOM 0 HD22 LEU A 103 -10.819 3.946 -7.210 1.00 23.11 H new ATOM 0 HD23 LEU A 103 -11.595 5.185 -8.224 1.00 23.11 H new ATOM 1657 N LEU A 104 -12.554 2.627 -3.511 1.00 2.34 N ATOM 1658 CA LEU A 104 -12.911 2.193 -2.164 1.00 45.14 C ATOM 1659 C LEU A 104 -12.533 3.252 -1.133 1.00 33.40 C ATOM 1660 O LEU A 104 -13.176 3.374 -0.091 1.00 33.42 O ATOM 1661 CB LEU A 104 -12.216 0.871 -1.833 1.00 1.22 C ATOM 1662 CG LEU A 104 -12.577 0.242 -0.487 1.00 12.34 C ATOM 1663 CD1 LEU A 104 -14.034 -0.193 -0.475 1.00 32.23 C ATOM 1664 CD2 LEU A 104 -11.664 -0.937 -0.187 1.00 24.14 C ATOM 0 H LEU A 104 -11.571 2.495 -3.750 1.00 2.34 H new ATOM 0 HA LEU A 104 -13.991 2.048 -2.129 1.00 45.14 H new ATOM 0 HB2 LEU A 104 -12.449 0.154 -2.620 1.00 1.22 H new ATOM 0 HB3 LEU A 104 -11.139 1.034 -1.858 1.00 1.22 H new ATOM 0 HG LEU A 104 -12.436 0.992 0.292 1.00 12.34 H new ATOM 0 HD11 LEU A 104 -14.273 -0.638 0.491 1.00 32.23 H new ATOM 0 HD12 LEU A 104 -14.674 0.673 -0.643 1.00 32.23 H new ATOM 0 HD13 LEU A 104 -14.201 -0.926 -1.264 1.00 32.23 H new ATOM 0 HD21 LEU A 104 -11.936 -1.372 0.775 1.00 24.14 H new ATOM 0 HD22 LEU A 104 -11.772 -1.689 -0.969 1.00 24.14 H new ATOM 0 HD23 LEU A 104 -10.629 -0.596 -0.152 1.00 24.14 H new ATOM 1676 N MET A 105 -11.488 4.016 -1.432 1.00 71.03 N ATOM 1677 CA MET A 105 -11.028 5.067 -0.532 1.00 63.11 C ATOM 1678 C MET A 105 -10.177 6.089 -1.280 1.00 22.35 C ATOM 1679 O MET A 105 -9.326 5.726 -2.091 1.00 74.34 O ATOM 1680 CB MET A 105 -10.225 4.464 0.622 1.00 22.21 C ATOM 1681 CG MET A 105 -9.295 5.457 1.300 1.00 51.20 C ATOM 1682 SD MET A 105 -9.162 5.183 3.077 1.00 32.11 S ATOM 1683 CE MET A 105 -7.688 4.169 3.154 1.00 63.02 C ATOM 0 H MET A 105 -10.944 3.927 -2.290 1.00 71.03 H new ATOM 0 HA MET A 105 -11.904 5.575 -0.129 1.00 63.11 H new ATOM 0 HB2 MET A 105 -10.916 4.061 1.363 1.00 22.21 H new ATOM 0 HB3 MET A 105 -9.637 3.627 0.246 1.00 22.21 H new ATOM 0 HG2 MET A 105 -8.305 5.386 0.850 1.00 51.20 H new ATOM 0 HG3 MET A 105 -9.656 6.469 1.118 1.00 51.20 H new ATOM 0 HE1 MET A 105 -7.292 4.180 4.169 1.00 63.02 H new ATOM 0 HE2 MET A 105 -7.935 3.146 2.872 1.00 63.02 H new ATOM 0 HE3 MET A 105 -6.939 4.564 2.468 1.00 63.02 H new ATOM 1693 N GLU A 106 -10.413 7.367 -1.000 1.00 25.23 N ATOM 1694 CA GLU A 106 -9.667 8.440 -1.647 1.00 75.15 C ATOM 1695 C GLU A 106 -9.194 9.468 -0.624 1.00 64.11 C ATOM 1696 O GLU A 106 -9.984 10.264 -0.117 1.00 12.42 O ATOM 1697 CB GLU A 106 -10.532 9.122 -2.709 1.00 52.44 C ATOM 1698 CG GLU A 106 -9.744 9.615 -3.911 1.00 52.43 C ATOM 1699 CD GLU A 106 -10.222 10.966 -4.408 1.00 4.33 C ATOM 1700 OE1 GLU A 106 -11.388 11.320 -4.138 1.00 33.24 O ATOM 1701 OE2 GLU A 106 -9.427 11.670 -5.066 1.00 55.24 O ATOM 0 H GLU A 106 -11.114 7.684 -0.330 1.00 25.23 H new ATOM 0 HA GLU A 106 -8.792 8.002 -2.127 1.00 75.15 H new ATOM 0 HB2 GLU A 106 -11.296 8.422 -3.048 1.00 52.44 H new ATOM 0 HB3 GLU A 106 -11.052 9.966 -2.255 1.00 52.44 H new ATOM 0 HG2 GLU A 106 -8.689 9.682 -3.646 1.00 52.43 H new ATOM 0 HG3 GLU A 106 -9.825 8.886 -4.717 1.00 52.43 H new ATOM 1708 N CYS A 107 -7.899 9.443 -0.326 1.00 15.44 N ATOM 1709 CA CYS A 107 -7.319 10.372 0.638 1.00 34.12 C ATOM 1710 C CYS A 107 -5.843 10.613 0.340 1.00 12.30 C ATOM 1711 O CYS A 107 -5.280 10.021 -0.580 1.00 12.13 O ATOM 1712 CB CYS A 107 -7.483 9.832 2.060 1.00 54.32 C ATOM 1713 SG CYS A 107 -9.055 10.270 2.839 1.00 74.14 S ATOM 0 H CYS A 107 -7.232 8.790 -0.737 1.00 15.44 H new ATOM 0 HA CYS A 107 -7.848 11.321 0.554 1.00 34.12 H new ATOM 0 HB2 CYS A 107 -7.391 8.746 2.038 1.00 54.32 H new ATOM 0 HB3 CYS A 107 -6.667 10.209 2.677 1.00 54.32 H new ATOM 0 HG CYS A 107 -9.985 10.337 1.933 1.00 74.14 H new ATOM 1719 N GLY A 108 -5.222 11.489 1.124 1.00 42.30 N ATOM 1720 CA GLY A 108 -3.817 11.795 0.927 1.00 40.23 C ATOM 1721 C GLY A 108 -3.583 12.702 -0.265 1.00 61.13 C ATOM 1722 O GLY A 108 -4.532 13.174 -0.890 1.00 60.14 O ATOM 0 H GLY A 108 -5.667 11.992 1.892 1.00 42.30 H new ATOM 0 HA2 GLY A 108 -3.423 12.271 1.825 1.00 40.23 H new ATOM 0 HA3 GLY A 108 -3.262 10.867 0.788 1.00 40.23 H new ATOM 1726 N ALA A 109 -2.315 12.947 -0.580 1.00 53.23 N ATOM 1727 CA ALA A 109 -1.960 13.803 -1.705 1.00 45.13 C ATOM 1728 C ALA A 109 -1.351 12.990 -2.843 1.00 34.11 C ATOM 1729 O ALA A 109 -0.879 11.869 -2.653 1.00 75.45 O ATOM 1730 CB ALA A 109 -0.995 14.891 -1.257 1.00 25.54 C ATOM 0 H ALA A 109 -1.517 12.565 -0.072 1.00 53.23 H new ATOM 0 HA ALA A 109 -2.872 14.271 -2.075 1.00 45.13 H new ATOM 0 HB1 ALA A 109 -0.739 15.523 -2.108 1.00 25.54 H new ATOM 0 HB2 ALA A 109 -1.465 15.498 -0.483 1.00 25.54 H new ATOM 0 HB3 ALA A 109 -0.089 14.433 -0.859 1.00 25.54 H new ATOM 1736 N PRO A 110 -1.362 13.566 -4.054 1.00 71.54 N ATOM 1737 CA PRO A 110 -0.815 12.911 -5.247 1.00 13.14 C ATOM 1738 C PRO A 110 0.705 12.804 -5.203 1.00 61.31 C ATOM 1739 O PRO A 110 1.410 13.562 -5.869 1.00 53.24 O ATOM 1740 CB PRO A 110 -1.254 13.831 -6.389 1.00 21.12 C ATOM 1741 CG PRO A 110 -1.429 15.167 -5.753 1.00 60.13 C ATOM 1742 CD PRO A 110 -1.908 14.900 -4.353 1.00 74.14 C ATOM 0 HA PRO A 110 -1.169 11.885 -5.348 1.00 13.14 H new ATOM 0 HB2 PRO A 110 -0.505 13.864 -7.181 1.00 21.12 H new ATOM 0 HB3 PRO A 110 -2.182 13.484 -6.843 1.00 21.12 H new ATOM 0 HG2 PRO A 110 -0.491 15.721 -5.745 1.00 60.13 H new ATOM 0 HG3 PRO A 110 -2.151 15.770 -6.304 1.00 60.13 H new ATOM 0 HD2 PRO A 110 -1.541 15.650 -3.653 1.00 74.14 H new ATOM 0 HD3 PRO A 110 -2.996 14.912 -4.292 1.00 74.14 H new ATOM 1750 N ARG A 111 1.205 11.857 -4.415 1.00 54.03 N ATOM 1751 CA ARG A 111 2.642 11.651 -4.285 1.00 10.42 C ATOM 1752 C ARG A 111 3.186 10.852 -5.465 1.00 42.11 C ATOM 1753 O ARG A 111 2.596 9.853 -5.876 1.00 22.12 O ATOM 1754 CB ARG A 111 2.958 10.927 -2.975 1.00 62.32 C ATOM 1755 CG ARG A 111 3.933 11.678 -2.084 1.00 25.24 C ATOM 1756 CD ARG A 111 3.412 13.061 -1.729 1.00 12.51 C ATOM 1757 NE ARG A 111 4.135 14.116 -2.434 1.00 1.41 N ATOM 1758 CZ ARG A 111 5.360 14.513 -2.106 1.00 72.04 C ATOM 1759 NH1 ARG A 111 5.995 13.945 -1.090 1.00 73.15 N ATOM 1760 NH2 ARG A 111 5.952 15.479 -2.796 1.00 42.41 N ATOM 0 H ARG A 111 0.636 11.221 -3.857 1.00 54.03 H new ATOM 0 HA ARG A 111 3.125 12.628 -4.278 1.00 10.42 H new ATOM 0 HB2 ARG A 111 2.030 10.764 -2.427 1.00 62.32 H new ATOM 0 HB3 ARG A 111 3.371 9.944 -3.203 1.00 62.32 H new ATOM 0 HG2 ARG A 111 4.106 11.108 -1.171 1.00 25.24 H new ATOM 0 HG3 ARG A 111 4.894 11.769 -2.590 1.00 25.24 H new ATOM 0 HD2 ARG A 111 2.352 13.123 -1.974 1.00 12.51 H new ATOM 0 HD3 ARG A 111 3.501 13.217 -0.654 1.00 12.51 H new ATOM 0 HE ARG A 111 3.675 14.573 -3.221 1.00 1.41 H new ATOM 0 HH11 ARG A 111 5.543 13.201 -0.558 1.00 73.15 H new ATOM 0 HH12 ARG A 111 6.935 14.252 -0.841 1.00 73.15 H new ATOM 0 HH21 ARG A 111 5.467 15.917 -3.579 1.00 42.41 H new ATOM 0 HH22 ARG A 111 6.892 15.783 -2.544 1.00 42.41 H new ATOM 1774 N SER A 112 4.315 11.300 -6.006 1.00 73.24 N ATOM 1775 CA SER A 112 4.936 10.629 -7.142 1.00 43.12 C ATOM 1776 C SER A 112 6.239 9.952 -6.727 1.00 33.42 C ATOM 1777 O SER A 112 6.548 9.854 -5.540 1.00 0.13 O ATOM 1778 CB SER A 112 5.205 11.630 -8.268 1.00 22.23 C ATOM 1779 OG SER A 112 5.416 10.965 -9.501 1.00 42.34 O ATOM 0 H SER A 112 4.818 12.124 -5.676 1.00 73.24 H new ATOM 0 HA SER A 112 4.247 9.864 -7.502 1.00 43.12 H new ATOM 0 HB2 SER A 112 4.362 12.314 -8.360 1.00 22.23 H new ATOM 0 HB3 SER A 112 6.079 12.233 -8.022 1.00 22.23 H new ATOM 0 HG SER A 112 5.584 11.626 -10.205 1.00 42.34 H new ATOM 1785 N GLN A 113 6.997 9.486 -7.714 1.00 31.40 N ATOM 1786 CA GLN A 113 8.266 8.816 -7.451 1.00 54.55 C ATOM 1787 C GLN A 113 9.357 9.829 -7.122 1.00 2.21 C ATOM 1788 O GLN A 113 9.373 10.937 -7.657 1.00 73.35 O ATOM 1789 CB GLN A 113 8.682 7.975 -8.659 1.00 71.11 C ATOM 1790 CG GLN A 113 8.787 6.489 -8.358 1.00 21.32 C ATOM 1791 CD GLN A 113 8.932 5.648 -9.611 1.00 34.11 C ATOM 1792 OE1 GLN A 113 8.648 6.108 -10.717 1.00 74.02 O ATOM 1793 NE2 GLN A 113 9.375 4.408 -9.444 1.00 64.41 N ATOM 0 H GLN A 113 6.755 9.560 -8.702 1.00 31.40 H new ATOM 0 HA GLN A 113 8.132 8.161 -6.590 1.00 54.55 H new ATOM 0 HB2 GLN A 113 7.960 8.125 -9.462 1.00 71.11 H new ATOM 0 HB3 GLN A 113 9.644 8.332 -9.026 1.00 71.11 H new ATOM 0 HG2 GLN A 113 9.643 6.314 -7.707 1.00 21.32 H new ATOM 0 HG3 GLN A 113 7.900 6.169 -7.811 1.00 21.32 H new ATOM 0 HE21 GLN A 113 9.598 4.068 -8.509 1.00 64.41 H new ATOM 0 HE22 GLN A 113 9.492 3.795 -10.251 1.00 64.41 H new ATOM 1802 N GLY A 114 10.270 9.442 -6.236 1.00 34.53 N ATOM 1803 CA GLY A 114 11.352 10.328 -5.850 1.00 21.55 C ATOM 1804 C GLY A 114 12.466 10.364 -6.877 1.00 52.41 C ATOM 1805 O GLY A 114 12.591 9.456 -7.697 1.00 65.44 O ATOM 0 H GLY A 114 10.279 8.530 -5.779 1.00 34.53 H new ATOM 0 HA2 GLY A 114 10.960 11.335 -5.708 1.00 21.55 H new ATOM 0 HA3 GLY A 114 11.757 10.006 -4.891 1.00 21.55 H new ATOM 1809 N GLN A 115 13.274 11.418 -6.834 1.00 5.24 N ATOM 1810 CA GLN A 115 14.382 11.570 -7.770 1.00 54.22 C ATOM 1811 C GLN A 115 15.697 11.785 -7.028 1.00 53.04 C ATOM 1812 O GLN A 115 15.725 12.395 -5.959 1.00 60.23 O ATOM 1813 CB GLN A 115 14.119 12.743 -8.717 1.00 71.40 C ATOM 1814 CG GLN A 115 15.315 13.105 -9.583 1.00 12.12 C ATOM 1815 CD GLN A 115 14.919 13.852 -10.841 1.00 61.45 C ATOM 1816 OE1 GLN A 115 13.985 13.460 -11.541 1.00 54.34 O ATOM 1817 NE2 GLN A 115 15.630 14.934 -11.136 1.00 72.13 N ATOM 0 H GLN A 115 13.182 12.179 -6.161 1.00 5.24 H new ATOM 0 HA GLN A 115 14.461 10.652 -8.352 1.00 54.22 H new ATOM 0 HB2 GLN A 115 13.275 12.497 -9.362 1.00 71.40 H new ATOM 0 HB3 GLN A 115 13.828 13.615 -8.131 1.00 71.40 H new ATOM 0 HG2 GLN A 115 16.006 13.717 -9.004 1.00 12.12 H new ATOM 0 HG3 GLN A 115 15.849 12.195 -9.858 1.00 12.12 H new ATOM 0 HE21 GLN A 115 16.396 15.223 -10.527 1.00 72.13 H new ATOM 0 HE22 GLN A 115 15.410 15.477 -11.971 1.00 72.13 H new ATOM 1826 N ARG A 116 16.784 11.280 -7.603 1.00 34.24 N ATOM 1827 CA ARG A 116 18.102 11.415 -6.995 1.00 12.22 C ATOM 1828 C ARG A 116 19.186 10.871 -7.920 1.00 72.43 C ATOM 1829 O ARG A 116 19.449 11.434 -8.983 1.00 10.02 O ATOM 1830 CB ARG A 116 18.146 10.682 -5.653 1.00 70.41 C ATOM 1831 CG ARG A 116 17.525 9.295 -5.696 1.00 54.22 C ATOM 1832 CD ARG A 116 18.321 8.302 -4.865 1.00 31.32 C ATOM 1833 NE ARG A 116 17.594 7.051 -4.662 1.00 2.21 N ATOM 1834 CZ ARG A 116 18.022 6.072 -3.873 1.00 4.22 C ATOM 1835 NH1 ARG A 116 19.167 6.198 -3.216 1.00 11.44 N ATOM 1836 NH2 ARG A 116 17.305 4.964 -3.739 1.00 53.15 N ATOM 0 H ARG A 116 16.778 10.774 -8.489 1.00 34.24 H new ATOM 0 HA ARG A 116 18.290 12.476 -6.828 1.00 12.22 H new ATOM 0 HB2 ARG A 116 19.183 10.597 -5.329 1.00 70.41 H new ATOM 0 HB3 ARG A 116 17.627 11.280 -4.905 1.00 70.41 H new ATOM 0 HG2 ARG A 116 16.501 9.342 -5.326 1.00 54.22 H new ATOM 0 HG3 ARG A 116 17.475 8.949 -6.729 1.00 54.22 H new ATOM 0 HD2 ARG A 116 19.270 8.094 -5.360 1.00 31.32 H new ATOM 0 HD3 ARG A 116 18.556 8.746 -3.898 1.00 31.32 H new ATOM 0 HE ARG A 116 16.709 6.922 -5.153 1.00 2.21 H new ATOM 0 HH11 ARG A 116 19.721 7.048 -3.316 1.00 11.44 H new ATOM 0 HH12 ARG A 116 19.493 5.445 -2.611 1.00 11.44 H new ATOM 0 HH21 ARG A 116 16.424 4.863 -4.242 1.00 53.15 H new ATOM 0 HH22 ARG A 116 17.635 4.213 -3.133 1.00 53.15 H new TER 1850 ARG A 116