USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 713 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 150 TYR OH : rot 15:sc= -0.0581 USER MOD Set 1.2: A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 122 CYS SG : rot 180:sc= -2.53! USER MOD Set 2.2: A 127 MET CE :methyl -124:sc= -2.51 (180deg=-9!) USER MOD Set 3.1: A 98 SER OG : rot 133:sc= 0.351 USER MOD Set 3.2: A 118 MET CE :methyl -128:sc=-0.000811 (180deg=0) USER MOD Set 3.3: A 138 THR OG1 : rot -170:sc= 0 USER MOD Set 3.4: A 165 HIS : no HD1:sc= -1.19 K(o=-0.84,f=-1.7) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.358 K(o=-0.36,f=-2.2!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= -0.959 K(o=-0.96,f=-5.9!) USER MOD Single : A 125 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 THR OG1 : rot -149:sc= -0.102 USER MOD Single : A 140 THR OG1 : rot 64:sc= 0.726 USER MOD Single : A 141 HIS : no HE2:sc= -0.315 X(o=-0.32,f=-0.61) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 ASN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 147 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 149 CYS SG : rot 96:sc= 0.868 USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 THR OG1 : rot 59:sc= 1.2 USER MOD Single : A 171 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 178 THR OG1 : rot 180:sc= -0.0441 USER MOD Single : A 179 GLN : amide:sc= -0.562 K(o=-0.56,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 86 20.917 18.058 -0.893 1.00 30.55 N ATOM 2 CA GLY A 86 20.143 17.313 -1.868 1.00 52.13 C ATOM 3 C GLY A 86 20.861 16.070 -2.352 1.00 75.25 C ATOM 4 O GLY A 86 21.925 15.706 -1.850 1.00 11.22 O ATOM 0 HA2 GLY A 86 19.187 17.028 -1.428 1.00 52.13 H new ATOM 0 HA3 GLY A 86 19.922 17.956 -2.720 1.00 52.13 H new ATOM 8 N PRO A 87 20.274 15.393 -3.351 1.00 74.32 N ATOM 9 CA PRO A 87 20.848 14.172 -3.925 1.00 14.15 C ATOM 10 C PRO A 87 22.115 14.447 -4.725 1.00 65.00 C ATOM 11 O PRO A 87 22.309 15.549 -5.242 1.00 61.32 O ATOM 12 CB PRO A 87 19.737 13.655 -4.842 1.00 50.34 C ATOM 13 CG PRO A 87 18.947 14.868 -5.199 1.00 63.35 C ATOM 14 CD PRO A 87 19.006 15.769 -3.998 1.00 22.12 C ATOM 0 HA PRO A 87 21.148 13.462 -3.155 1.00 14.15 H new ATOM 0 HB2 PRO A 87 20.148 13.174 -5.730 1.00 50.34 H new ATOM 0 HB3 PRO A 87 19.118 12.914 -4.336 1.00 50.34 H new ATOM 0 HG2 PRO A 87 19.364 15.361 -6.077 1.00 63.35 H new ATOM 0 HG3 PRO A 87 17.917 14.606 -5.440 1.00 63.35 H new ATOM 0 HD2 PRO A 87 18.997 16.821 -4.284 1.00 22.12 H new ATOM 0 HD3 PRO A 87 18.155 15.612 -3.336 1.00 22.12 H new ATOM 22 N LEU A 88 22.977 13.441 -4.824 1.00 3.14 N ATOM 23 CA LEU A 88 24.227 13.575 -5.563 1.00 45.14 C ATOM 24 C LEU A 88 24.471 12.356 -6.448 1.00 1.31 C ATOM 25 O LEU A 88 24.085 11.240 -6.103 1.00 25.40 O ATOM 26 CB LEU A 88 25.398 13.758 -4.595 1.00 72.13 C ATOM 27 CG LEU A 88 26.113 15.108 -4.653 1.00 53.31 C ATOM 28 CD1 LEU A 88 26.895 15.244 -5.951 1.00 34.11 C ATOM 29 CD2 LEU A 88 25.113 16.247 -4.510 1.00 54.13 C ATOM 0 H LEU A 88 22.833 12.524 -4.402 1.00 3.14 H new ATOM 0 HA LEU A 88 24.149 14.455 -6.201 1.00 45.14 H new ATOM 0 HB2 LEU A 88 25.031 13.607 -3.580 1.00 72.13 H new ATOM 0 HB3 LEU A 88 26.130 12.974 -4.789 1.00 72.13 H new ATOM 0 HG LEU A 88 26.816 15.160 -3.822 1.00 53.31 H new ATOM 0 HD11 LEU A 88 27.397 16.211 -5.974 1.00 34.11 H new ATOM 0 HD12 LEU A 88 27.637 14.448 -6.014 1.00 34.11 H new ATOM 0 HD13 LEU A 88 26.212 15.170 -6.797 1.00 34.11 H new ATOM 0 HD21 LEU A 88 25.639 17.201 -4.553 1.00 54.13 H new ATOM 0 HD22 LEU A 88 24.386 16.197 -5.320 1.00 54.13 H new ATOM 0 HD23 LEU A 88 24.597 16.160 -3.554 1.00 54.13 H new ATOM 41 N GLY A 89 25.115 12.578 -7.589 1.00 63.02 N ATOM 42 CA GLY A 89 25.401 11.488 -8.504 1.00 54.54 C ATOM 43 C GLY A 89 24.998 11.809 -9.930 1.00 65.25 C ATOM 44 O GLY A 89 25.594 11.300 -10.880 1.00 0.12 O ATOM 0 H GLY A 89 25.444 13.493 -7.897 1.00 63.02 H new ATOM 0 HA2 GLY A 89 26.467 11.261 -8.473 1.00 54.54 H new ATOM 0 HA3 GLY A 89 24.875 10.592 -8.174 1.00 54.54 H new ATOM 48 N SER A 90 23.984 12.653 -10.082 1.00 14.10 N ATOM 49 CA SER A 90 23.498 13.036 -11.403 1.00 3.10 C ATOM 50 C SER A 90 22.962 11.824 -12.157 1.00 14.32 C ATOM 51 O SER A 90 23.163 10.683 -11.742 1.00 4.01 O ATOM 52 CB SER A 90 24.618 13.698 -12.208 1.00 3.41 C ATOM 53 OG SER A 90 24.242 14.997 -12.633 1.00 75.33 O ATOM 0 H SER A 90 23.482 13.086 -9.307 1.00 14.10 H new ATOM 0 HA SER A 90 22.684 13.749 -11.272 1.00 3.10 H new ATOM 0 HB2 SER A 90 25.521 13.758 -11.600 1.00 3.41 H new ATOM 0 HB3 SER A 90 24.859 13.084 -13.076 1.00 3.41 H new ATOM 0 HG SER A 90 24.975 15.399 -13.144 1.00 75.33 H new ATOM 59 N GLU A 91 22.278 12.081 -13.268 1.00 62.24 N ATOM 60 CA GLU A 91 21.712 11.010 -14.080 1.00 75.31 C ATOM 61 C GLU A 91 20.714 10.184 -13.273 1.00 41.44 C ATOM 62 O GLU A 91 20.720 8.955 -13.332 1.00 73.01 O ATOM 63 CB GLU A 91 22.823 10.106 -14.618 1.00 30.24 C ATOM 64 CG GLU A 91 22.390 9.242 -15.791 1.00 44.33 C ATOM 65 CD GLU A 91 23.287 9.412 -17.003 1.00 13.50 C ATOM 66 OE1 GLU A 91 24.511 9.207 -16.868 1.00 23.15 O ATOM 67 OE2 GLU A 91 22.764 9.752 -18.085 1.00 44.31 O ATOM 0 H GLU A 91 22.103 13.020 -13.626 1.00 62.24 H new ATOM 0 HA GLU A 91 21.186 11.465 -14.919 1.00 75.31 H new ATOM 0 HB2 GLU A 91 23.666 10.724 -14.925 1.00 30.24 H new ATOM 0 HB3 GLU A 91 23.177 9.461 -13.814 1.00 30.24 H new ATOM 0 HG2 GLU A 91 22.391 8.195 -15.487 1.00 44.33 H new ATOM 0 HG3 GLU A 91 21.365 9.493 -16.064 1.00 44.33 H new ATOM 74 N ASN A 92 19.860 10.869 -12.519 1.00 43.02 N ATOM 75 CA ASN A 92 18.858 10.199 -11.699 1.00 43.44 C ATOM 76 C ASN A 92 17.682 9.732 -12.551 1.00 61.32 C ATOM 77 O ASN A 92 17.008 10.537 -13.193 1.00 53.05 O ATOM 78 CB ASN A 92 18.362 11.138 -10.597 1.00 31.34 C ATOM 79 CG ASN A 92 17.417 10.447 -9.632 1.00 63.41 C ATOM 80 OD1 ASN A 92 16.339 9.996 -10.017 1.00 12.31 O ATOM 81 ND2 ASN A 92 17.820 10.362 -8.369 1.00 72.24 N ATOM 0 H ASN A 92 19.842 11.887 -12.459 1.00 43.02 H new ATOM 0 HA ASN A 92 19.323 9.325 -11.242 1.00 43.44 H new ATOM 0 HB2 ASN A 92 19.217 11.531 -10.046 1.00 31.34 H new ATOM 0 HB3 ASN A 92 17.856 11.990 -11.050 1.00 31.34 H new ATOM 0 HD21 ASN A 92 17.227 9.908 -7.674 1.00 72.24 H new ATOM 0 HD22 ASN A 92 18.722 10.750 -8.094 1.00 72.24 H new ATOM 88 N ARG A 93 17.442 8.424 -12.552 1.00 4.43 N ATOM 89 CA ARG A 93 16.349 7.849 -13.325 1.00 31.42 C ATOM 90 C ARG A 93 15.801 6.597 -12.644 1.00 1.44 C ATOM 91 O ARG A 93 14.615 6.521 -12.324 1.00 33.04 O ATOM 92 CB ARG A 93 16.821 7.507 -14.739 1.00 41.35 C ATOM 93 CG ARG A 93 16.685 8.659 -15.721 1.00 50.20 C ATOM 94 CD ARG A 93 17.992 8.927 -16.450 1.00 74.01 C ATOM 95 NE ARG A 93 17.859 9.996 -17.437 1.00 61.31 N ATOM 96 CZ ARG A 93 17.774 11.282 -17.120 1.00 12.05 C ATOM 97 NH1 ARG A 93 17.807 11.658 -15.849 1.00 15.42 N ATOM 98 NH2 ARG A 93 17.655 12.196 -18.075 1.00 33.24 N ATOM 0 H ARG A 93 17.990 7.744 -12.026 1.00 4.43 H new ATOM 0 HA ARG A 93 15.551 8.589 -13.384 1.00 31.42 H new ATOM 0 HB2 ARG A 93 17.865 7.196 -14.699 1.00 41.35 H new ATOM 0 HB3 ARG A 93 16.248 6.656 -15.108 1.00 41.35 H new ATOM 0 HG2 ARG A 93 15.903 8.431 -16.445 1.00 50.20 H new ATOM 0 HG3 ARG A 93 16.373 9.558 -15.188 1.00 50.20 H new ATOM 0 HD2 ARG A 93 18.762 9.195 -15.727 1.00 74.01 H new ATOM 0 HD3 ARG A 93 18.324 8.015 -16.946 1.00 74.01 H new ATOM 0 HE ARG A 93 17.830 9.740 -18.424 1.00 61.31 H new ATOM 0 HH11 ARG A 93 17.898 10.958 -15.112 1.00 15.42 H new ATOM 0 HH12 ARG A 93 17.742 12.647 -15.608 1.00 15.42 H new ATOM 0 HH21 ARG A 93 17.629 11.910 -19.054 1.00 33.24 H new ATOM 0 HH22 ARG A 93 17.590 13.184 -17.830 1.00 33.24 H new ATOM 112 N SER A 94 16.674 5.618 -12.426 1.00 73.02 N ATOM 113 CA SER A 94 16.277 4.369 -11.788 1.00 4.14 C ATOM 114 C SER A 94 15.551 4.638 -10.473 1.00 14.15 C ATOM 115 O SER A 94 16.025 5.402 -9.632 1.00 72.20 O ATOM 116 CB SER A 94 17.503 3.489 -11.535 1.00 2.22 C ATOM 117 OG SER A 94 17.234 2.135 -11.855 1.00 51.23 O ATOM 0 H SER A 94 17.660 5.666 -12.682 1.00 73.02 H new ATOM 0 HA SER A 94 15.596 3.847 -12.460 1.00 4.14 H new ATOM 0 HB2 SER A 94 18.341 3.847 -12.132 1.00 2.22 H new ATOM 0 HB3 SER A 94 17.801 3.567 -10.489 1.00 2.22 H new ATOM 0 HG SER A 94 18.033 1.594 -11.686 1.00 51.23 H new ATOM 123 N LYS A 95 14.396 4.003 -10.303 1.00 35.12 N ATOM 124 CA LYS A 95 13.601 4.170 -9.091 1.00 11.50 C ATOM 125 C LYS A 95 12.365 3.279 -9.123 1.00 72.02 C ATOM 126 O LYS A 95 11.584 3.316 -10.074 1.00 73.33 O ATOM 127 CB LYS A 95 13.184 5.634 -8.929 1.00 13.01 C ATOM 128 CG LYS A 95 12.475 6.203 -10.146 1.00 41.12 C ATOM 129 CD LYS A 95 10.996 6.424 -9.878 1.00 41.41 C ATOM 130 CE LYS A 95 10.142 5.962 -11.047 1.00 74.51 C ATOM 131 NZ LYS A 95 9.886 7.061 -12.018 1.00 63.13 N ATOM 0 H LYS A 95 13.989 3.368 -10.989 1.00 35.12 H new ATOM 0 HA LYS A 95 14.216 3.876 -8.240 1.00 11.50 H new ATOM 0 HB2 LYS A 95 12.528 5.723 -8.063 1.00 13.01 H new ATOM 0 HB3 LYS A 95 14.070 6.234 -8.721 1.00 13.01 H new ATOM 0 HG2 LYS A 95 12.939 7.147 -10.430 1.00 41.12 H new ATOM 0 HG3 LYS A 95 12.595 5.523 -10.989 1.00 41.12 H new ATOM 0 HD2 LYS A 95 10.704 5.884 -8.977 1.00 41.41 H new ATOM 0 HD3 LYS A 95 10.814 7.482 -9.689 1.00 41.41 H new ATOM 0 HE2 LYS A 95 10.640 5.137 -11.556 1.00 74.51 H new ATOM 0 HE3 LYS A 95 9.192 5.579 -10.673 1.00 74.51 H new ATOM 0 HZ1 LYS A 95 9.300 6.704 -12.800 1.00 63.13 H new ATOM 0 HZ2 LYS A 95 9.388 7.838 -11.539 1.00 63.13 H new ATOM 0 HZ3 LYS A 95 10.791 7.409 -12.394 1.00 63.13 H new ATOM 145 N THR A 96 12.191 2.477 -8.077 1.00 43.24 N ATOM 146 CA THR A 96 11.050 1.575 -7.986 1.00 13.53 C ATOM 147 C THR A 96 9.870 2.251 -7.296 1.00 35.21 C ATOM 148 O THR A 96 10.051 3.095 -6.417 1.00 73.11 O ATOM 149 CB THR A 96 11.410 0.289 -7.220 1.00 50.13 C ATOM 150 OG1 THR A 96 12.815 0.033 -7.326 1.00 34.13 O ATOM 151 CG2 THR A 96 10.629 -0.900 -7.762 1.00 45.05 C ATOM 0 H THR A 96 12.827 2.434 -7.280 1.00 43.24 H new ATOM 0 HA THR A 96 10.771 1.314 -9.007 1.00 13.53 H new ATOM 0 HB THR A 96 11.145 0.430 -6.172 1.00 50.13 H new ATOM 0 HG1 THR A 96 13.036 -0.786 -6.835 1.00 34.13 H new ATOM 0 HG21 THR A 96 10.900 -1.797 -7.206 1.00 45.05 H new ATOM 0 HG22 THR A 96 9.561 -0.714 -7.653 1.00 45.05 H new ATOM 0 HG23 THR A 96 10.867 -1.041 -8.816 1.00 45.05 H new ATOM 159 N THR A 97 8.660 1.874 -7.698 1.00 54.31 N ATOM 160 CA THR A 97 7.450 2.444 -7.118 1.00 72.22 C ATOM 161 C THR A 97 6.247 1.539 -7.358 1.00 34.33 C ATOM 162 O THR A 97 5.971 1.143 -8.490 1.00 61.13 O ATOM 163 CB THR A 97 7.152 3.839 -7.699 1.00 13.13 C ATOM 164 OG1 THR A 97 7.573 3.900 -9.066 1.00 1.11 O ATOM 165 CG2 THR A 97 7.858 4.922 -6.897 1.00 23.33 C ATOM 0 H THR A 97 8.492 1.176 -8.423 1.00 54.31 H new ATOM 0 HA THR A 97 7.625 2.535 -6.046 1.00 72.22 H new ATOM 0 HB THR A 97 6.077 4.010 -7.642 1.00 13.13 H new ATOM 0 HG1 THR A 97 7.379 4.789 -9.429 1.00 1.11 H new ATOM 0 HG21 THR A 97 7.632 5.898 -7.326 1.00 23.33 H new ATOM 0 HG22 THR A 97 7.514 4.892 -5.863 1.00 23.33 H new ATOM 0 HG23 THR A 97 8.934 4.753 -6.926 1.00 23.33 H new ATOM 173 N SER A 98 5.533 1.215 -6.284 1.00 64.22 N ATOM 174 CA SER A 98 4.360 0.353 -6.377 1.00 60.43 C ATOM 175 C SER A 98 3.078 1.161 -6.206 1.00 60.51 C ATOM 176 O SER A 98 2.835 1.749 -5.151 1.00 61.31 O ATOM 177 CB SER A 98 4.427 -0.750 -5.320 1.00 32.14 C ATOM 178 OG SER A 98 5.477 -1.660 -5.596 1.00 71.44 O ATOM 0 H SER A 98 5.746 1.536 -5.340 1.00 64.22 H new ATOM 0 HA SER A 98 4.352 -0.103 -7.367 1.00 60.43 H new ATOM 0 HB2 SER A 98 4.576 -0.306 -4.336 1.00 32.14 H new ATOM 0 HB3 SER A 98 3.478 -1.285 -5.288 1.00 32.14 H new ATOM 0 HG SER A 98 5.997 -1.817 -4.780 1.00 71.44 H new ATOM 184 N THR A 99 2.257 1.186 -7.252 1.00 63.11 N ATOM 185 CA THR A 99 1.000 1.922 -7.221 1.00 13.23 C ATOM 186 C THR A 99 -0.193 0.974 -7.259 1.00 35.13 C ATOM 187 O THR A 99 -0.054 -0.200 -7.602 1.00 73.22 O ATOM 188 CB THR A 99 0.896 2.908 -8.399 1.00 11.21 C ATOM 189 OG1 THR A 99 0.972 2.198 -9.640 1.00 64.14 O ATOM 190 CG2 THR A 99 2.005 3.948 -8.334 1.00 55.21 C ATOM 0 H THR A 99 2.441 0.704 -8.132 1.00 63.11 H new ATOM 0 HA THR A 99 0.986 2.483 -6.286 1.00 13.23 H new ATOM 0 HB THR A 99 -0.064 3.420 -8.332 1.00 11.21 H new ATOM 0 HG1 THR A 99 0.904 2.832 -10.384 1.00 64.14 H new ATOM 0 HG21 THR A 99 1.911 4.633 -9.176 1.00 55.21 H new ATOM 0 HG22 THR A 99 1.926 4.506 -7.401 1.00 55.21 H new ATOM 0 HG23 THR A 99 2.974 3.450 -8.378 1.00 55.21 H new ATOM 198 N TRP A 100 -1.364 1.491 -6.906 1.00 32.52 N ATOM 199 CA TRP A 100 -2.583 0.688 -6.901 1.00 43.02 C ATOM 200 C TRP A 100 -3.803 1.551 -7.205 1.00 34.02 C ATOM 201 O TRP A 100 -3.814 2.749 -6.922 1.00 74.20 O ATOM 202 CB TRP A 100 -2.756 -0.005 -5.549 1.00 11.22 C ATOM 203 CG TRP A 100 -1.612 -0.902 -5.190 1.00 62.43 C ATOM 204 CD1 TRP A 100 -1.457 -2.214 -5.541 1.00 54.33 C ATOM 205 CD2 TRP A 100 -0.462 -0.557 -4.409 1.00 13.40 C ATOM 206 NE1 TRP A 100 -0.281 -2.703 -5.026 1.00 15.21 N ATOM 207 CE2 TRP A 100 0.348 -1.706 -4.328 1.00 14.53 C ATOM 208 CE3 TRP A 100 -0.038 0.613 -3.773 1.00 32.12 C ATOM 209 CZ2 TRP A 100 1.555 -1.717 -3.634 1.00 61.32 C ATOM 210 CZ3 TRP A 100 1.160 0.600 -3.084 1.00 71.53 C ATOM 211 CH2 TRP A 100 1.946 -0.558 -3.021 1.00 31.12 C ATOM 0 H TRP A 100 -1.496 2.461 -6.620 1.00 32.52 H new ATOM 0 HA TRP A 100 -2.494 -0.069 -7.680 1.00 43.02 H new ATOM 0 HB2 TRP A 100 -2.872 0.752 -4.773 1.00 11.22 H new ATOM 0 HB3 TRP A 100 -3.676 -0.590 -5.564 1.00 11.22 H new ATOM 0 HD1 TRP A 100 -2.156 -2.783 -6.136 1.00 54.33 H new ATOM 0 HE1 TRP A 100 0.067 -3.654 -5.144 1.00 15.21 H new ATOM 0 HE3 TRP A 100 -0.636 1.511 -3.819 1.00 32.12 H new ATOM 0 HZ2 TRP A 100 2.161 -2.609 -3.581 1.00 61.32 H new ATOM 0 HZ3 TRP A 100 1.496 1.497 -2.586 1.00 71.53 H new ATOM 0 HH2 TRP A 100 2.879 -0.535 -2.478 1.00 31.12 H new ATOM 222 N VAL A 101 -4.830 0.934 -7.782 1.00 61.00 N ATOM 223 CA VAL A 101 -6.055 1.646 -8.123 1.00 32.45 C ATOM 224 C VAL A 101 -7.273 0.974 -7.496 1.00 40.42 C ATOM 225 O VAL A 101 -7.612 -0.161 -7.832 1.00 25.23 O ATOM 226 CB VAL A 101 -6.254 1.723 -9.648 1.00 0.04 C ATOM 227 CG1 VAL A 101 -7.413 2.647 -9.990 1.00 12.01 C ATOM 228 CG2 VAL A 101 -4.975 2.185 -10.329 1.00 24.21 C ATOM 0 H VAL A 101 -4.837 -0.057 -8.023 1.00 61.00 H new ATOM 0 HA VAL A 101 -5.955 2.656 -7.726 1.00 32.45 H new ATOM 0 HB VAL A 101 -6.495 0.726 -10.016 1.00 0.04 H new ATOM 0 HG11 VAL A 101 -7.538 2.689 -11.072 1.00 12.01 H new ATOM 0 HG12 VAL A 101 -8.327 2.268 -9.533 1.00 12.01 H new ATOM 0 HG13 VAL A 101 -7.205 3.647 -9.610 1.00 12.01 H new ATOM 0 HG21 VAL A 101 -5.134 2.234 -11.406 1.00 24.21 H new ATOM 0 HG22 VAL A 101 -4.701 3.172 -9.957 1.00 24.21 H new ATOM 0 HG23 VAL A 101 -4.172 1.480 -10.112 1.00 24.21 H new ATOM 238 N LEU A 102 -7.927 1.683 -6.583 1.00 75.05 N ATOM 239 CA LEU A 102 -9.110 1.157 -5.908 1.00 45.45 C ATOM 240 C LEU A 102 -10.158 2.248 -5.716 1.00 52.02 C ATOM 241 O LEU A 102 -9.824 3.417 -5.525 1.00 40.24 O ATOM 242 CB LEU A 102 -8.723 0.560 -4.554 1.00 73.10 C ATOM 243 CG LEU A 102 -8.303 1.559 -3.475 1.00 61.41 C ATOM 244 CD1 LEU A 102 -8.965 1.221 -2.148 1.00 2.42 C ATOM 245 CD2 LEU A 102 -6.788 1.579 -3.328 1.00 51.41 C ATOM 0 H LEU A 102 -7.659 2.623 -6.293 1.00 75.05 H new ATOM 0 HA LEU A 102 -9.539 0.375 -6.534 1.00 45.45 H new ATOM 0 HB2 LEU A 102 -9.569 -0.016 -4.178 1.00 73.10 H new ATOM 0 HB3 LEU A 102 -7.904 -0.142 -4.710 1.00 73.10 H new ATOM 0 HG LEU A 102 -8.632 2.553 -3.779 1.00 61.41 H new ATOM 0 HD11 LEU A 102 -8.654 1.942 -1.392 1.00 2.42 H new ATOM 0 HD12 LEU A 102 -10.048 1.258 -2.262 1.00 2.42 H new ATOM 0 HD13 LEU A 102 -8.667 0.219 -1.838 1.00 2.42 H new ATOM 0 HD21 LEU A 102 -6.507 2.295 -2.556 1.00 51.41 H new ATOM 0 HD22 LEU A 102 -6.437 0.586 -3.047 1.00 51.41 H new ATOM 0 HD23 LEU A 102 -6.334 1.870 -4.275 1.00 51.41 H new ATOM 257 N ARG A 103 -11.427 1.857 -5.766 1.00 4.20 N ATOM 258 CA ARG A 103 -12.524 2.801 -5.596 1.00 52.44 C ATOM 259 C ARG A 103 -12.631 3.256 -4.143 1.00 40.43 C ATOM 260 O ARG A 103 -13.319 2.632 -3.335 1.00 23.41 O ATOM 261 CB ARG A 103 -13.844 2.168 -6.041 1.00 24.44 C ATOM 262 CG ARG A 103 -13.751 1.436 -7.370 1.00 44.41 C ATOM 263 CD ARG A 103 -14.945 1.743 -8.259 1.00 40.24 C ATOM 264 NE ARG A 103 -16.112 0.938 -7.908 1.00 44.24 N ATOM 265 CZ ARG A 103 -16.257 -0.335 -8.257 1.00 72.32 C ATOM 266 NH1 ARG A 103 -15.315 -0.945 -8.963 1.00 21.23 N ATOM 267 NH2 ARG A 103 -17.347 -1.002 -7.899 1.00 62.41 N ATOM 0 H ARG A 103 -11.721 0.893 -5.923 1.00 4.20 H new ATOM 0 HA ARG A 103 -12.319 3.673 -6.218 1.00 52.44 H new ATOM 0 HB2 ARG A 103 -14.179 1.470 -5.274 1.00 24.44 H new ATOM 0 HB3 ARG A 103 -14.603 2.947 -6.117 1.00 24.44 H new ATOM 0 HG2 ARG A 103 -12.832 1.723 -7.881 1.00 44.41 H new ATOM 0 HG3 ARG A 103 -13.695 0.362 -7.192 1.00 44.41 H new ATOM 0 HD2 ARG A 103 -15.196 2.800 -8.176 1.00 40.24 H new ATOM 0 HD3 ARG A 103 -14.678 1.560 -9.300 1.00 40.24 H new ATOM 0 HE ARG A 103 -16.856 1.377 -7.366 1.00 44.24 H new ATOM 0 HH11 ARG A 103 -14.475 -0.436 -9.240 1.00 21.23 H new ATOM 0 HH12 ARG A 103 -15.430 -1.923 -9.229 1.00 21.23 H new ATOM 0 HH21 ARG A 103 -18.074 -0.537 -7.355 1.00 62.41 H new ATOM 0 HH22 ARG A 103 -17.458 -1.980 -8.167 1.00 62.41 H new ATOM 281 N LEU A 104 -11.945 4.347 -3.820 1.00 13.05 N ATOM 282 CA LEU A 104 -11.962 4.886 -2.464 1.00 4.42 C ATOM 283 C LEU A 104 -12.469 6.325 -2.456 1.00 72.22 C ATOM 284 O LEU A 104 -12.315 7.053 -3.436 1.00 55.54 O ATOM 285 CB LEU A 104 -10.561 4.825 -1.852 1.00 21.32 C ATOM 286 CG LEU A 104 -10.497 4.541 -0.351 1.00 64.31 C ATOM 287 CD1 LEU A 104 -9.366 3.571 -0.040 1.00 34.32 C ATOM 288 CD2 LEU A 104 -10.320 5.835 0.429 1.00 60.10 C ATOM 0 H LEU A 104 -11.371 4.875 -4.477 1.00 13.05 H new ATOM 0 HA LEU A 104 -12.640 4.277 -1.866 1.00 4.42 H new ATOM 0 HB2 LEU A 104 -9.992 4.054 -2.372 1.00 21.32 H new ATOM 0 HB3 LEU A 104 -10.061 5.774 -2.044 1.00 21.32 H new ATOM 0 HG LEU A 104 -11.438 4.082 -0.047 1.00 64.31 H new ATOM 0 HD11 LEU A 104 -9.335 3.380 1.033 1.00 34.32 H new ATOM 0 HD12 LEU A 104 -9.534 2.634 -0.571 1.00 34.32 H new ATOM 0 HD13 LEU A 104 -8.418 4.003 -0.359 1.00 34.32 H new ATOM 0 HD21 LEU A 104 -10.276 5.614 1.495 1.00 60.10 H new ATOM 0 HD22 LEU A 104 -9.395 6.322 0.121 1.00 60.10 H new ATOM 0 HD23 LEU A 104 -11.162 6.498 0.230 1.00 60.10 H new ATOM 300 N ASP A 105 -13.074 6.727 -1.344 1.00 25.22 N ATOM 301 CA ASP A 105 -13.601 8.079 -1.206 1.00 15.53 C ATOM 302 C ASP A 105 -14.746 8.318 -2.185 1.00 73.31 C ATOM 303 O ASP A 105 -15.151 9.456 -2.419 1.00 2.52 O ATOM 304 CB ASP A 105 -12.493 9.108 -1.439 1.00 21.12 C ATOM 305 CG ASP A 105 -12.825 10.461 -0.841 1.00 41.31 C ATOM 306 OD1 ASP A 105 -12.819 10.579 0.402 1.00 32.44 O ATOM 307 OD2 ASP A 105 -13.089 11.403 -1.616 1.00 51.21 O ATOM 0 H ASP A 105 -13.212 6.135 -0.525 1.00 25.22 H new ATOM 0 HA ASP A 105 -13.983 8.191 -0.191 1.00 15.53 H new ATOM 0 HB2 ASP A 105 -11.563 8.741 -1.005 1.00 21.12 H new ATOM 0 HB3 ASP A 105 -12.323 9.219 -2.510 1.00 21.12 H new ATOM 312 N GLY A 106 -15.266 7.235 -2.755 1.00 63.12 N ATOM 313 CA GLY A 106 -16.359 7.348 -3.703 1.00 52.31 C ATOM 314 C GLY A 106 -15.874 7.512 -5.130 1.00 13.33 C ATOM 315 O GLY A 106 -16.678 7.627 -6.056 1.00 3.43 O ATOM 0 H GLY A 106 -14.950 6.282 -2.577 1.00 63.12 H new ATOM 0 HA2 GLY A 106 -16.987 6.460 -3.636 1.00 52.31 H new ATOM 0 HA3 GLY A 106 -16.982 8.201 -3.434 1.00 52.31 H new ATOM 319 N GLU A 107 -14.557 7.526 -5.308 1.00 71.51 N ATOM 320 CA GLU A 107 -13.968 7.681 -6.633 1.00 75.12 C ATOM 321 C GLU A 107 -12.756 6.769 -6.800 1.00 30.04 C ATOM 322 O GLU A 107 -12.311 6.129 -5.846 1.00 2.52 O ATOM 323 CB GLU A 107 -13.561 9.136 -6.868 1.00 51.33 C ATOM 324 CG GLU A 107 -14.720 10.115 -6.775 1.00 52.42 C ATOM 325 CD GLU A 107 -14.265 11.562 -6.802 1.00 75.51 C ATOM 326 OE1 GLU A 107 -13.991 12.078 -7.905 1.00 31.10 O ATOM 327 OE2 GLU A 107 -14.186 12.178 -5.719 1.00 21.53 O ATOM 0 H GLU A 107 -13.878 7.432 -4.552 1.00 71.51 H new ATOM 0 HA GLU A 107 -14.719 7.398 -7.371 1.00 75.12 H new ATOM 0 HB2 GLU A 107 -12.802 9.415 -6.137 1.00 51.33 H new ATOM 0 HB3 GLU A 107 -13.102 9.222 -7.853 1.00 51.33 H new ATOM 0 HG2 GLU A 107 -15.407 9.939 -7.603 1.00 52.42 H new ATOM 0 HG3 GLU A 107 -15.275 9.929 -5.855 1.00 52.42 H new ATOM 334 N ASP A 108 -12.227 6.714 -8.016 1.00 43.11 N ATOM 335 CA ASP A 108 -11.065 5.882 -8.308 1.00 61.12 C ATOM 336 C ASP A 108 -9.816 6.433 -7.627 1.00 53.42 C ATOM 337 O ASP A 108 -9.086 7.239 -8.205 1.00 1.21 O ATOM 338 CB ASP A 108 -10.841 5.795 -9.819 1.00 21.21 C ATOM 339 CG ASP A 108 -10.908 7.151 -10.494 1.00 63.42 C ATOM 340 OD1 ASP A 108 -12.029 7.607 -10.800 1.00 30.11 O ATOM 341 OD2 ASP A 108 -9.837 7.756 -10.715 1.00 33.24 O ATOM 0 H ASP A 108 -12.584 7.236 -8.817 1.00 43.11 H new ATOM 0 HA ASP A 108 -11.258 4.882 -7.918 1.00 61.12 H new ATOM 0 HB2 ASP A 108 -9.868 5.343 -10.014 1.00 21.21 H new ATOM 0 HB3 ASP A 108 -11.591 5.137 -10.257 1.00 21.21 H new ATOM 346 N LEU A 109 -9.578 5.994 -6.397 1.00 2.42 N ATOM 347 CA LEU A 109 -8.418 6.444 -5.635 1.00 60.53 C ATOM 348 C LEU A 109 -7.143 5.775 -6.139 1.00 73.23 C ATOM 349 O LEU A 109 -7.093 4.556 -6.303 1.00 21.44 O ATOM 350 CB LEU A 109 -8.611 6.144 -4.148 1.00 12.14 C ATOM 351 CG LEU A 109 -7.908 7.090 -3.175 1.00 4.54 C ATOM 352 CD1 LEU A 109 -8.910 8.038 -2.534 1.00 5.11 C ATOM 353 CD2 LEU A 109 -7.159 6.302 -2.110 1.00 72.41 C ATOM 0 H LEU A 109 -10.172 5.327 -5.905 1.00 2.42 H new ATOM 0 HA LEU A 109 -8.320 7.521 -5.772 1.00 60.53 H new ATOM 0 HB2 LEU A 109 -9.679 6.160 -3.931 1.00 12.14 H new ATOM 0 HB3 LEU A 109 -8.261 5.130 -3.954 1.00 12.14 H new ATOM 0 HG LEU A 109 -7.184 7.683 -3.735 1.00 4.54 H new ATOM 0 HD11 LEU A 109 -8.391 8.704 -1.844 1.00 5.11 H new ATOM 0 HD12 LEU A 109 -9.400 8.628 -3.309 1.00 5.11 H new ATOM 0 HD13 LEU A 109 -9.658 7.462 -1.989 1.00 5.11 H new ATOM 0 HD21 LEU A 109 -6.665 6.993 -1.427 1.00 72.41 H new ATOM 0 HD22 LEU A 109 -7.862 5.682 -1.554 1.00 72.41 H new ATOM 0 HD23 LEU A 109 -6.412 5.666 -2.586 1.00 72.41 H new ATOM 365 N ARG A 110 -6.114 6.581 -6.382 1.00 62.31 N ATOM 366 CA ARG A 110 -4.839 6.066 -6.866 1.00 42.02 C ATOM 367 C ARG A 110 -3.783 6.106 -5.765 1.00 22.12 C ATOM 368 O ARG A 110 -3.370 7.179 -5.325 1.00 11.13 O ATOM 369 CB ARG A 110 -4.363 6.876 -8.073 1.00 53.32 C ATOM 370 CG ARG A 110 -3.866 6.018 -9.225 1.00 72.41 C ATOM 371 CD ARG A 110 -3.793 6.812 -10.520 1.00 4.11 C ATOM 372 NE ARG A 110 -3.289 6.006 -11.628 1.00 74.34 N ATOM 373 CZ ARG A 110 -3.398 6.361 -12.905 1.00 4.35 C ATOM 374 NH1 ARG A 110 -3.988 7.503 -13.230 1.00 32.41 N ATOM 375 NH2 ARG A 110 -2.913 5.573 -13.857 1.00 53.41 N ATOM 0 H ARG A 110 -6.139 7.592 -6.252 1.00 62.31 H new ATOM 0 HA ARG A 110 -4.986 5.029 -7.168 1.00 42.02 H new ATOM 0 HB2 ARG A 110 -5.182 7.503 -8.425 1.00 53.32 H new ATOM 0 HB3 ARG A 110 -3.562 7.545 -7.758 1.00 53.32 H new ATOM 0 HG2 ARG A 110 -2.880 5.620 -8.985 1.00 72.41 H new ATOM 0 HG3 ARG A 110 -4.531 5.164 -9.357 1.00 72.41 H new ATOM 0 HD2 ARG A 110 -4.784 7.191 -10.769 1.00 4.11 H new ATOM 0 HD3 ARG A 110 -3.147 7.678 -10.378 1.00 4.11 H new ATOM 0 HE ARG A 110 -2.828 5.122 -11.411 1.00 74.34 H new ATOM 0 HH11 ARG A 110 -4.359 8.111 -12.500 1.00 32.41 H new ATOM 0 HH12 ARG A 110 -4.071 7.774 -14.210 1.00 32.41 H new ATOM 0 HH21 ARG A 110 -2.457 4.695 -13.609 1.00 53.41 H new ATOM 0 HH22 ARG A 110 -2.997 5.845 -14.836 1.00 53.41 H new ATOM 389 N VAL A 111 -3.351 4.929 -5.323 1.00 71.44 N ATOM 390 CA VAL A 111 -2.343 4.829 -4.275 1.00 22.32 C ATOM 391 C VAL A 111 -0.949 4.661 -4.866 1.00 64.02 C ATOM 392 O VAL A 111 -0.764 3.959 -5.861 1.00 75.43 O ATOM 393 CB VAL A 111 -2.633 3.648 -3.329 1.00 31.11 C ATOM 394 CG1 VAL A 111 -2.143 3.958 -1.922 1.00 31.31 C ATOM 395 CG2 VAL A 111 -4.119 3.322 -3.325 1.00 23.20 C ATOM 0 H VAL A 111 -3.684 4.031 -5.675 1.00 71.44 H new ATOM 0 HA VAL A 111 -2.384 5.759 -3.708 1.00 22.32 H new ATOM 0 HB VAL A 111 -2.093 2.773 -3.691 1.00 31.11 H new ATOM 0 HG11 VAL A 111 -2.356 3.113 -1.268 1.00 31.31 H new ATOM 0 HG12 VAL A 111 -1.068 4.139 -1.943 1.00 31.31 H new ATOM 0 HG13 VAL A 111 -2.653 4.845 -1.546 1.00 31.31 H new ATOM 0 HG21 VAL A 111 -4.306 2.486 -2.652 1.00 23.20 H new ATOM 0 HG22 VAL A 111 -4.682 4.192 -2.987 1.00 23.20 H new ATOM 0 HG23 VAL A 111 -4.435 3.054 -4.333 1.00 23.20 H new ATOM 405 N VAL A 112 0.033 5.310 -4.248 1.00 11.13 N ATOM 406 CA VAL A 112 1.413 5.232 -4.712 1.00 13.21 C ATOM 407 C VAL A 112 2.375 5.036 -3.546 1.00 61.41 C ATOM 408 O VAL A 112 2.365 5.803 -2.582 1.00 73.35 O ATOM 409 CB VAL A 112 1.817 6.499 -5.489 1.00 54.41 C ATOM 410 CG1 VAL A 112 3.233 6.367 -6.028 1.00 14.20 C ATOM 411 CG2 VAL A 112 0.831 6.770 -6.615 1.00 63.14 C ATOM 0 H VAL A 112 -0.102 5.896 -3.424 1.00 11.13 H new ATOM 0 HA VAL A 112 1.474 4.371 -5.378 1.00 13.21 H new ATOM 0 HB VAL A 112 1.793 7.347 -4.805 1.00 54.41 H new ATOM 0 HG11 VAL A 112 3.500 7.272 -6.574 1.00 14.20 H new ATOM 0 HG12 VAL A 112 3.926 6.225 -5.199 1.00 14.20 H new ATOM 0 HG13 VAL A 112 3.289 5.509 -6.698 1.00 14.20 H new ATOM 0 HG21 VAL A 112 1.132 7.669 -7.153 1.00 63.14 H new ATOM 0 HG22 VAL A 112 0.820 5.923 -7.301 1.00 63.14 H new ATOM 0 HG23 VAL A 112 -0.166 6.913 -6.199 1.00 63.14 H new ATOM 421 N LEU A 113 3.206 4.004 -3.639 1.00 64.11 N ATOM 422 CA LEU A 113 4.176 3.706 -2.591 1.00 64.54 C ATOM 423 C LEU A 113 5.602 3.917 -3.093 1.00 54.12 C ATOM 424 O LEU A 113 6.162 3.061 -3.777 1.00 33.32 O ATOM 425 CB LEU A 113 4.003 2.266 -2.103 1.00 42.24 C ATOM 426 CG LEU A 113 5.093 1.739 -1.170 1.00 12.24 C ATOM 427 CD1 LEU A 113 5.509 2.812 -0.175 1.00 13.12 C ATOM 428 CD2 LEU A 113 4.614 0.491 -0.441 1.00 42.34 C ATOM 0 H LEU A 113 3.228 3.359 -4.429 1.00 64.11 H new ATOM 0 HA LEU A 113 3.998 4.389 -1.760 1.00 64.54 H new ATOM 0 HB2 LEU A 113 3.045 2.190 -1.589 1.00 42.24 H new ATOM 0 HB3 LEU A 113 3.950 1.612 -2.974 1.00 42.24 H new ATOM 0 HG LEU A 113 5.962 1.473 -1.772 1.00 12.24 H new ATOM 0 HD11 LEU A 113 6.286 2.419 0.481 1.00 13.12 H new ATOM 0 HD12 LEU A 113 5.893 3.678 -0.714 1.00 13.12 H new ATOM 0 HD13 LEU A 113 4.646 3.109 0.422 1.00 13.12 H new ATOM 0 HD21 LEU A 113 5.403 0.130 0.219 1.00 42.34 H new ATOM 0 HD22 LEU A 113 3.729 0.731 0.149 1.00 42.34 H new ATOM 0 HD23 LEU A 113 4.366 -0.283 -1.168 1.00 42.34 H new ATOM 440 N GLU A 114 6.181 5.062 -2.748 1.00 4.24 N ATOM 441 CA GLU A 114 7.541 5.384 -3.162 1.00 43.15 C ATOM 442 C GLU A 114 8.562 4.619 -2.323 1.00 54.33 C ATOM 443 O GLU A 114 8.570 4.715 -1.096 1.00 42.12 O ATOM 444 CB GLU A 114 7.792 6.889 -3.042 1.00 40.12 C ATOM 445 CG GLU A 114 8.177 7.548 -4.356 1.00 0.42 C ATOM 446 CD GLU A 114 7.211 8.643 -4.764 1.00 52.21 C ATOM 447 OE1 GLU A 114 6.877 9.488 -3.907 1.00 51.12 O ATOM 448 OE2 GLU A 114 6.789 8.656 -5.939 1.00 71.33 O ATOM 0 H GLU A 114 5.730 5.782 -2.183 1.00 4.24 H new ATOM 0 HA GLU A 114 7.656 5.085 -4.204 1.00 43.15 H new ATOM 0 HB2 GLU A 114 6.894 7.369 -2.654 1.00 40.12 H new ATOM 0 HB3 GLU A 114 8.585 7.060 -2.314 1.00 40.12 H new ATOM 0 HG2 GLU A 114 9.179 7.967 -4.268 1.00 0.42 H new ATOM 0 HG3 GLU A 114 8.215 6.792 -5.140 1.00 0.42 H new ATOM 455 N LYS A 115 9.421 3.860 -2.995 1.00 34.42 N ATOM 456 CA LYS A 115 10.446 3.078 -2.314 1.00 21.14 C ATOM 457 C LYS A 115 11.426 3.988 -1.581 1.00 41.21 C ATOM 458 O LYS A 115 12.179 3.538 -0.717 1.00 23.25 O ATOM 459 CB LYS A 115 11.199 2.202 -3.317 1.00 62.14 C ATOM 460 CG LYS A 115 12.183 2.974 -4.180 1.00 25.54 C ATOM 461 CD LYS A 115 13.619 2.584 -3.871 1.00 11.23 C ATOM 462 CE LYS A 115 14.595 3.671 -4.294 1.00 54.23 C ATOM 463 NZ LYS A 115 15.978 3.391 -3.819 1.00 60.01 N ATOM 0 H LYS A 115 9.428 3.770 -4.011 1.00 34.42 H new ATOM 0 HA LYS A 115 9.953 2.439 -1.581 1.00 21.14 H new ATOM 0 HB2 LYS A 115 11.736 1.424 -2.775 1.00 62.14 H new ATOM 0 HB3 LYS A 115 10.478 1.701 -3.963 1.00 62.14 H new ATOM 0 HG2 LYS A 115 11.972 2.785 -5.233 1.00 25.54 H new ATOM 0 HG3 LYS A 115 12.052 4.044 -4.016 1.00 25.54 H new ATOM 0 HD2 LYS A 115 13.724 2.395 -2.803 1.00 11.23 H new ATOM 0 HD3 LYS A 115 13.863 1.654 -4.385 1.00 11.23 H new ATOM 0 HE2 LYS A 115 14.595 3.756 -5.381 1.00 54.23 H new ATOM 0 HE3 LYS A 115 14.263 4.631 -3.899 1.00 54.23 H new ATOM 0 HZ1 LYS A 115 16.612 4.155 -4.128 1.00 60.01 H new ATOM 0 HZ2 LYS A 115 15.984 3.335 -2.781 1.00 60.01 H new ATOM 0 HZ3 LYS A 115 16.305 2.487 -4.216 1.00 60.01 H new ATOM 477 N ASP A 116 11.412 5.270 -1.931 1.00 30.35 N ATOM 478 CA ASP A 116 12.298 6.243 -1.304 1.00 30.03 C ATOM 479 C ASP A 116 12.200 6.168 0.216 1.00 20.15 C ATOM 480 O ASP A 116 13.202 5.978 0.907 1.00 74.34 O ATOM 481 CB ASP A 116 11.957 7.656 -1.781 1.00 22.13 C ATOM 482 CG ASP A 116 13.123 8.328 -2.479 1.00 4.11 C ATOM 483 OD1 ASP A 116 13.735 7.691 -3.361 1.00 74.34 O ATOM 484 OD2 ASP A 116 13.423 9.493 -2.144 1.00 3.33 O ATOM 0 H ASP A 116 10.797 5.659 -2.646 1.00 30.35 H new ATOM 0 HA ASP A 116 13.321 6.006 -1.595 1.00 30.03 H new ATOM 0 HB2 ASP A 116 11.107 7.611 -2.461 1.00 22.13 H new ATOM 0 HB3 ASP A 116 11.651 8.261 -0.927 1.00 22.13 H new ATOM 489 N THR A 117 10.985 6.321 0.734 1.00 32.41 N ATOM 490 CA THR A 117 10.755 6.273 2.173 1.00 72.25 C ATOM 491 C THR A 117 9.575 5.369 2.511 1.00 52.14 C ATOM 492 O THR A 117 9.028 5.434 3.611 1.00 32.55 O ATOM 493 CB THR A 117 10.492 7.677 2.746 1.00 43.51 C ATOM 494 OG1 THR A 117 9.355 8.264 2.105 1.00 53.14 O ATOM 495 CG2 THR A 117 11.706 8.574 2.558 1.00 51.35 C ATOM 0 H THR A 117 10.145 6.479 0.178 1.00 32.41 H new ATOM 0 HA THR A 117 11.660 5.868 2.625 1.00 72.25 H new ATOM 0 HB THR A 117 10.295 7.578 3.813 1.00 43.51 H new ATOM 0 HG1 THR A 117 9.194 9.156 2.477 1.00 53.14 H new ATOM 0 HG21 THR A 117 11.497 9.561 2.971 1.00 51.35 H new ATOM 0 HG22 THR A 117 12.563 8.140 3.073 1.00 51.35 H new ATOM 0 HG23 THR A 117 11.930 8.665 1.495 1.00 51.35 H new ATOM 503 N MET A 118 9.187 4.528 1.558 1.00 62.15 N ATOM 504 CA MET A 118 8.072 3.610 1.757 1.00 14.22 C ATOM 505 C MET A 118 6.810 4.367 2.160 1.00 34.32 C ATOM 506 O MET A 118 5.947 3.827 2.853 1.00 53.24 O ATOM 507 CB MET A 118 8.421 2.573 2.826 1.00 63.50 C ATOM 508 CG MET A 118 9.491 1.585 2.388 1.00 42.11 C ATOM 509 SD MET A 118 9.517 0.094 3.401 1.00 51.33 S ATOM 510 CE MET A 118 8.273 -0.897 2.578 1.00 43.21 C ATOM 0 H MET A 118 9.628 4.463 0.641 1.00 62.15 H new ATOM 0 HA MET A 118 7.883 3.099 0.813 1.00 14.22 H new ATOM 0 HB2 MET A 118 8.760 3.089 3.724 1.00 63.50 H new ATOM 0 HB3 MET A 118 7.519 2.023 3.096 1.00 63.50 H new ATOM 0 HG2 MET A 118 9.321 1.309 1.347 1.00 42.11 H new ATOM 0 HG3 MET A 118 10.467 2.068 2.435 1.00 42.11 H new ATOM 0 HE1 MET A 118 7.544 -1.247 3.309 1.00 43.21 H new ATOM 0 HE2 MET A 118 7.768 -0.294 1.823 1.00 43.21 H new ATOM 0 HE3 MET A 118 8.748 -1.754 2.100 1.00 43.21 H new ATOM 520 N ASP A 119 6.710 5.616 1.721 1.00 12.44 N ATOM 521 CA ASP A 119 5.553 6.446 2.036 1.00 11.42 C ATOM 522 C ASP A 119 4.389 6.133 1.101 1.00 54.11 C ATOM 523 O ASP A 119 4.590 5.793 -0.065 1.00 61.00 O ATOM 524 CB ASP A 119 5.919 7.928 1.937 1.00 41.33 C ATOM 525 CG ASP A 119 4.723 8.836 2.144 1.00 53.01 C ATOM 526 OD1 ASP A 119 4.422 9.164 3.311 1.00 5.41 O ATOM 527 OD2 ASP A 119 4.087 9.218 1.139 1.00 3.23 O ATOM 0 H ASP A 119 7.416 6.076 1.146 1.00 12.44 H new ATOM 0 HA ASP A 119 5.245 6.224 3.058 1.00 11.42 H new ATOM 0 HB2 ASP A 119 6.681 8.161 2.680 1.00 41.33 H new ATOM 0 HB3 ASP A 119 6.357 8.126 0.959 1.00 41.33 H new ATOM 532 N VAL A 120 3.171 6.250 1.620 1.00 23.03 N ATOM 533 CA VAL A 120 1.974 5.980 0.833 1.00 45.15 C ATOM 534 C VAL A 120 1.275 7.274 0.433 1.00 60.21 C ATOM 535 O VAL A 120 1.015 8.136 1.273 1.00 71.23 O ATOM 536 CB VAL A 120 0.982 5.091 1.606 1.00 12.30 C ATOM 537 CG1 VAL A 120 -0.268 4.839 0.776 1.00 65.43 C ATOM 538 CG2 VAL A 120 1.641 3.779 2.005 1.00 43.34 C ATOM 0 H VAL A 120 2.987 6.530 2.583 1.00 23.03 H new ATOM 0 HA VAL A 120 2.298 5.454 -0.065 1.00 45.15 H new ATOM 0 HB VAL A 120 0.686 5.613 2.516 1.00 12.30 H new ATOM 0 HG11 VAL A 120 -0.957 4.209 1.338 1.00 65.43 H new ATOM 0 HG12 VAL A 120 -0.750 5.789 0.546 1.00 65.43 H new ATOM 0 HG13 VAL A 120 0.006 4.338 -0.152 1.00 65.43 H new ATOM 0 HG21 VAL A 120 0.925 3.163 2.550 1.00 43.34 H new ATOM 0 HG22 VAL A 120 1.968 3.249 1.110 1.00 43.34 H new ATOM 0 HG23 VAL A 120 2.503 3.983 2.641 1.00 43.34 H new ATOM 548 N TRP A 121 0.975 7.404 -0.854 1.00 54.52 N ATOM 549 CA TRP A 121 0.305 8.594 -1.366 1.00 0.25 C ATOM 550 C TRP A 121 -1.029 8.234 -2.011 1.00 23.54 C ATOM 551 O TRP A 121 -1.068 7.621 -3.078 1.00 44.12 O ATOM 552 CB TRP A 121 1.198 9.312 -2.380 1.00 32.40 C ATOM 553 CG TRP A 121 0.993 10.796 -2.407 1.00 32.34 C ATOM 554 CD1 TRP A 121 0.092 11.485 -3.169 1.00 21.31 C ATOM 555 CD2 TRP A 121 1.703 11.773 -1.640 1.00 5.02 C ATOM 556 NE1 TRP A 121 0.202 12.832 -2.921 1.00 53.24 N ATOM 557 CE2 TRP A 121 1.182 13.035 -1.986 1.00 72.05 C ATOM 558 CE3 TRP A 121 2.728 11.706 -0.692 1.00 61.41 C ATOM 559 CZ2 TRP A 121 1.652 14.216 -1.419 1.00 1.52 C ATOM 560 CZ3 TRP A 121 3.194 12.879 -0.130 1.00 53.42 C ATOM 561 CH2 TRP A 121 2.656 14.121 -0.494 1.00 74.44 C ATOM 0 H TRP A 121 1.185 6.700 -1.562 1.00 54.52 H new ATOM 0 HA TRP A 121 0.113 9.261 -0.525 1.00 0.25 H new ATOM 0 HB2 TRP A 121 2.242 9.101 -2.147 1.00 32.40 H new ATOM 0 HB3 TRP A 121 1.005 8.908 -3.374 1.00 32.40 H new ATOM 0 HD1 TRP A 121 -0.604 11.037 -3.863 1.00 21.31 H new ATOM 0 HE1 TRP A 121 -0.356 13.563 -3.362 1.00 53.24 H new ATOM 0 HE3 TRP A 121 3.148 10.754 -0.404 1.00 61.41 H new ATOM 0 HZ2 TRP A 121 1.239 15.174 -1.699 1.00 1.52 H new ATOM 0 HZ3 TRP A 121 3.987 12.838 0.603 1.00 53.42 H new ATOM 0 HH2 TRP A 121 3.041 15.020 -0.036 1.00 74.44 H new ATOM 572 N CYS A 122 -2.120 8.616 -1.356 1.00 54.10 N ATOM 573 CA CYS A 122 -3.457 8.333 -1.866 1.00 70.30 C ATOM 574 C CYS A 122 -4.018 9.534 -2.621 1.00 70.34 C ATOM 575 O CYS A 122 -4.204 10.606 -2.049 1.00 34.12 O ATOM 576 CB CYS A 122 -4.394 7.953 -0.718 1.00 44.23 C ATOM 577 SG CYS A 122 -4.320 6.208 -0.252 1.00 75.54 S ATOM 0 H CYS A 122 -2.105 9.122 -0.471 1.00 54.10 H new ATOM 0 HA CYS A 122 -3.384 7.494 -2.558 1.00 70.30 H new ATOM 0 HB2 CYS A 122 -4.150 8.561 0.153 1.00 44.23 H new ATOM 0 HB3 CYS A 122 -5.417 8.199 -1.002 1.00 44.23 H new ATOM 0 HG CYS A 122 -5.145 5.985 0.727 1.00 75.54 H new ATOM 583 N ASN A 123 -4.282 9.345 -3.910 1.00 70.30 N ATOM 584 CA ASN A 123 -4.820 10.414 -4.744 1.00 44.11 C ATOM 585 C ASN A 123 -3.818 11.556 -4.877 1.00 5.11 C ATOM 586 O ASN A 123 -3.079 11.637 -5.858 1.00 52.24 O ATOM 587 CB ASN A 123 -6.131 10.938 -4.155 1.00 72.30 C ATOM 588 CG ASN A 123 -7.349 10.373 -4.862 1.00 42.11 C ATOM 589 OD1 ASN A 123 -7.229 9.527 -5.748 1.00 2.22 O ATOM 590 ND2 ASN A 123 -8.529 10.840 -4.471 1.00 44.33 N ATOM 0 H ASN A 123 -4.132 8.463 -4.399 1.00 70.30 H new ATOM 0 HA ASN A 123 -5.013 10.005 -5.736 1.00 44.11 H new ATOM 0 HB2 ASN A 123 -6.178 10.683 -3.096 1.00 72.30 H new ATOM 0 HB3 ASN A 123 -6.147 12.026 -4.222 1.00 72.30 H new ATOM 0 HD21 ASN A 123 -9.384 10.497 -4.909 1.00 44.33 H new ATOM 0 HD22 ASN A 123 -8.581 11.541 -3.732 1.00 44.33 H new ATOM 597 N GLY A 124 -3.796 12.437 -3.882 1.00 22.01 N ATOM 598 CA GLY A 124 -2.880 13.563 -3.907 1.00 10.01 C ATOM 599 C GLY A 124 -2.595 14.108 -2.522 1.00 5.42 C ATOM 600 O GLY A 124 -2.625 15.320 -2.307 1.00 52.15 O ATOM 0 H GLY A 124 -4.396 12.391 -3.059 1.00 22.01 H new ATOM 0 HA2 GLY A 124 -1.944 13.256 -4.373 1.00 10.01 H new ATOM 0 HA3 GLY A 124 -3.300 14.355 -4.527 1.00 10.01 H new ATOM 604 N GLN A 125 -2.318 13.212 -1.579 1.00 51.24 N ATOM 605 CA GLN A 125 -2.028 13.612 -0.207 1.00 42.03 C ATOM 606 C GLN A 125 -1.261 12.518 0.528 1.00 50.52 C ATOM 607 O GLN A 125 -1.611 11.340 0.452 1.00 14.43 O ATOM 608 CB GLN A 125 -3.325 13.931 0.538 1.00 33.31 C ATOM 609 CG GLN A 125 -3.360 15.331 1.128 1.00 2.41 C ATOM 610 CD GLN A 125 -4.466 15.507 2.150 1.00 62.35 C ATOM 611 OE1 GLN A 125 -5.407 14.715 2.205 1.00 4.34 O ATOM 612 NE2 GLN A 125 -4.358 16.549 2.966 1.00 11.20 N ATOM 0 H GLN A 125 -2.288 12.205 -1.740 1.00 51.24 H new ATOM 0 HA GLN A 125 -1.406 14.507 -0.239 1.00 42.03 H new ATOM 0 HB2 GLN A 125 -4.165 13.813 -0.146 1.00 33.31 H new ATOM 0 HB3 GLN A 125 -3.462 13.205 1.339 1.00 33.31 H new ATOM 0 HG2 GLN A 125 -2.400 15.548 1.597 1.00 2.41 H new ATOM 0 HG3 GLN A 125 -3.494 16.056 0.325 1.00 2.41 H new ATOM 0 HE21 GLN A 125 -3.561 17.180 2.885 1.00 11.20 H new ATOM 0 HE22 GLN A 125 -5.072 16.718 3.674 1.00 11.20 H new ATOM 621 N LYS A 126 -0.212 12.915 1.239 1.00 4.20 N ATOM 622 CA LYS A 126 0.606 11.969 1.989 1.00 25.03 C ATOM 623 C LYS A 126 -0.256 11.126 2.924 1.00 23.10 C ATOM 624 O LYS A 126 -1.393 11.485 3.227 1.00 42.31 O ATOM 625 CB LYS A 126 1.673 12.713 2.796 1.00 1.01 C ATOM 626 CG LYS A 126 2.885 11.862 3.133 1.00 20.11 C ATOM 627 CD LYS A 126 3.957 12.673 3.842 1.00 72.22 C ATOM 628 CE LYS A 126 3.506 13.101 5.230 1.00 21.31 C ATOM 629 NZ LYS A 126 4.661 13.381 6.127 1.00 53.51 N ATOM 0 H LYS A 126 0.092 13.886 1.312 1.00 4.20 H new ATOM 0 HA LYS A 126 1.095 11.305 1.276 1.00 25.03 H new ATOM 0 HB2 LYS A 126 1.999 13.587 2.232 1.00 1.01 H new ATOM 0 HB3 LYS A 126 1.228 13.078 3.721 1.00 1.01 H new ATOM 0 HG2 LYS A 126 2.581 11.028 3.766 1.00 20.11 H new ATOM 0 HG3 LYS A 126 3.296 11.435 2.218 1.00 20.11 H new ATOM 0 HD2 LYS A 126 4.869 12.082 3.921 1.00 72.22 H new ATOM 0 HD3 LYS A 126 4.199 13.555 3.249 1.00 72.22 H new ATOM 0 HE2 LYS A 126 2.883 13.992 5.151 1.00 21.31 H new ATOM 0 HE3 LYS A 126 2.887 12.318 5.668 1.00 21.31 H new ATOM 0 HZ1 LYS A 126 4.312 13.670 7.063 1.00 53.51 H new ATOM 0 HZ2 LYS A 126 5.242 12.524 6.223 1.00 53.51 H new ATOM 0 HZ3 LYS A 126 5.238 14.146 5.722 1.00 53.51 H new ATOM 643 N MET A 127 0.294 10.004 3.378 1.00 45.31 N ATOM 644 CA MET A 127 -0.424 9.111 4.279 1.00 13.44 C ATOM 645 C MET A 127 0.410 8.803 5.518 1.00 30.23 C ATOM 646 O MET A 127 1.607 9.085 5.556 1.00 3.24 O ATOM 647 CB MET A 127 -0.792 7.812 3.560 1.00 14.10 C ATOM 648 CG MET A 127 -1.701 8.018 2.360 1.00 52.33 C ATOM 649 SD MET A 127 -3.450 7.922 2.789 1.00 55.21 S ATOM 650 CE MET A 127 -3.561 6.237 3.386 1.00 64.04 C ATOM 0 H MET A 127 1.235 9.692 3.136 1.00 45.31 H new ATOM 0 HA MET A 127 -1.339 9.613 4.595 1.00 13.44 H new ATOM 0 HB2 MET A 127 0.122 7.316 3.232 1.00 14.10 H new ATOM 0 HB3 MET A 127 -1.282 7.142 4.266 1.00 14.10 H new ATOM 0 HG2 MET A 127 -1.493 8.991 1.914 1.00 52.33 H new ATOM 0 HG3 MET A 127 -1.474 7.266 1.604 1.00 52.33 H new ATOM 0 HE1 MET A 127 -4.323 5.700 2.821 1.00 64.04 H new ATOM 0 HE2 MET A 127 -2.598 5.742 3.259 1.00 64.04 H new ATOM 0 HE3 MET A 127 -3.829 6.242 4.442 1.00 64.04 H new ATOM 660 N GLU A 128 -0.229 8.222 6.528 1.00 32.32 N ATOM 661 CA GLU A 128 0.455 7.876 7.768 1.00 62.12 C ATOM 662 C GLU A 128 0.397 6.372 8.021 1.00 43.34 C ATOM 663 O GLU A 128 -0.648 5.830 8.379 1.00 13.20 O ATOM 664 CB GLU A 128 -0.167 8.627 8.948 1.00 64.05 C ATOM 665 CG GLU A 128 0.297 8.122 10.303 1.00 33.32 C ATOM 666 CD GLU A 128 0.742 9.242 11.222 1.00 15.23 C ATOM 667 OE1 GLU A 128 0.036 10.270 11.290 1.00 35.34 O ATOM 668 OE2 GLU A 128 1.796 9.091 11.874 1.00 12.24 O ATOM 0 H GLU A 128 -1.220 7.981 6.512 1.00 32.32 H new ATOM 0 HA GLU A 128 1.500 8.170 7.670 1.00 62.12 H new ATOM 0 HB2 GLU A 128 0.075 9.686 8.862 1.00 64.05 H new ATOM 0 HB3 GLU A 128 -1.252 8.542 8.890 1.00 64.05 H new ATOM 0 HG2 GLU A 128 -0.513 7.568 10.777 1.00 33.32 H new ATOM 0 HG3 GLU A 128 1.121 7.423 10.163 1.00 33.32 H new ATOM 675 N THR A 129 1.530 5.702 7.830 1.00 11.44 N ATOM 676 CA THR A 129 1.609 4.261 8.035 1.00 3.13 C ATOM 677 C THR A 129 2.127 3.932 9.431 1.00 60.12 C ATOM 678 O THR A 129 2.339 4.825 10.251 1.00 33.31 O ATOM 679 CB THR A 129 2.523 3.595 6.990 1.00 31.43 C ATOM 680 OG1 THR A 129 3.894 3.891 7.278 1.00 43.54 O ATOM 681 CG2 THR A 129 2.180 4.072 5.587 1.00 34.41 C ATOM 0 H THR A 129 2.405 6.135 7.534 1.00 11.44 H new ATOM 0 HA THR A 129 0.598 3.870 7.924 1.00 3.13 H new ATOM 0 HB THR A 129 2.366 2.517 7.038 1.00 31.43 H new ATOM 0 HG1 THR A 129 4.405 3.922 6.442 1.00 43.54 H new ATOM 0 HG21 THR A 129 2.839 3.588 4.867 1.00 34.41 H new ATOM 0 HG22 THR A 129 1.145 3.818 5.359 1.00 34.41 H new ATOM 0 HG23 THR A 129 2.310 5.153 5.528 1.00 34.41 H new ATOM 689 N ALA A 130 2.331 2.645 9.693 1.00 35.04 N ATOM 690 CA ALA A 130 2.827 2.198 10.989 1.00 13.23 C ATOM 691 C ALA A 130 4.294 1.794 10.905 1.00 21.12 C ATOM 692 O ALA A 130 5.017 1.830 11.901 1.00 53.42 O ATOM 693 CB ALA A 130 1.987 1.040 11.505 1.00 30.43 C ATOM 0 H ALA A 130 2.160 1.894 9.025 1.00 35.04 H new ATOM 0 HA ALA A 130 2.746 3.030 11.688 1.00 13.23 H new ATOM 0 HB1 ALA A 130 2.369 0.717 12.473 1.00 30.43 H new ATOM 0 HB2 ALA A 130 0.951 1.362 11.612 1.00 30.43 H new ATOM 0 HB3 ALA A 130 2.038 0.211 10.800 1.00 30.43 H new ATOM 699 N GLY A 131 4.730 1.407 9.709 1.00 14.33 N ATOM 700 CA GLY A 131 6.110 1.001 9.518 1.00 11.41 C ATOM 701 C GLY A 131 6.537 -0.077 10.495 1.00 73.12 C ATOM 702 O GLY A 131 7.597 0.021 11.112 1.00 72.03 O ATOM 0 H GLY A 131 4.152 1.368 8.870 1.00 14.33 H new ATOM 0 HA2 GLY A 131 6.241 0.636 8.499 1.00 11.41 H new ATOM 0 HA3 GLY A 131 6.760 1.869 9.632 1.00 11.41 H new ATOM 706 N GLU A 132 5.709 -1.108 10.634 1.00 0.04 N ATOM 707 CA GLU A 132 6.007 -2.208 11.544 1.00 15.44 C ATOM 708 C GLU A 132 6.960 -3.208 10.897 1.00 73.43 C ATOM 709 O GLU A 132 6.551 -4.027 10.072 1.00 2.03 O ATOM 710 CB GLU A 132 4.717 -2.914 11.966 1.00 52.23 C ATOM 711 CG GLU A 132 4.750 -3.446 13.388 1.00 3.24 C ATOM 712 CD GLU A 132 3.393 -3.397 14.062 1.00 0.13 C ATOM 713 OE1 GLU A 132 2.730 -2.342 13.985 1.00 53.33 O ATOM 714 OE2 GLU A 132 2.994 -4.415 14.666 1.00 12.41 O ATOM 0 H GLU A 132 4.828 -1.204 10.129 1.00 0.04 H new ATOM 0 HA GLU A 132 6.491 -1.793 12.428 1.00 15.44 H new ATOM 0 HB2 GLU A 132 3.883 -2.219 11.867 1.00 52.23 H new ATOM 0 HB3 GLU A 132 4.525 -3.741 11.282 1.00 52.23 H new ATOM 0 HG2 GLU A 132 5.110 -4.475 13.378 1.00 3.24 H new ATOM 0 HG3 GLU A 132 5.463 -2.865 13.973 1.00 3.24 H new ATOM 721 N PHE A 133 8.232 -3.136 11.274 1.00 54.42 N ATOM 722 CA PHE A 133 9.244 -4.032 10.729 1.00 73.34 C ATOM 723 C PHE A 133 9.152 -5.412 11.375 1.00 43.01 C ATOM 724 O PHE A 133 9.097 -5.534 12.600 1.00 54.24 O ATOM 725 CB PHE A 133 10.641 -3.448 10.941 1.00 22.33 C ATOM 726 CG PHE A 133 11.046 -3.372 12.386 1.00 73.43 C ATOM 727 CD1 PHE A 133 10.731 -2.260 13.149 1.00 31.42 C ATOM 728 CD2 PHE A 133 11.743 -4.412 12.979 1.00 2.05 C ATOM 729 CE1 PHE A 133 11.101 -2.187 14.479 1.00 32.32 C ATOM 730 CE2 PHE A 133 12.116 -4.345 14.308 1.00 5.35 C ATOM 731 CZ PHE A 133 11.796 -3.231 15.059 1.00 15.01 C ATOM 0 H PHE A 133 8.587 -2.465 11.956 1.00 54.42 H new ATOM 0 HA PHE A 133 9.062 -4.138 9.660 1.00 73.34 H new ATOM 0 HB2 PHE A 133 11.366 -4.056 10.400 1.00 22.33 H new ATOM 0 HB3 PHE A 133 10.678 -2.448 10.509 1.00 22.33 H new ATOM 0 HD1 PHE A 133 10.190 -1.440 12.700 1.00 31.42 H new ATOM 0 HD2 PHE A 133 11.998 -5.285 12.396 1.00 2.05 H new ATOM 0 HE1 PHE A 133 10.847 -1.315 15.064 1.00 32.32 H new ATOM 0 HE2 PHE A 133 12.657 -5.163 14.759 1.00 5.35 H new ATOM 0 HZ PHE A 133 12.088 -3.176 16.097 1.00 15.01 H new ATOM 741 N VAL A 134 9.138 -6.449 10.544 1.00 22.02 N ATOM 742 CA VAL A 134 9.055 -7.820 11.034 1.00 54.24 C ATOM 743 C VAL A 134 10.347 -8.581 10.759 1.00 33.13 C ATOM 744 O VAL A 134 11.305 -8.025 10.222 1.00 43.43 O ATOM 745 CB VAL A 134 7.879 -8.577 10.386 1.00 3.53 C ATOM 746 CG1 VAL A 134 6.552 -8.014 10.869 1.00 53.34 C ATOM 747 CG2 VAL A 134 7.976 -8.511 8.869 1.00 13.13 C ATOM 0 H VAL A 134 9.183 -6.366 9.528 1.00 22.02 H new ATOM 0 HA VAL A 134 8.892 -7.762 12.110 1.00 54.24 H new ATOM 0 HB VAL A 134 7.932 -9.624 10.686 1.00 3.53 H new ATOM 0 HG11 VAL A 134 5.733 -8.560 10.401 1.00 53.34 H new ATOM 0 HG12 VAL A 134 6.485 -8.118 11.952 1.00 53.34 H new ATOM 0 HG13 VAL A 134 6.485 -6.960 10.601 1.00 53.34 H new ATOM 0 HG21 VAL A 134 7.138 -9.050 8.427 1.00 13.13 H new ATOM 0 HG22 VAL A 134 7.947 -7.470 8.548 1.00 13.13 H new ATOM 0 HG23 VAL A 134 8.912 -8.965 8.544 1.00 13.13 H new ATOM 757 N ASP A 135 10.366 -9.856 11.132 1.00 2.12 N ATOM 758 CA ASP A 135 11.541 -10.694 10.926 1.00 20.35 C ATOM 759 C ASP A 135 11.955 -10.699 9.458 1.00 51.21 C ATOM 760 O ASP A 135 13.122 -10.914 9.132 1.00 51.52 O ATOM 761 CB ASP A 135 11.263 -12.124 11.394 1.00 73.02 C ATOM 762 CG ASP A 135 11.752 -12.377 12.806 1.00 40.20 C ATOM 763 OD1 ASP A 135 11.991 -11.392 13.536 1.00 41.40 O ATOM 764 OD2 ASP A 135 11.897 -13.559 13.182 1.00 21.12 O ATOM 0 H ASP A 135 9.582 -10.331 11.578 1.00 2.12 H new ATOM 0 HA ASP A 135 12.359 -10.279 11.515 1.00 20.35 H new ATOM 0 HB2 ASP A 135 10.192 -12.318 11.344 1.00 73.02 H new ATOM 0 HB3 ASP A 135 11.746 -12.826 10.714 1.00 73.02 H new ATOM 769 N ASP A 136 10.990 -10.461 8.577 1.00 42.15 N ATOM 770 CA ASP A 136 11.253 -10.436 7.142 1.00 23.51 C ATOM 771 C ASP A 136 10.156 -9.679 6.400 1.00 4.32 C ATOM 772 O ASP A 136 9.071 -10.209 6.166 1.00 64.31 O ATOM 773 CB ASP A 136 11.363 -11.862 6.598 1.00 2.43 C ATOM 774 CG ASP A 136 12.729 -12.152 6.007 1.00 33.55 C ATOM 775 OD1 ASP A 136 13.699 -12.270 6.785 1.00 74.22 O ATOM 776 OD2 ASP A 136 12.828 -12.261 4.767 1.00 72.11 O ATOM 0 H ASP A 136 10.018 -10.283 8.831 1.00 42.15 H new ATOM 0 HA ASP A 136 12.199 -9.919 6.980 1.00 23.51 H new ATOM 0 HB2 ASP A 136 11.160 -12.571 7.401 1.00 2.43 H new ATOM 0 HB3 ASP A 136 10.600 -12.017 5.835 1.00 2.43 H new ATOM 781 N GLY A 137 10.447 -8.434 6.035 1.00 73.02 N ATOM 782 CA GLY A 137 9.474 -7.624 5.325 1.00 43.13 C ATOM 783 C GLY A 137 8.999 -6.440 6.143 1.00 40.01 C ATOM 784 O GLY A 137 9.443 -6.238 7.274 1.00 51.40 O ATOM 0 H GLY A 137 11.338 -7.972 6.218 1.00 73.02 H new ATOM 0 HA2 GLY A 137 9.914 -7.266 4.394 1.00 43.13 H new ATOM 0 HA3 GLY A 137 8.618 -8.243 5.056 1.00 43.13 H new ATOM 788 N THR A 138 8.093 -5.653 5.571 1.00 20.31 N ATOM 789 CA THR A 138 7.558 -4.482 6.253 1.00 11.32 C ATOM 790 C THR A 138 6.043 -4.403 6.107 1.00 20.04 C ATOM 791 O THR A 138 5.510 -4.524 5.004 1.00 50.32 O ATOM 792 CB THR A 138 8.182 -3.181 5.711 1.00 64.34 C ATOM 793 OG1 THR A 138 9.244 -3.491 4.801 1.00 41.51 O ATOM 794 CG2 THR A 138 8.715 -2.322 6.847 1.00 63.04 C ATOM 0 H THR A 138 7.714 -5.806 4.636 1.00 20.31 H new ATOM 0 HA THR A 138 7.814 -4.588 7.307 1.00 11.32 H new ATOM 0 HB THR A 138 7.406 -2.622 5.188 1.00 64.34 H new ATOM 0 HG1 THR A 138 9.737 -2.673 4.583 1.00 41.51 H new ATOM 0 HG21 THR A 138 9.150 -1.410 6.440 1.00 63.04 H new ATOM 0 HG22 THR A 138 7.899 -2.065 7.522 1.00 63.04 H new ATOM 0 HG23 THR A 138 9.478 -2.875 7.394 1.00 63.04 H new ATOM 802 N GLU A 139 5.354 -4.201 7.226 1.00 65.02 N ATOM 803 CA GLU A 139 3.900 -4.108 7.220 1.00 14.21 C ATOM 804 C GLU A 139 3.446 -2.665 7.427 1.00 31.14 C ATOM 805 O GLU A 139 3.357 -2.186 8.559 1.00 72.22 O ATOM 806 CB GLU A 139 3.304 -5.002 8.310 1.00 64.12 C ATOM 807 CG GLU A 139 3.955 -6.372 8.395 1.00 5.15 C ATOM 808 CD GLU A 139 3.399 -7.213 9.529 1.00 41.34 C ATOM 809 OE1 GLU A 139 3.521 -6.787 10.697 1.00 73.23 O ATOM 810 OE2 GLU A 139 2.844 -8.295 9.249 1.00 50.44 O ATOM 0 H GLU A 139 5.780 -4.099 8.147 1.00 65.02 H new ATOM 0 HA GLU A 139 3.545 -4.447 6.247 1.00 14.21 H new ATOM 0 HB2 GLU A 139 3.403 -4.501 9.273 1.00 64.12 H new ATOM 0 HB3 GLU A 139 2.237 -5.127 8.123 1.00 64.12 H new ATOM 0 HG2 GLU A 139 3.809 -6.899 7.452 1.00 5.15 H new ATOM 0 HG3 GLU A 139 5.030 -6.252 8.530 1.00 5.15 H new ATOM 817 N THR A 140 3.161 -1.976 6.326 1.00 23.14 N ATOM 818 CA THR A 140 2.719 -0.589 6.386 1.00 42.44 C ATOM 819 C THR A 140 1.227 -0.499 6.687 1.00 4.21 C ATOM 820 O THR A 140 0.393 -0.845 5.850 1.00 32.43 O ATOM 821 CB THR A 140 3.010 0.150 5.066 1.00 53.22 C ATOM 822 OG1 THR A 140 3.547 -0.762 4.101 1.00 13.25 O ATOM 823 CG2 THR A 140 3.989 1.293 5.290 1.00 71.43 C ATOM 0 H THR A 140 3.229 -2.357 5.382 1.00 23.14 H new ATOM 0 HA THR A 140 3.278 -0.114 7.192 1.00 42.44 H new ATOM 0 HB THR A 140 2.073 0.563 4.693 1.00 53.22 H new ATOM 0 HG1 THR A 140 2.879 -1.448 3.892 1.00 13.25 H new ATOM 0 HG21 THR A 140 4.179 1.800 4.344 1.00 71.43 H new ATOM 0 HG22 THR A 140 3.565 2.001 6.002 1.00 71.43 H new ATOM 0 HG23 THR A 140 4.925 0.898 5.685 1.00 71.43 H new ATOM 831 N HIS A 141 0.898 -0.032 7.887 1.00 10.13 N ATOM 832 CA HIS A 141 -0.495 0.104 8.299 1.00 44.24 C ATOM 833 C HIS A 141 -0.914 1.571 8.318 1.00 70.33 C ATOM 834 O HIS A 141 -0.521 2.328 9.205 1.00 43.42 O ATOM 835 CB HIS A 141 -0.704 -0.517 9.680 1.00 4.43 C ATOM 836 CG HIS A 141 -0.178 -1.914 9.795 1.00 60.40 C ATOM 837 ND1 HIS A 141 -0.857 -3.016 9.318 1.00 43.30 N ATOM 838 CD2 HIS A 141 0.970 -2.387 10.335 1.00 0.30 C ATOM 839 CE1 HIS A 141 -0.150 -4.105 9.561 1.00 32.31 C ATOM 840 NE2 HIS A 141 0.963 -3.751 10.177 1.00 73.40 N ATOM 0 H HIS A 141 1.576 0.259 8.591 1.00 10.13 H new ATOM 0 HA HIS A 141 -1.116 -0.424 7.575 1.00 44.24 H new ATOM 0 HB2 HIS A 141 -0.217 0.108 10.428 1.00 4.43 H new ATOM 0 HB3 HIS A 141 -1.769 -0.519 9.911 1.00 4.43 H new ATOM 0 HD1 HIS A 141 -1.763 -2.993 8.851 1.00 43.30 H new ATOM 0 HD2 HIS A 141 1.747 -1.801 10.803 1.00 0.30 H new ATOM 0 HE1 HIS A 141 -0.434 -5.114 9.300 1.00 32.31 H new ATOM 848 N PHE A 142 -1.715 1.964 7.333 1.00 53.33 N ATOM 849 CA PHE A 142 -2.186 3.341 7.236 1.00 33.31 C ATOM 850 C PHE A 142 -3.712 3.396 7.252 1.00 41.33 C ATOM 851 O PHE A 142 -4.377 2.696 6.489 1.00 11.20 O ATOM 852 CB PHE A 142 -1.655 3.996 5.959 1.00 13.20 C ATOM 853 CG PHE A 142 -1.820 3.142 4.734 1.00 23.51 C ATOM 854 CD1 PHE A 142 -2.993 3.180 3.999 1.00 13.13 C ATOM 855 CD2 PHE A 142 -0.800 2.300 4.318 1.00 11.42 C ATOM 856 CE1 PHE A 142 -3.148 2.395 2.872 1.00 52.41 C ATOM 857 CE2 PHE A 142 -0.949 1.514 3.192 1.00 1.10 C ATOM 858 CZ PHE A 142 -2.124 1.561 2.469 1.00 72.45 C ATOM 0 H PHE A 142 -2.051 1.349 6.592 1.00 53.33 H new ATOM 0 HA PHE A 142 -1.810 3.889 8.100 1.00 33.31 H new ATOM 0 HB2 PHE A 142 -2.172 4.943 5.804 1.00 13.20 H new ATOM 0 HB3 PHE A 142 -0.598 4.227 6.091 1.00 13.20 H new ATOM 0 HD1 PHE A 142 -3.797 3.831 4.310 1.00 13.13 H new ATOM 0 HD2 PHE A 142 0.121 2.258 4.880 1.00 11.42 H new ATOM 0 HE1 PHE A 142 -4.068 2.434 2.308 1.00 52.41 H new ATOM 0 HE2 PHE A 142 -0.147 0.863 2.877 1.00 1.10 H new ATOM 0 HZ PHE A 142 -2.242 0.946 1.589 1.00 72.45 H new ATOM 868 N SER A 143 -4.258 4.232 8.129 1.00 41.35 N ATOM 869 CA SER A 143 -5.705 4.376 8.249 1.00 21.30 C ATOM 870 C SER A 143 -6.223 5.457 7.306 1.00 64.45 C ATOM 871 O SER A 143 -5.470 6.324 6.862 1.00 31.34 O ATOM 872 CB SER A 143 -6.087 4.715 9.691 1.00 65.12 C ATOM 873 OG SER A 143 -5.746 6.054 10.007 1.00 2.13 O ATOM 0 H SER A 143 -3.721 4.820 8.767 1.00 41.35 H new ATOM 0 HA SER A 143 -6.164 3.427 7.973 1.00 21.30 H new ATOM 0 HB2 SER A 143 -7.158 4.566 9.832 1.00 65.12 H new ATOM 0 HB3 SER A 143 -5.578 4.036 10.375 1.00 65.12 H new ATOM 0 HG SER A 143 -6.002 6.247 10.933 1.00 2.13 H new ATOM 879 N VAL A 144 -7.516 5.399 7.003 1.00 41.23 N ATOM 880 CA VAL A 144 -8.137 6.373 6.113 1.00 33.24 C ATOM 881 C VAL A 144 -9.590 6.624 6.502 1.00 2.40 C ATOM 882 O VAL A 144 -10.450 5.764 6.320 1.00 73.12 O ATOM 883 CB VAL A 144 -8.084 5.907 4.646 1.00 63.12 C ATOM 884 CG1 VAL A 144 -8.760 6.923 3.738 1.00 33.23 C ATOM 885 CG2 VAL A 144 -6.644 5.670 4.215 1.00 43.23 C ATOM 0 H VAL A 144 -8.154 4.688 7.361 1.00 41.23 H new ATOM 0 HA VAL A 144 -7.571 7.299 6.213 1.00 33.24 H new ATOM 0 HB VAL A 144 -8.625 4.964 4.562 1.00 63.12 H new ATOM 0 HG11 VAL A 144 -8.713 6.577 2.706 1.00 33.23 H new ATOM 0 HG12 VAL A 144 -9.803 7.039 4.034 1.00 33.23 H new ATOM 0 HG13 VAL A 144 -8.250 7.883 3.822 1.00 33.23 H new ATOM 0 HG21 VAL A 144 -6.625 5.341 3.176 1.00 43.23 H new ATOM 0 HG22 VAL A 144 -6.078 6.596 4.313 1.00 43.23 H new ATOM 0 HG23 VAL A 144 -6.197 4.903 4.847 1.00 43.23 H new ATOM 895 N GLY A 145 -9.856 7.811 7.040 1.00 32.31 N ATOM 896 CA GLY A 145 -11.206 8.154 7.446 1.00 10.43 C ATOM 897 C GLY A 145 -11.825 7.107 8.351 1.00 25.03 C ATOM 898 O GLY A 145 -11.316 6.840 9.439 1.00 74.33 O ATOM 0 H GLY A 145 -9.161 8.540 7.202 1.00 32.31 H new ATOM 0 HA2 GLY A 145 -11.194 9.114 7.962 1.00 10.43 H new ATOM 0 HA3 GLY A 145 -11.828 8.277 6.560 1.00 10.43 H new ATOM 902 N ASN A 146 -12.926 6.514 7.901 1.00 62.12 N ATOM 903 CA ASN A 146 -13.615 5.492 8.679 1.00 23.40 C ATOM 904 C ASN A 146 -13.399 4.108 8.073 1.00 41.22 C ATOM 905 O ASN A 146 -14.196 3.194 8.285 1.00 61.04 O ATOM 906 CB ASN A 146 -15.112 5.800 8.753 1.00 63.12 C ATOM 907 CG ASN A 146 -15.668 5.635 10.154 1.00 24.23 C ATOM 908 OD1 ASN A 146 -15.312 4.697 10.869 1.00 65.12 O ATOM 909 ND2 ASN A 146 -16.545 6.548 10.555 1.00 61.45 N ATOM 0 H ASN A 146 -13.360 6.724 7.002 1.00 62.12 H new ATOM 0 HA ASN A 146 -13.199 5.497 9.687 1.00 23.40 H new ATOM 0 HB2 ASN A 146 -15.287 6.821 8.413 1.00 63.12 H new ATOM 0 HB3 ASN A 146 -15.650 5.141 8.072 1.00 63.12 H new ATOM 0 HD21 ASN A 146 -16.952 6.489 11.488 1.00 61.45 H new ATOM 0 HD22 ASN A 146 -16.811 7.308 9.930 1.00 61.45 H new ATOM 916 N HIS A 147 -12.315 3.962 7.318 1.00 43.03 N ATOM 917 CA HIS A 147 -11.992 2.690 6.681 1.00 71.24 C ATOM 918 C HIS A 147 -10.731 2.083 7.287 1.00 41.42 C ATOM 919 O HIS A 147 -10.233 2.555 8.310 1.00 70.44 O ATOM 920 CB HIS A 147 -11.808 2.882 5.175 1.00 72.13 C ATOM 921 CG HIS A 147 -12.880 3.713 4.541 1.00 22.32 C ATOM 922 ND1 HIS A 147 -14.212 3.610 4.881 1.00 34.10 N ATOM 923 CD2 HIS A 147 -12.811 4.668 3.584 1.00 25.30 C ATOM 924 CE1 HIS A 147 -14.916 4.464 4.159 1.00 32.41 C ATOM 925 NE2 HIS A 147 -14.090 5.118 3.364 1.00 23.31 N ATOM 0 H HIS A 147 -11.645 4.709 7.132 1.00 43.03 H new ATOM 0 HA HIS A 147 -12.822 2.005 6.853 1.00 71.24 H new ATOM 0 HB2 HIS A 147 -10.841 3.351 4.992 1.00 72.13 H new ATOM 0 HB3 HIS A 147 -11.785 1.905 4.693 1.00 72.13 H new ATOM 0 HD2 HIS A 147 -11.917 5.012 3.086 1.00 25.30 H new ATOM 0 HE1 HIS A 147 -15.986 4.603 4.211 1.00 32.41 H new ATOM 0 HE2 HIS A 147 -14.358 5.840 2.695 1.00 23.31 H new ATOM 933 N ASP A 148 -10.218 1.037 6.649 1.00 30.52 N ATOM 934 CA ASP A 148 -9.015 0.365 7.126 1.00 70.12 C ATOM 935 C ASP A 148 -8.254 -0.274 5.968 1.00 73.53 C ATOM 936 O ASP A 148 -8.779 -1.149 5.277 1.00 45.14 O ATOM 937 CB ASP A 148 -9.375 -0.697 8.164 1.00 21.54 C ATOM 938 CG ASP A 148 -10.455 -1.642 7.676 1.00 21.40 C ATOM 939 OD1 ASP A 148 -11.638 -1.244 7.682 1.00 10.35 O ATOM 940 OD2 ASP A 148 -10.117 -2.780 7.288 1.00 21.55 O ATOM 0 H ASP A 148 -10.616 0.636 5.800 1.00 30.52 H new ATOM 0 HA ASP A 148 -8.372 1.112 7.591 1.00 70.12 H new ATOM 0 HB2 ASP A 148 -8.483 -1.270 8.418 1.00 21.54 H new ATOM 0 HB3 ASP A 148 -9.711 -0.208 9.078 1.00 21.54 H new ATOM 945 N CYS A 149 -7.020 0.168 5.761 1.00 2.51 N ATOM 946 CA CYS A 149 -6.188 -0.359 4.685 1.00 40.41 C ATOM 947 C CYS A 149 -4.732 -0.469 5.127 1.00 72.31 C ATOM 948 O CYS A 149 -4.330 0.126 6.127 1.00 14.13 O ATOM 949 CB CYS A 149 -6.292 0.534 3.447 1.00 21.23 C ATOM 950 SG CYS A 149 -6.403 2.299 3.818 1.00 0.34 S ATOM 0 H CYS A 149 -6.572 0.891 6.324 1.00 2.51 H new ATOM 0 HA CYS A 149 -6.549 -1.357 4.436 1.00 40.41 H new ATOM 0 HB2 CYS A 149 -5.422 0.361 2.813 1.00 21.23 H new ATOM 0 HB3 CYS A 149 -7.169 0.239 2.872 1.00 21.23 H new ATOM 0 HG CYS A 149 -5.219 2.832 3.752 1.00 0.34 H new ATOM 956 N TYR A 150 -3.948 -1.234 4.376 1.00 15.03 N ATOM 957 CA TYR A 150 -2.538 -1.426 4.693 1.00 71.12 C ATOM 958 C TYR A 150 -1.801 -2.074 3.524 1.00 44.54 C ATOM 959 O TYR A 150 -2.360 -2.901 2.805 1.00 33.14 O ATOM 960 CB TYR A 150 -2.388 -2.289 5.946 1.00 44.11 C ATOM 961 CG TYR A 150 -2.727 -3.745 5.723 1.00 62.01 C ATOM 962 CD1 TYR A 150 -4.048 -4.168 5.654 1.00 75.41 C ATOM 963 CD2 TYR A 150 -1.725 -4.699 5.583 1.00 52.12 C ATOM 964 CE1 TYR A 150 -4.363 -5.498 5.451 1.00 43.42 C ATOM 965 CE2 TYR A 150 -2.030 -6.030 5.378 1.00 13.20 C ATOM 966 CZ TYR A 150 -3.351 -6.425 5.313 1.00 42.35 C ATOM 967 OH TYR A 150 -3.659 -7.751 5.111 1.00 42.33 O ATOM 0 H TYR A 150 -4.265 -1.731 3.544 1.00 15.03 H new ATOM 0 HA TYR A 150 -2.097 -0.447 4.880 1.00 71.12 H new ATOM 0 HB2 TYR A 150 -1.362 -2.215 6.307 1.00 44.11 H new ATOM 0 HB3 TYR A 150 -3.032 -1.891 6.730 1.00 44.11 H new ATOM 0 HD1 TYR A 150 -4.843 -3.445 5.761 1.00 75.41 H new ATOM 0 HD2 TYR A 150 -0.690 -4.394 5.636 1.00 52.12 H new ATOM 0 HE1 TYR A 150 -5.396 -5.810 5.401 1.00 43.42 H new ATOM 0 HE2 TYR A 150 -1.240 -6.758 5.269 1.00 13.20 H new ATOM 0 HH TYR A 150 -4.602 -7.833 4.855 1.00 42.33 H new ATOM 977 N ILE A 151 -0.542 -1.690 3.342 1.00 5.11 N ATOM 978 CA ILE A 151 0.274 -2.234 2.264 1.00 13.30 C ATOM 979 C ILE A 151 1.165 -3.366 2.765 1.00 72.12 C ATOM 980 O ILE A 151 2.097 -3.142 3.537 1.00 63.44 O ATOM 981 CB ILE A 151 1.157 -1.147 1.622 1.00 1.44 C ATOM 982 CG1 ILE A 151 0.343 -0.321 0.625 1.00 70.33 C ATOM 983 CG2 ILE A 151 2.361 -1.777 0.939 1.00 63.43 C ATOM 984 CD1 ILE A 151 1.081 0.891 0.099 1.00 34.21 C ATOM 0 H ILE A 151 -0.065 -1.004 3.927 1.00 5.11 H new ATOM 0 HA ILE A 151 -0.414 -2.622 1.513 1.00 13.30 H new ATOM 0 HB ILE A 151 1.517 -0.482 2.407 1.00 1.44 H new ATOM 0 HG12 ILE A 151 0.059 -0.956 -0.214 1.00 70.33 H new ATOM 0 HG13 ILE A 151 -0.580 0.005 1.104 1.00 70.33 H new ATOM 0 HG21 ILE A 151 2.975 -0.996 0.490 1.00 63.43 H new ATOM 0 HG22 ILE A 151 2.951 -2.325 1.674 1.00 63.43 H new ATOM 0 HG23 ILE A 151 2.021 -2.462 0.162 1.00 63.43 H new ATOM 0 HD11 ILE A 151 0.443 1.429 -0.603 1.00 34.21 H new ATOM 0 HD12 ILE A 151 1.341 1.547 0.929 1.00 34.21 H new ATOM 0 HD13 ILE A 151 1.990 0.571 -0.409 1.00 34.21 H new ATOM 996 N LYS A 152 0.872 -4.583 2.319 1.00 32.21 N ATOM 997 CA LYS A 152 1.646 -5.752 2.718 1.00 31.21 C ATOM 998 C LYS A 152 2.927 -5.862 1.897 1.00 14.21 C ATOM 999 O LYS A 152 2.891 -6.211 0.717 1.00 15.30 O ATOM 1000 CB LYS A 152 0.811 -7.024 2.554 1.00 54.43 C ATOM 1001 CG LYS A 152 0.796 -7.906 3.790 1.00 73.22 C ATOM 1002 CD LYS A 152 -0.335 -8.919 3.738 1.00 22.04 C ATOM 1003 CE LYS A 152 -0.103 -10.063 4.714 1.00 54.14 C ATOM 1004 NZ LYS A 152 -1.280 -10.283 5.600 1.00 53.31 N ATOM 0 H LYS A 152 0.103 -4.785 1.680 1.00 32.21 H new ATOM 0 HA LYS A 152 1.916 -5.636 3.768 1.00 31.21 H new ATOM 0 HB2 LYS A 152 -0.213 -6.746 2.304 1.00 54.43 H new ATOM 0 HB3 LYS A 152 1.200 -7.598 1.713 1.00 54.43 H new ATOM 0 HG2 LYS A 152 1.749 -8.428 3.878 1.00 73.22 H new ATOM 0 HG3 LYS A 152 0.689 -7.285 4.680 1.00 73.22 H new ATOM 0 HD2 LYS A 152 -1.278 -8.425 3.972 1.00 22.04 H new ATOM 0 HD3 LYS A 152 -0.424 -9.315 2.726 1.00 22.04 H new ATOM 0 HE2 LYS A 152 0.110 -10.977 4.159 1.00 54.14 H new ATOM 0 HE3 LYS A 152 0.775 -9.848 5.323 1.00 54.14 H new ATOM 0 HZ1 LYS A 152 -1.083 -11.070 6.250 1.00 53.31 H new ATOM 0 HZ2 LYS A 152 -1.468 -9.420 6.149 1.00 53.31 H new ATOM 0 HZ3 LYS A 152 -2.113 -10.513 5.021 1.00 53.31 H new ATOM 1018 N ALA A 153 4.058 -5.564 2.529 1.00 30.34 N ATOM 1019 CA ALA A 153 5.349 -5.634 1.858 1.00 1.33 C ATOM 1020 C ALA A 153 6.100 -6.905 2.242 1.00 2.34 C ATOM 1021 O ALA A 153 5.987 -7.388 3.369 1.00 60.12 O ATOM 1022 CB ALA A 153 6.183 -4.405 2.189 1.00 73.10 C ATOM 0 H ALA A 153 4.105 -5.272 3.505 1.00 30.34 H new ATOM 0 HA ALA A 153 5.171 -5.660 0.783 1.00 1.33 H new ATOM 0 HB1 ALA A 153 7.145 -4.471 1.681 1.00 73.10 H new ATOM 0 HB2 ALA A 153 5.658 -3.509 1.858 1.00 73.10 H new ATOM 0 HB3 ALA A 153 6.344 -4.354 3.266 1.00 73.10 H new ATOM 1028 N VAL A 154 6.867 -7.442 1.299 1.00 45.32 N ATOM 1029 CA VAL A 154 7.638 -8.656 1.540 1.00 53.44 C ATOM 1030 C VAL A 154 8.999 -8.587 0.856 1.00 4.35 C ATOM 1031 O VAL A 154 9.100 -8.223 -0.315 1.00 11.33 O ATOM 1032 CB VAL A 154 6.887 -9.904 1.040 1.00 61.12 C ATOM 1033 CG1 VAL A 154 7.605 -11.171 1.479 1.00 21.33 C ATOM 1034 CG2 VAL A 154 5.450 -9.896 1.537 1.00 62.32 C ATOM 0 H VAL A 154 6.971 -7.056 0.361 1.00 45.32 H new ATOM 0 HA VAL A 154 7.780 -8.733 2.618 1.00 53.44 H new ATOM 0 HB VAL A 154 6.870 -9.884 -0.050 1.00 61.12 H new ATOM 0 HG11 VAL A 154 7.060 -12.042 1.117 1.00 21.33 H new ATOM 0 HG12 VAL A 154 8.615 -11.178 1.068 1.00 21.33 H new ATOM 0 HG13 VAL A 154 7.656 -11.202 2.567 1.00 21.33 H new ATOM 0 HG21 VAL A 154 4.935 -10.785 1.174 1.00 62.32 H new ATOM 0 HG22 VAL A 154 5.442 -9.891 2.627 1.00 62.32 H new ATOM 0 HG23 VAL A 154 4.942 -9.006 1.167 1.00 62.32 H new ATOM 1044 N SER A 155 10.044 -8.940 1.597 1.00 24.15 N ATOM 1045 CA SER A 155 11.402 -8.916 1.065 1.00 50.40 C ATOM 1046 C SER A 155 11.861 -10.320 0.682 1.00 15.34 C ATOM 1047 O SER A 155 11.579 -11.289 1.385 1.00 60.42 O ATOM 1048 CB SER A 155 12.365 -8.314 2.091 1.00 71.52 C ATOM 1049 OG SER A 155 13.035 -9.329 2.817 1.00 44.34 O ATOM 0 H SER A 155 9.977 -9.246 2.568 1.00 24.15 H new ATOM 0 HA SER A 155 11.403 -8.295 0.169 1.00 50.40 H new ATOM 0 HB2 SER A 155 13.095 -7.683 1.583 1.00 71.52 H new ATOM 0 HB3 SER A 155 11.814 -7.673 2.779 1.00 71.52 H new ATOM 0 HG SER A 155 13.645 -8.919 3.465 1.00 44.34 H new ATOM 1055 N SER A 156 12.570 -10.419 -0.437 1.00 63.10 N ATOM 1056 CA SER A 156 13.066 -11.704 -0.918 1.00 2.25 C ATOM 1057 C SER A 156 14.532 -11.602 -1.324 1.00 24.14 C ATOM 1058 O SER A 156 14.944 -10.642 -1.973 1.00 35.01 O ATOM 1059 CB SER A 156 12.229 -12.187 -2.103 1.00 15.03 C ATOM 1060 OG SER A 156 10.973 -11.531 -2.141 1.00 71.10 O ATOM 0 H SER A 156 12.814 -9.625 -1.028 1.00 63.10 H new ATOM 0 HA SER A 156 12.981 -12.425 -0.105 1.00 2.25 H new ATOM 0 HB2 SER A 156 12.768 -12.002 -3.032 1.00 15.03 H new ATOM 0 HB3 SER A 156 12.078 -13.264 -2.031 1.00 15.03 H new ATOM 0 HG SER A 156 10.457 -11.856 -2.908 1.00 71.10 H new ATOM 1066 N GLY A 157 15.318 -12.603 -0.937 1.00 1.30 N ATOM 1067 CA GLY A 157 16.731 -12.609 -1.270 1.00 0.53 C ATOM 1068 C GLY A 157 17.602 -13.011 -0.095 1.00 73.02 C ATOM 1069 O GLY A 157 17.100 -13.481 0.926 1.00 21.22 O ATOM 0 H GLY A 157 15.001 -13.410 -0.399 1.00 1.30 H new ATOM 0 HA2 GLY A 157 16.903 -13.297 -2.098 1.00 0.53 H new ATOM 0 HA3 GLY A 157 17.024 -11.617 -1.613 1.00 0.53 H new ATOM 1073 N LYS A 158 18.909 -12.830 -0.241 1.00 43.43 N ATOM 1074 CA LYS A 158 19.853 -13.177 0.815 1.00 12.20 C ATOM 1075 C LYS A 158 19.626 -12.315 2.052 1.00 4.30 C ATOM 1076 O LYS A 158 19.901 -12.740 3.174 1.00 12.34 O ATOM 1077 CB LYS A 158 21.290 -13.007 0.318 1.00 22.21 C ATOM 1078 CG LYS A 158 21.979 -14.319 -0.015 1.00 34.11 C ATOM 1079 CD LYS A 158 23.146 -14.111 -0.964 1.00 73.52 C ATOM 1080 CE LYS A 158 23.792 -15.433 -1.351 1.00 21.32 C ATOM 1081 NZ LYS A 158 25.266 -15.302 -1.517 1.00 21.44 N ATOM 0 H LYS A 158 19.340 -12.444 -1.081 1.00 43.43 H new ATOM 0 HA LYS A 158 19.690 -14.220 1.086 1.00 12.20 H new ATOM 0 HB2 LYS A 158 21.286 -12.373 -0.569 1.00 22.21 H new ATOM 0 HB3 LYS A 158 21.869 -12.485 1.080 1.00 22.21 H new ATOM 0 HG2 LYS A 158 22.334 -14.787 0.903 1.00 34.11 H new ATOM 0 HG3 LYS A 158 21.261 -15.004 -0.465 1.00 34.11 H new ATOM 0 HD2 LYS A 158 22.800 -13.598 -1.861 1.00 73.52 H new ATOM 0 HD3 LYS A 158 23.888 -13.466 -0.494 1.00 73.52 H new ATOM 0 HE2 LYS A 158 23.578 -16.180 -0.586 1.00 21.32 H new ATOM 0 HE3 LYS A 158 23.352 -15.794 -2.281 1.00 21.32 H new ATOM 0 HZ1 LYS A 158 25.669 -16.224 -1.781 1.00 21.44 H new ATOM 0 HZ2 LYS A 158 25.471 -14.608 -2.264 1.00 21.44 H new ATOM 0 HZ3 LYS A 158 25.689 -14.982 -0.622 1.00 21.44 H new ATOM 1095 N ARG A 159 19.122 -11.104 1.840 1.00 50.41 N ATOM 1096 CA ARG A 159 18.858 -10.183 2.939 1.00 4.05 C ATOM 1097 C ARG A 159 17.894 -9.082 2.507 1.00 75.20 C ATOM 1098 O ARG A 159 16.932 -8.773 3.210 1.00 55.42 O ATOM 1099 CB ARG A 159 20.165 -9.564 3.439 1.00 42.30 C ATOM 1100 CG ARG A 159 20.597 -10.072 4.804 1.00 11.14 C ATOM 1101 CD ARG A 159 20.628 -8.951 5.832 1.00 62.14 C ATOM 1102 NE ARG A 159 21.563 -9.232 6.919 1.00 52.43 N ATOM 1103 CZ ARG A 159 21.290 -10.047 7.930 1.00 3.43 C ATOM 1104 NH1 ARG A 159 20.117 -10.660 7.995 1.00 11.00 N ATOM 1105 NH2 ARG A 159 22.193 -10.250 8.882 1.00 63.34 N ATOM 0 H ARG A 159 18.888 -10.738 0.917 1.00 50.41 H new ATOM 0 HA ARG A 159 18.397 -10.747 3.750 1.00 4.05 H new ATOM 0 HB2 ARG A 159 20.955 -9.772 2.717 1.00 42.30 H new ATOM 0 HB3 ARG A 159 20.050 -8.481 3.484 1.00 42.30 H new ATOM 0 HG2 ARG A 159 19.913 -10.853 5.136 1.00 11.14 H new ATOM 0 HG3 ARG A 159 21.585 -10.525 4.729 1.00 11.14 H new ATOM 0 HD2 ARG A 159 20.910 -8.018 5.343 1.00 62.14 H new ATOM 0 HD3 ARG A 159 19.628 -8.807 6.242 1.00 62.14 H new ATOM 0 HE ARG A 159 22.476 -8.777 6.900 1.00 52.43 H new ATOM 0 HH11 ARG A 159 19.420 -10.506 7.266 1.00 11.00 H new ATOM 0 HH12 ARG A 159 19.911 -11.286 8.774 1.00 11.00 H new ATOM 0 HH21 ARG A 159 23.097 -9.779 8.836 1.00 63.34 H new ATOM 0 HH22 ARG A 159 21.983 -10.876 9.659 1.00 63.34 H new ATOM 1119 N LYS A 160 18.159 -8.494 1.345 1.00 1.21 N ATOM 1120 CA LYS A 160 17.315 -7.428 0.817 1.00 42.42 C ATOM 1121 C LYS A 160 17.567 -7.222 -0.673 1.00 45.32 C ATOM 1122 O LYS A 160 17.896 -6.119 -1.110 1.00 12.14 O ATOM 1123 CB LYS A 160 17.573 -6.123 1.574 1.00 41.11 C ATOM 1124 CG LYS A 160 19.036 -5.714 1.600 1.00 54.23 C ATOM 1125 CD LYS A 160 19.223 -4.350 2.245 1.00 34.11 C ATOM 1126 CE LYS A 160 20.630 -3.818 2.024 1.00 2.42 C ATOM 1127 NZ LYS A 160 20.853 -2.529 2.736 1.00 15.21 N ATOM 0 H LYS A 160 18.952 -8.738 0.751 1.00 1.21 H new ATOM 0 HA LYS A 160 16.274 -7.721 0.954 1.00 42.42 H new ATOM 0 HB2 LYS A 160 16.989 -5.325 1.115 1.00 41.11 H new ATOM 0 HB3 LYS A 160 17.216 -6.230 2.598 1.00 41.11 H new ATOM 0 HG2 LYS A 160 19.613 -6.459 2.148 1.00 54.23 H new ATOM 0 HG3 LYS A 160 19.427 -5.693 0.583 1.00 54.23 H new ATOM 0 HD2 LYS A 160 18.498 -3.648 1.832 1.00 34.11 H new ATOM 0 HD3 LYS A 160 19.024 -4.421 3.314 1.00 34.11 H new ATOM 0 HE2 LYS A 160 21.355 -4.554 2.370 1.00 2.42 H new ATOM 0 HE3 LYS A 160 20.802 -3.678 0.957 1.00 2.42 H new ATOM 0 HZ1 LYS A 160 21.824 -2.199 2.561 1.00 15.21 H new ATOM 0 HZ2 LYS A 160 20.178 -1.819 2.388 1.00 15.21 H new ATOM 0 HZ3 LYS A 160 20.714 -2.668 3.757 1.00 15.21 H new ATOM 1141 N GLU A 161 17.411 -8.291 -1.449 1.00 3.40 N ATOM 1142 CA GLU A 161 17.621 -8.226 -2.890 1.00 44.42 C ATOM 1143 C GLU A 161 16.455 -7.525 -3.579 1.00 34.42 C ATOM 1144 O GLU A 161 16.641 -6.541 -4.293 1.00 62.22 O ATOM 1145 CB GLU A 161 17.799 -9.632 -3.466 1.00 23.24 C ATOM 1146 CG GLU A 161 18.393 -9.646 -4.865 1.00 11.13 C ATOM 1147 CD GLU A 161 17.394 -10.083 -5.918 1.00 15.42 C ATOM 1148 OE1 GLU A 161 17.014 -11.272 -5.920 1.00 30.05 O ATOM 1149 OE2 GLU A 161 16.990 -9.234 -6.742 1.00 22.15 O ATOM 0 H GLU A 161 17.140 -9.212 -1.103 1.00 3.40 H new ATOM 0 HA GLU A 161 18.528 -7.649 -3.073 1.00 44.42 H new ATOM 0 HB2 GLU A 161 18.442 -10.209 -2.802 1.00 23.24 H new ATOM 0 HB3 GLU A 161 16.831 -10.132 -3.486 1.00 23.24 H new ATOM 0 HG2 GLU A 161 18.761 -8.649 -5.110 1.00 11.13 H new ATOM 0 HG3 GLU A 161 19.252 -10.316 -4.884 1.00 11.13 H new ATOM 1156 N GLY A 162 15.249 -8.042 -3.360 1.00 2.51 N ATOM 1157 CA GLY A 162 14.069 -7.454 -3.967 1.00 33.33 C ATOM 1158 C GLY A 162 12.892 -7.400 -3.012 1.00 74.30 C ATOM 1159 O GLY A 162 12.677 -8.325 -2.229 1.00 75.12 O ATOM 0 H GLY A 162 15.069 -8.857 -2.774 1.00 2.51 H new ATOM 0 HA2 GLY A 162 14.303 -6.445 -4.307 1.00 33.33 H new ATOM 0 HA3 GLY A 162 13.791 -8.032 -4.849 1.00 33.33 H new ATOM 1163 N ILE A 163 12.129 -6.313 -3.077 1.00 22.35 N ATOM 1164 CA ILE A 163 10.969 -6.143 -2.212 1.00 5.34 C ATOM 1165 C ILE A 163 9.711 -5.864 -3.026 1.00 43.25 C ATOM 1166 O ILE A 163 9.738 -5.084 -3.980 1.00 43.11 O ATOM 1167 CB ILE A 163 11.181 -4.995 -1.206 1.00 23.41 C ATOM 1168 CG1 ILE A 163 12.418 -5.264 -0.347 1.00 12.44 C ATOM 1169 CG2 ILE A 163 9.948 -4.824 -0.330 1.00 40.05 C ATOM 1170 CD1 ILE A 163 12.758 -4.128 0.594 1.00 53.24 C ATOM 0 H ILE A 163 12.294 -5.538 -3.719 1.00 22.35 H new ATOM 0 HA ILE A 163 10.844 -7.077 -1.665 1.00 5.34 H new ATOM 0 HB ILE A 163 11.340 -4.070 -1.760 1.00 23.41 H new ATOM 0 HG12 ILE A 163 12.256 -6.171 0.235 1.00 12.44 H new ATOM 0 HG13 ILE A 163 13.270 -5.452 -1.000 1.00 12.44 H new ATOM 0 HG21 ILE A 163 10.113 -4.010 0.375 1.00 40.05 H new ATOM 0 HG22 ILE A 163 9.086 -4.593 -0.956 1.00 40.05 H new ATOM 0 HG23 ILE A 163 9.761 -5.747 0.219 1.00 40.05 H new ATOM 0 HD11 ILE A 163 13.645 -4.387 1.172 1.00 53.24 H new ATOM 0 HD12 ILE A 163 12.952 -3.224 0.017 1.00 53.24 H new ATOM 0 HD13 ILE A 163 11.922 -3.954 1.272 1.00 53.24 H new ATOM 1182 N ILE A 164 8.611 -6.504 -2.645 1.00 5.51 N ATOM 1183 CA ILE A 164 7.342 -6.322 -3.340 1.00 5.32 C ATOM 1184 C ILE A 164 6.249 -5.871 -2.377 1.00 5.12 C ATOM 1185 O ILE A 164 6.068 -6.454 -1.308 1.00 20.30 O ATOM 1186 CB ILE A 164 6.893 -7.618 -4.039 1.00 13.31 C ATOM 1187 CG1 ILE A 164 7.986 -8.119 -4.985 1.00 22.23 C ATOM 1188 CG2 ILE A 164 5.594 -7.387 -4.798 1.00 3.45 C ATOM 1189 CD1 ILE A 164 8.470 -9.515 -4.662 1.00 74.40 C ATOM 0 H ILE A 164 8.572 -7.153 -1.859 1.00 5.51 H new ATOM 0 HA ILE A 164 7.501 -5.550 -4.093 1.00 5.32 H new ATOM 0 HB ILE A 164 6.718 -8.381 -3.280 1.00 13.31 H new ATOM 0 HG12 ILE A 164 7.607 -8.102 -6.007 1.00 22.23 H new ATOM 0 HG13 ILE A 164 8.831 -7.432 -4.947 1.00 22.23 H new ATOM 0 HG21 ILE A 164 5.289 -8.312 -5.287 1.00 3.45 H new ATOM 0 HG22 ILE A 164 4.817 -7.071 -4.102 1.00 3.45 H new ATOM 0 HG23 ILE A 164 5.745 -6.612 -5.549 1.00 3.45 H new ATOM 0 HD11 ILE A 164 9.244 -9.805 -5.373 1.00 74.40 H new ATOM 0 HD12 ILE A 164 8.879 -9.534 -3.652 1.00 74.40 H new ATOM 0 HD13 ILE A 164 7.636 -10.214 -4.728 1.00 74.40 H new ATOM 1201 N HIS A 165 5.520 -4.829 -2.764 1.00 1.21 N ATOM 1202 CA HIS A 165 4.441 -4.300 -1.936 1.00 62.22 C ATOM 1203 C HIS A 165 3.080 -4.696 -2.501 1.00 44.32 C ATOM 1204 O HIS A 165 2.899 -4.774 -3.716 1.00 31.32 O ATOM 1205 CB HIS A 165 4.543 -2.778 -1.840 1.00 41.20 C ATOM 1206 CG HIS A 165 5.942 -2.283 -1.638 1.00 42.34 C ATOM 1207 ND1 HIS A 165 6.735 -1.825 -2.670 1.00 71.04 N ATOM 1208 CD2 HIS A 165 6.691 -2.173 -0.515 1.00 74.44 C ATOM 1209 CE1 HIS A 165 7.910 -1.457 -2.191 1.00 12.32 C ATOM 1210 NE2 HIS A 165 7.908 -1.658 -0.886 1.00 21.43 N ATOM 0 H HIS A 165 5.656 -4.334 -3.645 1.00 1.21 H new ATOM 0 HA HIS A 165 4.539 -4.727 -0.938 1.00 62.22 H new ATOM 0 HB2 HIS A 165 4.138 -2.337 -2.751 1.00 41.20 H new ATOM 0 HB3 HIS A 165 3.921 -2.432 -1.014 1.00 41.20 H new ATOM 0 HD2 HIS A 165 6.387 -2.441 0.486 1.00 74.44 H new ATOM 0 HE1 HIS A 165 8.732 -1.060 -2.768 1.00 12.32 H new ATOM 0 HE2 HIS A 165 8.685 -1.462 -0.255 1.00 21.43 H new ATOM 1218 N THR A 166 2.125 -4.945 -1.609 1.00 60.14 N ATOM 1219 CA THR A 166 0.781 -5.335 -2.018 1.00 42.22 C ATOM 1220 C THR A 166 -0.275 -4.606 -1.196 1.00 50.22 C ATOM 1221 O THR A 166 -0.504 -4.931 -0.031 1.00 23.15 O ATOM 1222 CB THR A 166 0.569 -6.853 -1.875 1.00 45.24 C ATOM 1223 OG1 THR A 166 1.695 -7.446 -1.217 1.00 72.14 O ATOM 1224 CG2 THR A 166 0.372 -7.502 -3.237 1.00 5.02 C ATOM 0 H THR A 166 2.258 -4.883 -0.600 1.00 60.14 H new ATOM 0 HA THR A 166 0.676 -5.059 -3.067 1.00 42.22 H new ATOM 0 HB THR A 166 -0.328 -7.017 -1.278 1.00 45.24 H new ATOM 0 HG1 THR A 166 1.812 -7.035 -0.335 1.00 72.14 H new ATOM 0 HG21 THR A 166 0.224 -8.575 -3.111 1.00 5.02 H new ATOM 0 HG22 THR A 166 -0.503 -7.070 -3.723 1.00 5.02 H new ATOM 0 HG23 THR A 166 1.253 -7.327 -3.854 1.00 5.02 H new ATOM 1232 N LEU A 167 -0.918 -3.618 -1.810 1.00 71.03 N ATOM 1233 CA LEU A 167 -1.953 -2.843 -1.135 1.00 71.22 C ATOM 1234 C LEU A 167 -3.145 -3.724 -0.774 1.00 43.02 C ATOM 1235 O LEU A 167 -3.607 -4.525 -1.588 1.00 43.11 O ATOM 1236 CB LEU A 167 -2.411 -1.685 -2.024 1.00 34.13 C ATOM 1237 CG LEU A 167 -3.718 -1.003 -1.617 1.00 30.25 C ATOM 1238 CD1 LEU A 167 -3.671 -0.589 -0.154 1.00 2.50 C ATOM 1239 CD2 LEU A 167 -3.991 0.202 -2.506 1.00 65.11 C ATOM 0 H LEU A 167 -0.741 -3.335 -2.774 1.00 71.03 H new ATOM 0 HA LEU A 167 -1.530 -2.441 -0.214 1.00 71.22 H new ATOM 0 HB2 LEU A 167 -1.622 -0.933 -2.042 1.00 34.13 H new ATOM 0 HB3 LEU A 167 -2.520 -2.057 -3.043 1.00 34.13 H new ATOM 0 HG LEU A 167 -4.533 -1.716 -1.746 1.00 30.25 H new ATOM 0 HD11 LEU A 167 -4.609 -0.105 0.118 1.00 2.50 H new ATOM 0 HD12 LEU A 167 -3.524 -1.471 0.469 1.00 2.50 H new ATOM 0 HD13 LEU A 167 -2.846 0.107 0.001 1.00 2.50 H new ATOM 0 HD21 LEU A 167 -4.925 0.675 -2.202 1.00 65.11 H new ATOM 0 HD22 LEU A 167 -3.174 0.917 -2.410 1.00 65.11 H new ATOM 0 HD23 LEU A 167 -4.070 -0.122 -3.544 1.00 65.11 H new ATOM 1251 N ILE A 168 -3.640 -3.569 0.449 1.00 41.13 N ATOM 1252 CA ILE A 168 -4.780 -4.348 0.917 1.00 41.53 C ATOM 1253 C ILE A 168 -5.776 -3.469 1.665 1.00 50.31 C ATOM 1254 O ILE A 168 -5.541 -3.083 2.811 1.00 72.55 O ATOM 1255 CB ILE A 168 -4.335 -5.500 1.837 1.00 54.22 C ATOM 1256 CG1 ILE A 168 -3.287 -6.366 1.136 1.00 63.14 C ATOM 1257 CG2 ILE A 168 -5.534 -6.340 2.250 1.00 3.33 C ATOM 1258 CD1 ILE A 168 -3.005 -7.670 1.849 1.00 70.04 C ATOM 0 H ILE A 168 -3.269 -2.911 1.134 1.00 41.13 H new ATOM 0 HA ILE A 168 -5.261 -4.766 0.033 1.00 41.53 H new ATOM 0 HB ILE A 168 -3.886 -5.076 2.735 1.00 54.22 H new ATOM 0 HG12 ILE A 168 -3.625 -6.581 0.122 1.00 63.14 H new ATOM 0 HG13 ILE A 168 -2.359 -5.801 1.050 1.00 63.14 H new ATOM 0 HG21 ILE A 168 -5.204 -7.150 2.900 1.00 3.33 H new ATOM 0 HG22 ILE A 168 -6.250 -5.715 2.784 1.00 3.33 H new ATOM 0 HG23 ILE A 168 -6.009 -6.758 1.362 1.00 3.33 H new ATOM 0 HD11 ILE A 168 -2.253 -8.232 1.296 1.00 70.04 H new ATOM 0 HD12 ILE A 168 -2.637 -7.463 2.854 1.00 70.04 H new ATOM 0 HD13 ILE A 168 -3.922 -8.256 1.912 1.00 70.04 H new ATOM 1270 N VAL A 169 -6.890 -3.158 1.011 1.00 41.22 N ATOM 1271 CA VAL A 169 -7.924 -2.327 1.616 1.00 72.23 C ATOM 1272 C VAL A 169 -9.196 -3.130 1.868 1.00 54.31 C ATOM 1273 O VAL A 169 -9.641 -3.892 1.011 1.00 34.10 O ATOM 1274 CB VAL A 169 -8.264 -1.116 0.726 1.00 4.43 C ATOM 1275 CG1 VAL A 169 -9.265 -0.206 1.421 1.00 71.21 C ATOM 1276 CG2 VAL A 169 -6.999 -0.352 0.363 1.00 0.43 C ATOM 0 H VAL A 169 -7.100 -3.469 0.062 1.00 41.22 H new ATOM 0 HA VAL A 169 -7.527 -1.970 2.566 1.00 72.23 H new ATOM 0 HB VAL A 169 -8.720 -1.480 -0.195 1.00 4.43 H new ATOM 0 HG11 VAL A 169 -9.493 0.643 0.777 1.00 71.21 H new ATOM 0 HG12 VAL A 169 -10.180 -0.761 1.626 1.00 71.21 H new ATOM 0 HG13 VAL A 169 -8.840 0.153 2.359 1.00 71.21 H new ATOM 0 HG21 VAL A 169 -7.256 0.500 -0.266 1.00 0.43 H new ATOM 0 HG22 VAL A 169 -6.514 0.002 1.273 1.00 0.43 H new ATOM 0 HG23 VAL A 169 -6.319 -1.010 -0.178 1.00 0.43 H new ATOM 1286 N ASP A 170 -9.776 -2.952 3.050 1.00 65.13 N ATOM 1287 CA ASP A 170 -10.998 -3.658 3.416 1.00 34.42 C ATOM 1288 C ASP A 170 -10.759 -5.163 3.474 1.00 22.31 C ATOM 1289 O ASP A 170 -11.656 -5.956 3.189 1.00 2.23 O ATOM 1290 CB ASP A 170 -12.112 -3.345 2.416 1.00 42.33 C ATOM 1291 CG ASP A 170 -13.448 -3.109 3.093 1.00 73.00 C ATOM 1292 OD1 ASP A 170 -14.051 -4.091 3.573 1.00 24.35 O ATOM 1293 OD2 ASP A 170 -13.892 -1.943 3.141 1.00 5.11 O ATOM 0 H ASP A 170 -9.419 -2.325 3.771 1.00 65.13 H new ATOM 0 HA ASP A 170 -11.302 -3.318 4.406 1.00 34.42 H new ATOM 0 HB2 ASP A 170 -11.840 -2.462 1.838 1.00 42.33 H new ATOM 0 HB3 ASP A 170 -12.206 -4.171 1.711 1.00 42.33 H new ATOM 1298 N ASN A 171 -9.542 -5.550 3.844 1.00 23.34 N ATOM 1299 CA ASN A 171 -9.184 -6.961 3.940 1.00 73.34 C ATOM 1300 C ASN A 171 -9.268 -7.637 2.574 1.00 54.44 C ATOM 1301 O ASN A 171 -9.775 -8.751 2.451 1.00 30.44 O ATOM 1302 CB ASN A 171 -10.103 -7.677 4.931 1.00 2.33 C ATOM 1303 CG ASN A 171 -9.360 -8.694 5.777 1.00 43.41 C ATOM 1304 OD1 ASN A 171 -8.583 -8.333 6.661 1.00 60.52 O ATOM 1305 ND2 ASN A 171 -9.597 -9.972 5.507 1.00 22.51 N ATOM 0 H ASN A 171 -8.787 -4.906 4.082 1.00 23.34 H new ATOM 0 HA ASN A 171 -8.156 -7.025 4.297 1.00 73.34 H new ATOM 0 HB2 ASN A 171 -10.574 -6.941 5.583 1.00 2.33 H new ATOM 0 HB3 ASN A 171 -10.903 -8.177 4.385 1.00 2.33 H new ATOM 0 HD21 ASN A 171 -9.127 -10.702 6.042 1.00 22.51 H new ATOM 0 HD22 ASN A 171 -10.250 -10.224 4.765 1.00 22.51 H new ATOM 1312 N ARG A 172 -8.770 -6.952 1.550 1.00 64.15 N ATOM 1313 CA ARG A 172 -8.788 -7.484 0.192 1.00 33.51 C ATOM 1314 C ARG A 172 -7.530 -7.080 -0.569 1.00 24.04 C ATOM 1315 O ARG A 172 -7.156 -5.907 -0.589 1.00 72.32 O ATOM 1316 CB ARG A 172 -10.030 -6.992 -0.554 1.00 1.34 C ATOM 1317 CG ARG A 172 -11.326 -7.603 -0.048 1.00 73.15 C ATOM 1318 CD ARG A 172 -12.248 -7.983 -1.198 1.00 30.31 C ATOM 1319 NE ARG A 172 -13.257 -8.956 -0.790 1.00 14.21 N ATOM 1320 CZ ARG A 172 -14.345 -8.640 -0.096 1.00 74.43 C ATOM 1321 NH1 ARG A 172 -14.563 -7.384 0.265 1.00 52.04 N ATOM 1322 NH2 ARG A 172 -15.218 -9.583 0.237 1.00 54.23 N ATOM 0 H ARG A 172 -8.349 -6.027 1.635 1.00 64.15 H new ATOM 0 HA ARG A 172 -8.817 -8.572 0.256 1.00 33.51 H new ATOM 0 HB2 ARG A 172 -10.091 -5.907 -0.465 1.00 1.34 H new ATOM 0 HB3 ARG A 172 -9.921 -7.220 -1.614 1.00 1.34 H new ATOM 0 HG2 ARG A 172 -11.104 -8.487 0.550 1.00 73.15 H new ATOM 0 HG3 ARG A 172 -11.832 -6.894 0.607 1.00 73.15 H new ATOM 0 HD2 ARG A 172 -12.740 -7.088 -1.579 1.00 30.31 H new ATOM 0 HD3 ARG A 172 -11.657 -8.395 -2.016 1.00 30.31 H new ATOM 0 HE ARG A 172 -13.119 -9.932 -1.052 1.00 14.21 H new ATOM 0 HH11 ARG A 172 -13.895 -6.657 0.010 1.00 52.04 H new ATOM 0 HH12 ARG A 172 -15.399 -7.144 0.798 1.00 52.04 H new ATOM 0 HH21 ARG A 172 -15.054 -10.551 -0.040 1.00 54.23 H new ATOM 0 HH22 ARG A 172 -16.053 -9.340 0.770 1.00 54.23 H new ATOM 1336 N GLU A 173 -6.880 -8.058 -1.192 1.00 73.24 N ATOM 1337 CA GLU A 173 -5.663 -7.802 -1.953 1.00 32.21 C ATOM 1338 C GLU A 173 -5.942 -6.867 -3.127 1.00 23.12 C ATOM 1339 O GLU A 173 -7.021 -6.902 -3.719 1.00 0.22 O ATOM 1340 CB GLU A 173 -5.069 -9.116 -2.464 1.00 21.43 C ATOM 1341 CG GLU A 173 -3.668 -9.394 -1.945 1.00 64.14 C ATOM 1342 CD GLU A 173 -3.343 -10.874 -1.904 1.00 74.13 C ATOM 1343 OE1 GLU A 173 -3.681 -11.583 -2.875 1.00 51.55 O ATOM 1344 OE2 GLU A 173 -2.752 -11.325 -0.901 1.00 64.00 O ATOM 0 H GLU A 173 -7.176 -9.034 -1.185 1.00 73.24 H new ATOM 0 HA GLU A 173 -4.945 -7.320 -1.290 1.00 32.21 H new ATOM 0 HB2 GLU A 173 -5.724 -9.938 -2.175 1.00 21.43 H new ATOM 0 HB3 GLU A 173 -5.046 -9.095 -3.554 1.00 21.43 H new ATOM 0 HG2 GLU A 173 -2.942 -8.884 -2.579 1.00 64.14 H new ATOM 0 HG3 GLU A 173 -3.566 -8.976 -0.944 1.00 64.14 H new ATOM 1351 N ILE A 174 -4.961 -6.034 -3.456 1.00 44.25 N ATOM 1352 CA ILE A 174 -5.100 -5.090 -4.559 1.00 24.12 C ATOM 1353 C ILE A 174 -3.968 -5.254 -5.567 1.00 51.15 C ATOM 1354 O ILE A 174 -2.790 -5.302 -5.214 1.00 62.21 O ATOM 1355 CB ILE A 174 -5.117 -3.635 -4.055 1.00 2.22 C ATOM 1356 CG1 ILE A 174 -6.296 -3.415 -3.105 1.00 55.10 C ATOM 1357 CG2 ILE A 174 -5.187 -2.668 -5.229 1.00 25.54 C ATOM 1358 CD1 ILE A 174 -7.286 -2.383 -3.600 1.00 22.33 C ATOM 0 H ILE A 174 -4.062 -5.993 -2.976 1.00 44.25 H new ATOM 0 HA ILE A 174 -6.051 -5.309 -5.045 1.00 24.12 H new ATOM 0 HB ILE A 174 -4.194 -3.445 -3.508 1.00 2.22 H new ATOM 0 HG12 ILE A 174 -6.814 -4.362 -2.957 1.00 55.10 H new ATOM 0 HG13 ILE A 174 -5.915 -3.104 -2.132 1.00 55.10 H new ATOM 0 HG21 ILE A 174 -5.198 -1.644 -4.856 1.00 25.54 H new ATOM 0 HG22 ILE A 174 -4.318 -2.811 -5.871 1.00 25.54 H new ATOM 0 HG23 ILE A 174 -6.095 -2.856 -5.801 1.00 25.54 H new ATOM 0 HD11 ILE A 174 -8.095 -2.279 -2.877 1.00 22.33 H new ATOM 0 HD12 ILE A 174 -6.782 -1.424 -3.721 1.00 22.33 H new ATOM 0 HD13 ILE A 174 -7.695 -2.702 -4.559 1.00 22.33 H new ATOM 1370 N PRO A 175 -4.332 -5.338 -6.856 1.00 62.40 N ATOM 1371 CA PRO A 175 -3.361 -5.495 -7.944 1.00 33.33 C ATOM 1372 C PRO A 175 -2.526 -4.238 -8.162 1.00 14.14 C ATOM 1373 O PRO A 175 -3.059 -3.131 -8.216 1.00 71.14 O ATOM 1374 CB PRO A 175 -4.241 -5.772 -9.166 1.00 3.30 C ATOM 1375 CG PRO A 175 -5.553 -5.147 -8.837 1.00 44.14 C ATOM 1376 CD PRO A 175 -5.717 -5.288 -7.350 1.00 35.24 C ATOM 0 HA PRO A 175 -2.638 -6.283 -7.735 1.00 33.33 H new ATOM 0 HB2 PRO A 175 -3.812 -5.339 -10.069 1.00 3.30 H new ATOM 0 HB3 PRO A 175 -4.346 -6.842 -9.344 1.00 3.30 H new ATOM 0 HG2 PRO A 175 -5.571 -4.098 -9.134 1.00 44.14 H new ATOM 0 HG3 PRO A 175 -6.366 -5.643 -9.368 1.00 44.14 H new ATOM 0 HD2 PRO A 175 -6.265 -4.447 -6.925 1.00 35.24 H new ATOM 0 HD3 PRO A 175 -6.269 -6.192 -7.091 1.00 35.24 H new ATOM 1384 N GLU A 176 -1.215 -4.419 -8.285 1.00 1.31 N ATOM 1385 CA GLU A 176 -0.307 -3.297 -8.496 1.00 32.02 C ATOM 1386 C GLU A 176 -0.123 -3.019 -9.985 1.00 65.32 C ATOM 1387 O GLU A 176 0.093 -3.938 -10.777 1.00 45.45 O ATOM 1388 CB GLU A 176 1.050 -3.582 -7.847 1.00 13.51 C ATOM 1389 CG GLU A 176 1.928 -2.350 -7.710 1.00 71.21 C ATOM 1390 CD GLU A 176 3.389 -2.640 -7.999 1.00 73.13 C ATOM 1391 OE1 GLU A 176 3.951 -3.550 -7.355 1.00 32.51 O ATOM 1392 OE2 GLU A 176 3.968 -1.956 -8.868 1.00 64.50 O ATOM 0 H GLU A 176 -0.758 -5.330 -8.242 1.00 1.31 H new ATOM 0 HA GLU A 176 -0.746 -2.414 -8.031 1.00 32.02 H new ATOM 0 HB2 GLU A 176 0.888 -4.014 -6.860 1.00 13.51 H new ATOM 0 HB3 GLU A 176 1.577 -4.330 -8.440 1.00 13.51 H new ATOM 0 HG2 GLU A 176 1.573 -1.578 -8.392 1.00 71.21 H new ATOM 0 HG3 GLU A 176 1.833 -1.951 -6.700 1.00 71.21 H new ATOM 1399 N LEU A 177 -0.210 -1.748 -10.359 1.00 14.51 N ATOM 1400 CA LEU A 177 -0.054 -1.347 -11.753 1.00 12.34 C ATOM 1401 C LEU A 177 1.418 -1.149 -12.100 1.00 53.02 C ATOM 1402 O LEU A 177 2.039 -0.168 -11.688 1.00 72.02 O ATOM 1403 CB LEU A 177 -0.832 -0.058 -12.024 1.00 70.22 C ATOM 1404 CG LEU A 177 -1.592 0.000 -13.350 1.00 14.22 C ATOM 1405 CD1 LEU A 177 -0.626 -0.079 -14.522 1.00 34.40 C ATOM 1406 CD2 LEU A 177 -2.620 -1.119 -13.426 1.00 24.45 C ATOM 0 H LEU A 177 -0.388 -0.976 -9.716 1.00 14.51 H new ATOM 0 HA LEU A 177 -0.453 -2.143 -12.382 1.00 12.34 H new ATOM 0 HB2 LEU A 177 -1.545 0.090 -11.213 1.00 70.22 H new ATOM 0 HB3 LEU A 177 -0.134 0.778 -11.991 1.00 70.22 H new ATOM 0 HG LEU A 177 -2.119 0.953 -13.404 1.00 14.22 H new ATOM 0 HD11 LEU A 177 -1.184 -0.036 -15.457 1.00 34.40 H new ATOM 0 HD12 LEU A 177 0.070 0.758 -14.477 1.00 34.40 H new ATOM 0 HD13 LEU A 177 -0.071 -1.016 -14.473 1.00 34.40 H new ATOM 0 HD21 LEU A 177 -3.151 -1.062 -14.376 1.00 24.45 H new ATOM 0 HD22 LEU A 177 -2.116 -2.082 -13.350 1.00 24.45 H new ATOM 0 HD23 LEU A 177 -3.331 -1.016 -12.606 1.00 24.45 H new ATOM 1418 N THR A 178 1.972 -2.086 -12.864 1.00 20.13 N ATOM 1419 CA THR A 178 3.370 -2.014 -13.268 1.00 73.12 C ATOM 1420 C THR A 178 3.641 -2.911 -14.471 1.00 15.30 C ATOM 1421 O THR A 178 2.930 -3.889 -14.699 1.00 41.02 O ATOM 1422 CB THR A 178 4.309 -2.422 -12.117 1.00 42.13 C ATOM 1423 OG1 THR A 178 5.673 -2.350 -12.549 1.00 71.04 O ATOM 1424 CG2 THR A 178 3.998 -3.830 -11.637 1.00 33.03 C ATOM 0 H THR A 178 1.473 -2.903 -13.215 1.00 20.13 H new ATOM 0 HA THR A 178 3.568 -0.977 -13.539 1.00 73.12 H new ATOM 0 HB THR A 178 4.153 -1.731 -11.289 1.00 42.13 H new ATOM 0 HG1 THR A 178 6.264 -2.609 -11.811 1.00 71.04 H new ATOM 0 HG21 THR A 178 4.674 -4.095 -10.824 1.00 33.03 H new ATOM 0 HG22 THR A 178 2.969 -3.874 -11.282 1.00 33.03 H new ATOM 0 HG23 THR A 178 4.128 -4.532 -12.461 1.00 33.03 H new ATOM 1432 N GLN A 179 4.673 -2.570 -15.236 1.00 74.41 N ATOM 1433 CA GLN A 179 5.037 -3.346 -16.416 1.00 41.51 C ATOM 1434 C GLN A 179 6.144 -4.343 -16.092 1.00 33.51 C ATOM 1435 O GLN A 179 6.434 -4.607 -14.924 1.00 45.14 O ATOM 1436 CB GLN A 179 5.487 -2.416 -17.544 1.00 61.53 C ATOM 1437 CG GLN A 179 4.401 -1.462 -18.016 1.00 71.23 C ATOM 1438 CD GLN A 179 3.056 -2.142 -18.178 1.00 63.43 C ATOM 1439 OE1 GLN A 179 2.976 -3.286 -18.627 1.00 60.43 O ATOM 1440 NE2 GLN A 179 1.990 -1.441 -17.812 1.00 40.32 N ATOM 0 H GLN A 179 5.271 -1.763 -15.060 1.00 74.41 H new ATOM 0 HA GLN A 179 4.157 -3.901 -16.741 1.00 41.51 H new ATOM 0 HB2 GLN A 179 6.346 -1.837 -17.205 1.00 61.53 H new ATOM 0 HB3 GLN A 179 5.822 -3.018 -18.388 1.00 61.53 H new ATOM 0 HG2 GLN A 179 4.306 -0.644 -17.302 1.00 71.23 H new ATOM 0 HG3 GLN A 179 4.698 -1.022 -18.968 1.00 71.23 H new ATOM 0 HE21 GLN A 179 2.102 -0.496 -17.445 1.00 40.32 H new ATOM 0 HE22 GLN A 179 1.058 -1.847 -17.898 1.00 40.32 H new TER 1449 GLN A 179