USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 828 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 HIS : no HE2:sc= -3.29 K(o=-1.8,f=-2.8!) USER MOD Set 1.2: A 106 SER OG : rot 120:sc= 1.18 USER MOD Set 1.3: A 108 ASN : amide:sc= -0.878! C(o=-1.8!,f=-4.9!) USER MOD Set 1.4: A 110 THR OG1 : rot 128:sc= 1.22 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0354 USER MOD Single : A 15 THR OG1 : rot -27:sc= 0.0497 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0524 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.7!) USER MOD Single : A 65 GLN : amide:sc= -0.433 K(o=-0.43,f=-1.9) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0903 USER MOD Single : A 73 HIS : no HD1:sc= -0.0624 X(o=-0.062,f=-0.001) USER MOD Single : A 76 SER OG : rot 117:sc= 1.12 USER MOD Single : A 84 THR OG1 : rot 78:sc= 1.08 USER MOD Single : A 86 SER OG : rot -26:sc= 0.583 USER MOD Single : A 95 ASN : amide:sc= -1.11 K(o=-1.1,f=-8!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 1.08 K(o=1.1,f=-2.8!) USER MOD Single : A 118 ASN : amide:sc= -2.31! K(o=-2.3!,f=0) USER MOD Single : A 120 GLN : amide:sc= -2.3 K(o=-2.3,f=-11!) USER MOD Single : A 122 MET CE :methyl -153:sc= -1.04 (180deg=-2.76!) USER MOD Single : A 123 GLN : amide:sc= -0.0844 K(o=-0.084,f=-0.69) USER MOD Single : A 124 THR OG1 : rot 41:sc= 0.0804 USER MOD Single : A 129 GLN : amide:sc= 1.03 K(o=1,f=-5!) USER MOD Single : A 132 LYS NZ :NH3+ 156:sc= 0.824 (180deg=-0.00279) USER MOD ----------------------------------------------------------------- ATOM 57 N ASN A 5 -36.318 -26.941 -14.042 1.00 74.04 N ATOM 58 CA ASN A 5 -35.416 -27.707 -14.865 1.00 21.25 C ATOM 59 C ASN A 5 -34.233 -26.854 -15.257 1.00 61.40 C ATOM 60 O ASN A 5 -34.398 -25.673 -15.611 1.00 15.43 O ATOM 61 CB ASN A 5 -36.136 -28.243 -16.119 1.00 1.32 C ATOM 62 CG ASN A 5 -36.768 -27.142 -16.972 1.00 74.30 C ATOM 63 OD1 ASN A 5 -37.907 -26.752 -16.745 1.00 3.13 O ATOM 64 ND2 ASN A 5 -36.067 -26.659 -17.958 1.00 33.01 N ATOM 0 HA ASN A 5 -35.062 -28.563 -14.291 1.00 21.25 H new ATOM 0 HB2 ASN A 5 -35.424 -28.801 -16.728 1.00 1.32 H new ATOM 0 HB3 ASN A 5 -36.911 -28.945 -15.812 1.00 1.32 H new ATOM 0 HD21 ASN A 5 -36.464 -25.939 -18.562 1.00 33.01 H new ATOM 0 HD22 ASN A 5 -35.121 -27.000 -18.126 1.00 33.01 H new ATOM 71 N GLY A 6 -33.063 -27.413 -15.185 1.00 2.04 N ATOM 72 CA GLY A 6 -31.881 -26.689 -15.534 1.00 40.13 C ATOM 73 C GLY A 6 -30.649 -27.307 -14.943 1.00 13.41 C ATOM 74 O GLY A 6 -30.659 -27.743 -13.787 1.00 32.22 O ATOM 0 H GLY A 6 -32.902 -28.375 -14.886 1.00 2.04 H new ATOM 0 HA2 GLY A 6 -31.784 -26.654 -16.619 1.00 40.13 H new ATOM 0 HA3 GLY A 6 -31.971 -25.659 -15.189 1.00 40.13 H new ATOM 78 N THR A 7 -29.605 -27.368 -15.719 1.00 33.24 N ATOM 79 CA THR A 7 -28.363 -27.902 -15.261 1.00 42.31 C ATOM 80 C THR A 7 -27.378 -26.751 -15.025 1.00 64.45 C ATOM 81 O THR A 7 -27.301 -25.826 -15.836 1.00 64.33 O ATOM 82 CB THR A 7 -27.772 -28.963 -16.266 1.00 63.32 C ATOM 83 OG1 THR A 7 -26.500 -29.461 -15.806 1.00 15.23 O ATOM 84 CG2 THR A 7 -27.615 -28.397 -17.674 1.00 63.25 C ATOM 0 H THR A 7 -29.595 -27.048 -16.687 1.00 33.24 H new ATOM 0 HA THR A 7 -28.535 -28.429 -14.322 1.00 42.31 H new ATOM 0 HB THR A 7 -28.489 -29.783 -16.306 1.00 63.32 H new ATOM 0 HG1 THR A 7 -26.155 -30.119 -16.446 1.00 15.23 H new ATOM 0 HG21 THR A 7 -27.205 -29.164 -18.331 1.00 63.25 H new ATOM 0 HG22 THR A 7 -28.588 -28.080 -18.049 1.00 63.25 H new ATOM 0 HG23 THR A 7 -26.940 -27.542 -17.649 1.00 63.25 H new ATOM 92 N PRO A 8 -26.682 -26.737 -13.880 1.00 15.22 N ATOM 93 CA PRO A 8 -25.661 -25.732 -13.602 1.00 60.14 C ATOM 94 C PRO A 8 -24.476 -25.905 -14.546 1.00 32.55 C ATOM 95 O PRO A 8 -23.984 -27.031 -14.735 1.00 73.43 O ATOM 96 CB PRO A 8 -25.234 -26.025 -12.156 1.00 33.13 C ATOM 97 CG PRO A 8 -26.314 -26.884 -11.600 1.00 23.40 C ATOM 98 CD PRO A 8 -26.837 -27.671 -12.757 1.00 40.45 C ATOM 0 HA PRO A 8 -26.026 -24.714 -13.737 1.00 60.14 H new ATOM 0 HB2 PRO A 8 -24.270 -26.533 -12.125 1.00 33.13 H new ATOM 0 HB3 PRO A 8 -25.127 -25.104 -11.582 1.00 33.13 H new ATOM 0 HG2 PRO A 8 -25.930 -27.542 -10.820 1.00 23.40 H new ATOM 0 HG3 PRO A 8 -27.101 -26.281 -11.148 1.00 23.40 H new ATOM 0 HD2 PRO A 8 -26.269 -28.588 -12.912 1.00 40.45 H new ATOM 0 HD3 PRO A 8 -27.878 -27.961 -12.612 1.00 40.45 H new ATOM 106 N GLU A 9 -24.035 -24.826 -15.134 1.00 52.41 N ATOM 107 CA GLU A 9 -22.927 -24.860 -16.058 1.00 1.51 C ATOM 108 C GLU A 9 -21.599 -24.881 -15.301 1.00 3.51 C ATOM 109 O GLU A 9 -21.507 -24.320 -14.196 1.00 31.43 O ATOM 110 CB GLU A 9 -23.005 -23.672 -17.017 1.00 21.31 C ATOM 111 CG GLU A 9 -22.993 -22.317 -16.347 1.00 4.04 C ATOM 112 CD GLU A 9 -23.279 -21.211 -17.318 1.00 0.32 C ATOM 113 OE1 GLU A 9 -24.445 -21.081 -17.756 1.00 43.55 O ATOM 114 OE2 GLU A 9 -22.371 -20.433 -17.648 1.00 61.21 O ATOM 0 H GLU A 9 -24.431 -23.898 -14.988 1.00 52.41 H new ATOM 0 HA GLU A 9 -22.985 -25.774 -16.648 1.00 1.51 H new ATOM 0 HB2 GLU A 9 -22.166 -23.727 -17.710 1.00 21.31 H new ATOM 0 HB3 GLU A 9 -23.915 -23.761 -17.610 1.00 21.31 H new ATOM 0 HG2 GLU A 9 -23.735 -22.300 -15.549 1.00 4.04 H new ATOM 0 HG3 GLU A 9 -22.021 -22.150 -15.883 1.00 4.04 H new ATOM 121 N PRO A 10 -20.574 -25.566 -15.841 1.00 42.24 N ATOM 122 CA PRO A 10 -19.253 -25.627 -15.212 1.00 51.43 C ATOM 123 C PRO A 10 -18.629 -24.236 -15.114 1.00 61.20 C ATOM 124 O PRO A 10 -18.736 -23.427 -16.052 1.00 64.42 O ATOM 125 CB PRO A 10 -18.423 -26.506 -16.164 1.00 0.11 C ATOM 126 CG PRO A 10 -19.421 -27.226 -17.004 1.00 53.43 C ATOM 127 CD PRO A 10 -20.613 -26.326 -17.107 1.00 0.34 C ATOM 0 HA PRO A 10 -19.300 -26.020 -14.196 1.00 51.43 H new ATOM 0 HB2 PRO A 10 -17.756 -25.900 -16.778 1.00 0.11 H new ATOM 0 HB3 PRO A 10 -17.798 -27.206 -15.609 1.00 0.11 H new ATOM 0 HG2 PRO A 10 -19.013 -27.445 -17.991 1.00 53.43 H new ATOM 0 HG3 PRO A 10 -19.692 -28.180 -16.553 1.00 53.43 H new ATOM 0 HD2 PRO A 10 -20.547 -25.668 -17.974 1.00 0.34 H new ATOM 0 HD3 PRO A 10 -21.538 -26.893 -17.207 1.00 0.34 H new ATOM 135 N GLN A 11 -17.998 -23.957 -14.002 1.00 4.21 N ATOM 136 CA GLN A 11 -17.379 -22.683 -13.788 1.00 3.15 C ATOM 137 C GLN A 11 -16.004 -22.719 -14.406 1.00 71.14 C ATOM 138 O GLN A 11 -15.302 -23.730 -14.284 1.00 64.04 O ATOM 139 CB GLN A 11 -17.259 -22.380 -12.288 1.00 4.13 C ATOM 140 CG GLN A 11 -16.712 -20.988 -11.985 1.00 1.41 C ATOM 141 CD GLN A 11 -16.458 -20.760 -10.510 1.00 22.41 C ATOM 142 OE1 GLN A 11 -15.362 -21.011 -10.006 1.00 52.02 O ATOM 143 NE2 GLN A 11 -17.454 -20.297 -9.808 1.00 42.32 N ATOM 0 H GLN A 11 -17.901 -24.609 -13.223 1.00 4.21 H new ATOM 0 HA GLN A 11 -17.988 -21.902 -14.244 1.00 3.15 H new ATOM 0 HB2 GLN A 11 -18.241 -22.483 -11.826 1.00 4.13 H new ATOM 0 HB3 GLN A 11 -16.610 -23.124 -11.827 1.00 4.13 H new ATOM 0 HG2 GLN A 11 -15.782 -20.841 -12.535 1.00 1.41 H new ATOM 0 HG3 GLN A 11 -17.418 -20.240 -12.346 1.00 1.41 H new ATOM 0 HE21 GLN A 11 -18.348 -20.100 -10.259 1.00 42.32 H new ATOM 0 HE22 GLN A 11 -17.340 -20.131 -8.808 1.00 42.32 H new ATOM 152 N VAL A 12 -15.628 -21.669 -15.078 1.00 11.42 N ATOM 153 CA VAL A 12 -14.328 -21.587 -15.674 1.00 34.24 C ATOM 154 C VAL A 12 -13.237 -21.340 -14.608 1.00 51.02 C ATOM 155 O VAL A 12 -12.874 -20.203 -14.277 1.00 73.31 O ATOM 156 CB VAL A 12 -14.268 -20.567 -16.856 1.00 3.05 C ATOM 157 CG1 VAL A 12 -15.159 -21.034 -17.996 1.00 71.04 C ATOM 158 CG2 VAL A 12 -14.678 -19.156 -16.435 1.00 35.33 C ATOM 0 H VAL A 12 -16.214 -20.847 -15.227 1.00 11.42 H new ATOM 0 HA VAL A 12 -14.118 -22.558 -16.123 1.00 34.24 H new ATOM 0 HB VAL A 12 -13.229 -20.524 -17.184 1.00 3.05 H new ATOM 0 HG11 VAL A 12 -15.109 -20.316 -18.814 1.00 71.04 H new ATOM 0 HG12 VAL A 12 -14.819 -22.008 -18.347 1.00 71.04 H new ATOM 0 HG13 VAL A 12 -16.188 -21.113 -17.645 1.00 71.04 H new ATOM 0 HG21 VAL A 12 -14.618 -18.488 -17.294 1.00 35.33 H new ATOM 0 HG22 VAL A 12 -15.701 -19.172 -16.058 1.00 35.33 H new ATOM 0 HG23 VAL A 12 -14.008 -18.801 -15.652 1.00 35.33 H new ATOM 168 N GLU A 13 -12.783 -22.422 -14.028 1.00 0.10 N ATOM 169 CA GLU A 13 -11.787 -22.386 -12.996 1.00 73.21 C ATOM 170 C GLU A 13 -10.432 -22.543 -13.632 1.00 33.02 C ATOM 171 O GLU A 13 -10.258 -23.358 -14.551 1.00 14.40 O ATOM 172 CB GLU A 13 -12.038 -23.511 -11.989 1.00 14.22 C ATOM 173 CG GLU A 13 -11.061 -23.552 -10.826 1.00 53.30 C ATOM 174 CD GLU A 13 -11.297 -24.731 -9.926 1.00 5.44 C ATOM 175 OE1 GLU A 13 -12.095 -24.617 -8.985 1.00 40.10 O ATOM 176 OE2 GLU A 13 -10.703 -25.793 -10.156 1.00 5.10 O ATOM 0 H GLU A 13 -13.101 -23.362 -14.264 1.00 0.10 H new ATOM 0 HA GLU A 13 -11.833 -21.436 -12.464 1.00 73.21 H new ATOM 0 HB2 GLU A 13 -13.048 -23.407 -11.593 1.00 14.22 H new ATOM 0 HB3 GLU A 13 -11.997 -24.466 -12.514 1.00 14.22 H new ATOM 0 HG2 GLU A 13 -10.042 -23.590 -11.211 1.00 53.30 H new ATOM 0 HG3 GLU A 13 -11.149 -22.632 -10.247 1.00 53.30 H new ATOM 183 N THR A 14 -9.492 -21.774 -13.184 1.00 64.33 N ATOM 184 CA THR A 14 -8.172 -21.835 -13.715 1.00 54.42 C ATOM 185 C THR A 14 -7.454 -23.117 -13.262 1.00 14.45 C ATOM 186 O THR A 14 -7.469 -23.466 -12.069 1.00 1.34 O ATOM 187 CB THR A 14 -7.371 -20.569 -13.318 1.00 62.31 C ATOM 188 OG1 THR A 14 -7.580 -20.273 -11.918 1.00 52.23 O ATOM 189 CG2 THR A 14 -7.800 -19.376 -14.158 1.00 34.11 C ATOM 0 H THR A 14 -9.619 -21.087 -12.441 1.00 64.33 H new ATOM 0 HA THR A 14 -8.239 -21.866 -14.803 1.00 54.42 H new ATOM 0 HB THR A 14 -6.313 -20.762 -13.497 1.00 62.31 H new ATOM 0 HG1 THR A 14 -7.070 -19.473 -11.673 1.00 52.23 H new ATOM 0 HG21 THR A 14 -7.225 -18.498 -13.863 1.00 34.11 H new ATOM 0 HG22 THR A 14 -7.621 -19.590 -15.212 1.00 34.11 H new ATOM 0 HG23 THR A 14 -8.862 -19.184 -14.002 1.00 34.11 H new ATOM 197 N THR A 15 -6.865 -23.838 -14.222 1.00 73.01 N ATOM 198 CA THR A 15 -6.085 -25.036 -13.925 1.00 43.23 C ATOM 199 C THR A 15 -4.714 -24.599 -13.403 1.00 51.20 C ATOM 200 O THR A 15 -3.890 -25.400 -12.938 1.00 14.52 O ATOM 201 CB THR A 15 -5.947 -25.974 -15.178 1.00 20.14 C ATOM 202 OG1 THR A 15 -5.426 -27.257 -14.796 1.00 74.43 O ATOM 203 CG2 THR A 15 -5.027 -25.364 -16.232 1.00 74.34 C ATOM 0 H THR A 15 -6.916 -23.608 -15.214 1.00 73.01 H new ATOM 0 HA THR A 15 -6.602 -25.622 -13.165 1.00 43.23 H new ATOM 0 HB THR A 15 -6.944 -26.092 -15.602 1.00 20.14 H new ATOM 0 HG1 THR A 15 -4.886 -27.162 -13.984 1.00 74.43 H new ATOM 0 HG21 THR A 15 -4.954 -26.038 -17.085 1.00 74.34 H new ATOM 0 HG22 THR A 15 -5.433 -24.407 -16.560 1.00 74.34 H new ATOM 0 HG23 THR A 15 -4.036 -25.210 -15.805 1.00 74.34 H new ATOM 211 N SER A 16 -4.500 -23.321 -13.503 1.00 21.14 N ATOM 212 CA SER A 16 -3.354 -22.675 -12.991 1.00 65.21 C ATOM 213 C SER A 16 -3.544 -22.554 -11.489 1.00 73.43 C ATOM 214 O SER A 16 -4.325 -21.718 -11.012 1.00 2.40 O ATOM 215 CB SER A 16 -3.259 -21.297 -13.631 1.00 54.40 C ATOM 216 OG SER A 16 -3.395 -21.410 -15.044 1.00 24.32 O ATOM 0 H SER A 16 -5.151 -22.685 -13.964 1.00 21.14 H new ATOM 0 HA SER A 16 -2.439 -23.227 -13.206 1.00 65.21 H new ATOM 0 HB2 SER A 16 -4.038 -20.647 -13.233 1.00 54.40 H new ATOM 0 HB3 SER A 16 -2.302 -20.837 -13.384 1.00 54.40 H new ATOM 0 HG SER A 16 -3.335 -20.520 -15.451 1.00 24.32 H new ATOM 222 N VAL A 17 -2.919 -23.441 -10.765 1.00 24.54 N ATOM 223 CA VAL A 17 -3.031 -23.460 -9.344 1.00 51.14 C ATOM 224 C VAL A 17 -2.094 -22.455 -8.706 1.00 63.30 C ATOM 225 O VAL A 17 -0.910 -22.714 -8.465 1.00 25.35 O ATOM 226 CB VAL A 17 -2.884 -24.890 -8.732 1.00 30.53 C ATOM 227 CG1 VAL A 17 -4.121 -25.717 -9.055 1.00 2.50 C ATOM 228 CG2 VAL A 17 -1.646 -25.605 -9.275 1.00 32.33 C ATOM 0 H VAL A 17 -2.318 -24.170 -11.150 1.00 24.54 H new ATOM 0 HA VAL A 17 -4.050 -23.153 -9.107 1.00 51.14 H new ATOM 0 HB VAL A 17 -2.775 -24.783 -7.653 1.00 30.53 H new ATOM 0 HG11 VAL A 17 -4.015 -26.714 -8.626 1.00 2.50 H new ATOM 0 HG12 VAL A 17 -5.002 -25.233 -8.634 1.00 2.50 H new ATOM 0 HG13 VAL A 17 -4.233 -25.797 -10.136 1.00 2.50 H new ATOM 0 HG21 VAL A 17 -1.574 -26.597 -8.829 1.00 32.33 H new ATOM 0 HG22 VAL A 17 -1.726 -25.699 -10.358 1.00 32.33 H new ATOM 0 HG23 VAL A 17 -0.755 -25.029 -9.026 1.00 32.33 H new ATOM 616 N GLY A 45 4.185 -15.721 2.120 1.00 50.23 N ATOM 617 CA GLY A 45 2.916 -15.149 2.441 1.00 43.14 C ATOM 618 C GLY A 45 2.863 -13.751 1.950 1.00 62.24 C ATOM 619 O GLY A 45 2.836 -12.802 2.720 1.00 31.01 O ATOM 0 HA2 GLY A 45 2.116 -15.735 1.988 1.00 43.14 H new ATOM 0 HA3 GLY A 45 2.757 -15.173 3.519 1.00 43.14 H new ATOM 623 N SER A 46 2.856 -13.637 0.676 1.00 51.34 N ATOM 624 CA SER A 46 2.856 -12.380 0.025 1.00 62.02 C ATOM 625 C SER A 46 1.449 -11.875 -0.202 1.00 3.54 C ATOM 626 O SER A 46 0.482 -12.648 -0.298 1.00 13.23 O ATOM 627 CB SER A 46 3.652 -12.479 -1.273 1.00 73.54 C ATOM 628 OG SER A 46 3.383 -13.709 -1.966 1.00 24.14 O ATOM 0 H SER A 46 2.850 -14.434 0.039 1.00 51.34 H new ATOM 0 HA SER A 46 3.341 -11.645 0.667 1.00 62.02 H new ATOM 0 HB2 SER A 46 3.404 -11.636 -1.918 1.00 73.54 H new ATOM 0 HB3 SER A 46 4.717 -12.410 -1.053 1.00 73.54 H new ATOM 0 HG SER A 46 3.907 -13.740 -2.793 1.00 24.14 H new ATOM 634 N ALA A 47 1.330 -10.598 -0.260 1.00 33.21 N ATOM 635 CA ALA A 47 0.057 -9.975 -0.369 1.00 23.21 C ATOM 636 C ALA A 47 0.091 -8.928 -1.445 1.00 75.31 C ATOM 637 O ALA A 47 1.175 -8.543 -1.908 1.00 10.42 O ATOM 638 CB ALA A 47 -0.320 -9.377 0.963 1.00 13.43 C ATOM 0 H ALA A 47 2.117 -9.950 -0.233 1.00 33.21 H new ATOM 0 HA ALA A 47 -0.696 -10.714 -0.643 1.00 23.21 H new ATOM 0 HB1 ALA A 47 -1.296 -8.898 0.884 1.00 13.43 H new ATOM 0 HB2 ALA A 47 -0.362 -10.164 1.716 1.00 13.43 H new ATOM 0 HB3 ALA A 47 0.425 -8.636 1.253 1.00 13.43 H new ATOM 644 N LEU A 48 -1.058 -8.459 -1.831 1.00 62.43 N ATOM 645 CA LEU A 48 -1.153 -7.503 -2.893 1.00 52.45 C ATOM 646 C LEU A 48 -1.979 -6.317 -2.469 1.00 65.55 C ATOM 647 O LEU A 48 -2.995 -6.454 -1.789 1.00 65.51 O ATOM 648 CB LEU A 48 -1.708 -8.114 -4.216 1.00 1.52 C ATOM 649 CG LEU A 48 -3.171 -8.637 -4.238 1.00 14.34 C ATOM 650 CD1 LEU A 48 -3.588 -8.932 -5.669 1.00 70.31 C ATOM 651 CD2 LEU A 48 -3.336 -9.905 -3.399 1.00 55.22 C ATOM 0 H LEU A 48 -1.952 -8.727 -1.420 1.00 62.43 H new ATOM 0 HA LEU A 48 -0.136 -7.173 -3.105 1.00 52.45 H new ATOM 0 HB2 LEU A 48 -1.616 -7.357 -4.995 1.00 1.52 H new ATOM 0 HB3 LEU A 48 -1.057 -8.941 -4.497 1.00 1.52 H new ATOM 0 HG LEU A 48 -3.804 -7.860 -3.809 1.00 14.34 H new ATOM 0 HD11 LEU A 48 -4.614 -9.299 -5.681 1.00 70.31 H new ATOM 0 HD12 LEU A 48 -3.522 -8.020 -6.263 1.00 70.31 H new ATOM 0 HD13 LEU A 48 -2.928 -9.689 -6.092 1.00 70.31 H new ATOM 0 HD21 LEU A 48 -4.373 -10.237 -3.442 1.00 55.22 H new ATOM 0 HD22 LEU A 48 -2.688 -10.688 -3.792 1.00 55.22 H new ATOM 0 HD23 LEU A 48 -3.065 -9.695 -2.365 1.00 55.22 H new ATOM 663 N LEU A 49 -1.538 -5.172 -2.840 1.00 23.03 N ATOM 664 CA LEU A 49 -2.235 -3.968 -2.529 1.00 74.22 C ATOM 665 C LEU A 49 -2.450 -3.162 -3.776 1.00 25.43 C ATOM 666 O LEU A 49 -1.654 -3.255 -4.731 1.00 32.44 O ATOM 667 CB LEU A 49 -1.522 -3.174 -1.400 1.00 13.14 C ATOM 668 CG LEU A 49 0.000 -2.914 -1.526 1.00 61.32 C ATOM 669 CD1 LEU A 49 0.342 -1.890 -2.605 1.00 62.24 C ATOM 670 CD2 LEU A 49 0.589 -2.511 -0.180 1.00 32.11 C ATOM 0 H LEU A 49 -0.678 -5.037 -3.372 1.00 23.03 H new ATOM 0 HA LEU A 49 -3.220 -4.217 -2.134 1.00 74.22 H new ATOM 0 HB2 LEU A 49 -2.017 -2.207 -1.311 1.00 13.14 H new ATOM 0 HB3 LEU A 49 -1.691 -3.706 -0.464 1.00 13.14 H new ATOM 0 HG LEU A 49 0.455 -3.853 -1.842 1.00 61.32 H new ATOM 0 HD11 LEU A 49 1.422 -1.751 -2.645 1.00 62.24 H new ATOM 0 HD12 LEU A 49 -0.014 -2.247 -3.571 1.00 62.24 H new ATOM 0 HD13 LEU A 49 -0.138 -0.940 -2.370 1.00 62.24 H new ATOM 0 HD21 LEU A 49 1.659 -2.333 -0.290 1.00 32.11 H new ATOM 0 HD22 LEU A 49 0.104 -1.601 0.172 1.00 32.11 H new ATOM 0 HD23 LEU A 49 0.427 -3.311 0.542 1.00 32.11 H new ATOM 682 N VAL A 50 -3.520 -2.429 -3.812 1.00 31.22 N ATOM 683 CA VAL A 50 -3.821 -1.611 -4.952 1.00 55.42 C ATOM 684 C VAL A 50 -4.043 -0.180 -4.512 1.00 10.31 C ATOM 685 O VAL A 50 -4.608 0.078 -3.433 1.00 42.12 O ATOM 686 CB VAL A 50 -5.061 -2.122 -5.783 1.00 1.23 C ATOM 687 CG1 VAL A 50 -4.857 -3.537 -6.281 1.00 32.33 C ATOM 688 CG2 VAL A 50 -6.352 -2.040 -4.999 1.00 20.25 C ATOM 0 H VAL A 50 -4.206 -2.379 -3.059 1.00 31.22 H new ATOM 0 HA VAL A 50 -2.960 -1.672 -5.617 1.00 55.42 H new ATOM 0 HB VAL A 50 -5.142 -1.455 -6.641 1.00 1.23 H new ATOM 0 HG11 VAL A 50 -5.732 -3.853 -6.849 1.00 32.33 H new ATOM 0 HG12 VAL A 50 -3.976 -3.574 -6.922 1.00 32.33 H new ATOM 0 HG13 VAL A 50 -4.715 -4.205 -5.431 1.00 32.33 H new ATOM 0 HG21 VAL A 50 -7.175 -2.403 -5.614 1.00 20.25 H new ATOM 0 HG22 VAL A 50 -6.272 -2.653 -4.101 1.00 20.25 H new ATOM 0 HG23 VAL A 50 -6.540 -1.005 -4.715 1.00 20.25 H new ATOM 698 N VAL A 51 -3.548 0.737 -5.291 1.00 5.31 N ATOM 699 CA VAL A 51 -3.764 2.138 -5.038 1.00 2.53 C ATOM 700 C VAL A 51 -4.793 2.595 -6.027 1.00 0.53 C ATOM 701 O VAL A 51 -4.583 2.502 -7.247 1.00 71.31 O ATOM 702 CB VAL A 51 -2.468 2.982 -5.183 1.00 40.44 C ATOM 703 CG1 VAL A 51 -2.725 4.433 -4.774 1.00 33.32 C ATOM 704 CG2 VAL A 51 -1.345 2.388 -4.343 1.00 42.41 C ATOM 0 H VAL A 51 -2.984 0.539 -6.118 1.00 5.31 H new ATOM 0 HA VAL A 51 -4.094 2.276 -4.008 1.00 2.53 H new ATOM 0 HB VAL A 51 -2.164 2.964 -6.230 1.00 40.44 H new ATOM 0 HG11 VAL A 51 -1.806 5.010 -4.882 1.00 33.32 H new ATOM 0 HG12 VAL A 51 -3.498 4.860 -5.413 1.00 33.32 H new ATOM 0 HG13 VAL A 51 -3.054 4.465 -3.735 1.00 33.32 H new ATOM 0 HG21 VAL A 51 -0.446 2.993 -4.458 1.00 42.41 H new ATOM 0 HG22 VAL A 51 -1.643 2.375 -3.294 1.00 42.41 H new ATOM 0 HG23 VAL A 51 -1.142 1.370 -4.675 1.00 42.41 H new ATOM 714 N LYS A 52 -5.918 3.011 -5.532 1.00 13.32 N ATOM 715 CA LYS A 52 -6.998 3.379 -6.401 1.00 14.11 C ATOM 716 C LYS A 52 -7.153 4.876 -6.515 1.00 4.24 C ATOM 717 O LYS A 52 -7.650 5.384 -7.523 1.00 64.25 O ATOM 718 CB LYS A 52 -8.296 2.706 -5.969 1.00 22.24 C ATOM 719 CG LYS A 52 -8.203 1.180 -5.994 1.00 43.52 C ATOM 720 CD LYS A 52 -9.533 0.491 -5.737 1.00 63.10 C ATOM 721 CE LYS A 52 -10.527 0.759 -6.858 1.00 64.04 C ATOM 722 NZ LYS A 52 -11.789 0.032 -6.664 1.00 44.13 N ATOM 0 H LYS A 52 -6.114 3.105 -4.535 1.00 13.32 H new ATOM 0 HA LYS A 52 -6.751 3.018 -7.400 1.00 14.11 H new ATOM 0 HB2 LYS A 52 -8.554 3.034 -4.962 1.00 22.24 H new ATOM 0 HB3 LYS A 52 -9.104 3.028 -6.626 1.00 22.24 H new ATOM 0 HG2 LYS A 52 -7.819 0.862 -6.963 1.00 43.52 H new ATOM 0 HG3 LYS A 52 -7.483 0.855 -5.244 1.00 43.52 H new ATOM 0 HD2 LYS A 52 -9.374 -0.583 -5.639 1.00 63.10 H new ATOM 0 HD3 LYS A 52 -9.947 0.839 -4.791 1.00 63.10 H new ATOM 0 HE2 LYS A 52 -10.730 1.828 -6.914 1.00 64.04 H new ATOM 0 HE3 LYS A 52 -10.085 0.469 -7.811 1.00 64.04 H new ATOM 0 HZ1 LYS A 52 -12.436 0.244 -7.450 1.00 44.13 H new ATOM 0 HZ2 LYS A 52 -11.600 -0.990 -6.637 1.00 44.13 H new ATOM 0 HZ3 LYS A 52 -12.225 0.327 -5.767 1.00 44.13 H new ATOM 736 N ARG A 53 -6.709 5.588 -5.518 1.00 42.42 N ATOM 737 CA ARG A 53 -6.822 7.031 -5.546 1.00 11.41 C ATOM 738 C ARG A 53 -5.593 7.680 -4.959 1.00 0.14 C ATOM 739 O ARG A 53 -5.295 7.485 -3.781 1.00 40.15 O ATOM 740 CB ARG A 53 -8.073 7.498 -4.775 1.00 3.11 C ATOM 741 CG ARG A 53 -8.328 9.010 -4.830 1.00 44.41 C ATOM 742 CD ARG A 53 -8.623 9.464 -6.253 1.00 21.11 C ATOM 743 NE ARG A 53 -8.868 10.911 -6.366 1.00 14.31 N ATOM 744 CZ ARG A 53 -9.340 11.512 -7.474 1.00 52.40 C ATOM 745 NH1 ARG A 53 -9.688 10.782 -8.532 1.00 71.12 N ATOM 746 NH2 ARG A 53 -9.490 12.832 -7.509 1.00 10.11 N ATOM 0 H ARG A 53 -6.269 5.205 -4.681 1.00 42.42 H new ATOM 0 HA ARG A 53 -6.915 7.334 -6.589 1.00 11.41 H new ATOM 0 HB2 ARG A 53 -8.945 6.981 -5.175 1.00 3.11 H new ATOM 0 HB3 ARG A 53 -7.975 7.197 -3.732 1.00 3.11 H new ATOM 0 HG2 ARG A 53 -9.167 9.264 -4.182 1.00 44.41 H new ATOM 0 HG3 ARG A 53 -7.457 9.543 -4.448 1.00 44.41 H new ATOM 0 HD2 ARG A 53 -7.784 9.194 -6.894 1.00 21.11 H new ATOM 0 HD3 ARG A 53 -9.494 8.925 -6.625 1.00 21.11 H new ATOM 0 HE ARG A 53 -8.668 11.495 -5.554 1.00 14.31 H new ATOM 0 HH11 ARG A 53 -9.597 9.766 -8.503 1.00 71.12 H new ATOM 0 HH12 ARG A 53 -10.046 11.238 -9.371 1.00 71.12 H new ATOM 0 HH21 ARG A 53 -9.247 13.395 -6.694 1.00 10.11 H new ATOM 0 HH22 ARG A 53 -9.848 13.282 -8.351 1.00 10.11 H new ATOM 760 N GLY A 54 -4.861 8.407 -5.774 1.00 75.14 N ATOM 761 CA GLY A 54 -3.762 9.168 -5.257 1.00 70.43 C ATOM 762 C GLY A 54 -2.528 9.110 -6.129 1.00 31.32 C ATOM 763 O GLY A 54 -2.196 8.049 -6.631 1.00 63.42 O ATOM 0 H GLY A 54 -5.008 8.483 -6.780 1.00 75.14 H new ATOM 0 HA2 GLY A 54 -4.070 10.208 -5.145 1.00 70.43 H new ATOM 0 HA3 GLY A 54 -3.512 8.801 -4.262 1.00 70.43 H new ATOM 767 N PRO A 55 -1.815 10.264 -6.305 1.00 31.23 N ATOM 768 CA PRO A 55 -0.530 10.377 -7.083 1.00 43.23 C ATOM 769 C PRO A 55 0.588 9.372 -6.676 1.00 3.44 C ATOM 770 O PRO A 55 1.653 9.346 -7.293 1.00 24.12 O ATOM 771 CB PRO A 55 -0.069 11.805 -6.787 1.00 20.24 C ATOM 772 CG PRO A 55 -1.322 12.556 -6.528 1.00 31.44 C ATOM 773 CD PRO A 55 -2.248 11.603 -5.822 1.00 64.15 C ATOM 0 HA PRO A 55 -0.710 10.146 -8.133 1.00 43.23 H new ATOM 0 HB2 PRO A 55 0.597 11.836 -5.925 1.00 20.24 H new ATOM 0 HB3 PRO A 55 0.480 12.227 -7.629 1.00 20.24 H new ATOM 0 HG2 PRO A 55 -1.128 13.436 -5.914 1.00 31.44 H new ATOM 0 HG3 PRO A 55 -1.764 12.908 -7.460 1.00 31.44 H new ATOM 0 HD2 PRO A 55 -2.158 11.686 -4.739 1.00 64.15 H new ATOM 0 HD3 PRO A 55 -3.291 11.800 -6.071 1.00 64.15 H new ATOM 781 N ASN A 56 0.370 8.638 -5.594 1.00 32.01 N ATOM 782 CA ASN A 56 1.299 7.601 -5.112 1.00 40.22 C ATOM 783 C ASN A 56 1.496 6.550 -6.195 1.00 43.01 C ATOM 784 O ASN A 56 2.617 6.254 -6.584 1.00 3.10 O ATOM 785 CB ASN A 56 0.718 6.918 -3.854 1.00 52.11 C ATOM 786 CG ASN A 56 1.590 5.790 -3.300 1.00 11.30 C ATOM 787 OD1 ASN A 56 2.797 5.808 -3.411 1.00 60.12 O ATOM 788 ND2 ASN A 56 0.967 4.805 -2.693 1.00 32.14 N ATOM 0 H ASN A 56 -0.463 8.739 -5.014 1.00 32.01 H new ATOM 0 HA ASN A 56 2.253 8.068 -4.868 1.00 40.22 H new ATOM 0 HB2 ASN A 56 0.577 7.670 -3.077 1.00 52.11 H new ATOM 0 HB3 ASN A 56 -0.267 6.518 -4.093 1.00 52.11 H new ATOM 0 HD21 ASN A 56 1.500 4.029 -2.300 1.00 32.14 H new ATOM 0 HD22 ASN A 56 -0.050 4.816 -2.614 1.00 32.14 H new ATOM 795 N ALA A 57 0.391 6.039 -6.711 1.00 63.30 N ATOM 796 CA ALA A 57 0.407 4.998 -7.713 1.00 55.00 C ATOM 797 C ALA A 57 -1.003 4.756 -8.190 1.00 51.23 C ATOM 798 O ALA A 57 -1.937 5.435 -7.757 1.00 31.22 O ATOM 799 CB ALA A 57 0.994 3.701 -7.145 1.00 32.21 C ATOM 0 H ALA A 57 -0.546 6.340 -6.442 1.00 63.30 H new ATOM 0 HA ALA A 57 1.034 5.317 -8.546 1.00 55.00 H new ATOM 0 HB1 ALA A 57 0.995 2.933 -7.918 1.00 32.21 H new ATOM 0 HB2 ALA A 57 2.016 3.880 -6.810 1.00 32.21 H new ATOM 0 HB3 ALA A 57 0.389 3.366 -6.302 1.00 32.21 H new ATOM 805 N GLY A 58 -1.155 3.808 -9.057 1.00 51.12 N ATOM 806 CA GLY A 58 -2.437 3.449 -9.565 1.00 40.10 C ATOM 807 C GLY A 58 -2.355 2.116 -10.226 1.00 41.11 C ATOM 808 O GLY A 58 -2.729 1.962 -11.390 1.00 2.40 O ATOM 0 H GLY A 58 -0.385 3.257 -9.435 1.00 51.12 H new ATOM 0 HA2 GLY A 58 -3.166 3.421 -8.755 1.00 40.10 H new ATOM 0 HA3 GLY A 58 -2.781 4.199 -10.277 1.00 40.10 H new ATOM 812 N ALA A 59 -1.856 1.151 -9.497 1.00 11.22 N ATOM 813 CA ALA A 59 -1.656 -0.177 -9.992 1.00 63.34 C ATOM 814 C ALA A 59 -1.706 -1.134 -8.829 1.00 50.53 C ATOM 815 O ALA A 59 -1.944 -0.708 -7.680 1.00 24.12 O ATOM 816 CB ALA A 59 -0.307 -0.279 -10.700 1.00 1.21 C ATOM 0 H ALA A 59 -1.573 1.274 -8.525 1.00 11.22 H new ATOM 0 HA ALA A 59 -2.437 -0.425 -10.711 1.00 63.34 H new ATOM 0 HB1 ALA A 59 -0.167 -1.294 -11.072 1.00 1.21 H new ATOM 0 HB2 ALA A 59 -0.281 0.420 -11.536 1.00 1.21 H new ATOM 0 HB3 ALA A 59 0.491 -0.036 -9.999 1.00 1.21 H new ATOM 822 N ARG A 60 -1.478 -2.392 -9.108 1.00 24.20 N ATOM 823 CA ARG A 60 -1.470 -3.407 -8.089 1.00 45.04 C ATOM 824 C ARG A 60 -0.053 -3.870 -7.867 1.00 13.21 C ATOM 825 O ARG A 60 0.719 -4.004 -8.830 1.00 65.34 O ATOM 826 CB ARG A 60 -2.393 -4.600 -8.451 1.00 54.35 C ATOM 827 CG ARG A 60 -1.910 -5.596 -9.535 1.00 35.52 C ATOM 828 CD ARG A 60 -1.674 -4.966 -10.907 1.00 25.43 C ATOM 829 NE ARG A 60 -1.384 -5.986 -11.922 1.00 71.22 N ATOM 830 CZ ARG A 60 -0.311 -6.018 -12.731 1.00 33.43 C ATOM 831 NH1 ARG A 60 0.650 -5.090 -12.633 1.00 12.04 N ATOM 832 NH2 ARG A 60 -0.199 -6.985 -13.637 1.00 65.05 N ATOM 0 H ARG A 60 -1.293 -2.740 -10.049 1.00 24.20 H new ATOM 0 HA ARG A 60 -1.864 -2.977 -7.168 1.00 45.04 H new ATOM 0 HB2 ARG A 60 -2.579 -5.166 -7.538 1.00 54.35 H new ATOM 0 HB3 ARG A 60 -3.351 -4.194 -8.775 1.00 54.35 H new ATOM 0 HG2 ARG A 60 -0.984 -6.061 -9.198 1.00 35.52 H new ATOM 0 HG3 ARG A 60 -2.648 -6.392 -9.636 1.00 35.52 H new ATOM 0 HD2 ARG A 60 -2.554 -4.396 -11.203 1.00 25.43 H new ATOM 0 HD3 ARG A 60 -0.843 -4.263 -10.848 1.00 25.43 H new ATOM 0 HE ARG A 60 -2.061 -6.742 -12.023 1.00 71.22 H new ATOM 0 HH11 ARG A 60 0.573 -4.347 -11.938 1.00 12.04 H new ATOM 0 HH12 ARG A 60 1.459 -5.126 -13.253 1.00 12.04 H new ATOM 0 HH21 ARG A 60 -0.925 -7.697 -13.715 1.00 65.05 H new ATOM 0 HH22 ARG A 60 0.613 -7.015 -14.254 1.00 65.05 H new ATOM 846 N PHE A 61 0.307 -4.078 -6.639 1.00 65.33 N ATOM 847 CA PHE A 61 1.640 -4.513 -6.313 1.00 13.34 C ATOM 848 C PHE A 61 1.585 -5.729 -5.424 1.00 42.43 C ATOM 849 O PHE A 61 0.850 -5.745 -4.440 1.00 51.05 O ATOM 850 CB PHE A 61 2.435 -3.390 -5.618 1.00 32.11 C ATOM 851 CG PHE A 61 2.591 -2.134 -6.441 1.00 64.54 C ATOM 852 CD1 PHE A 61 3.617 -2.014 -7.362 1.00 64.51 C ATOM 853 CD2 PHE A 61 1.706 -1.076 -6.289 1.00 65.30 C ATOM 854 CE1 PHE A 61 3.760 -0.863 -8.115 1.00 14.12 C ATOM 855 CE2 PHE A 61 1.844 0.073 -7.039 1.00 13.34 C ATOM 856 CZ PHE A 61 2.871 0.180 -7.954 1.00 53.34 C ATOM 0 H PHE A 61 -0.307 -3.953 -5.834 1.00 65.33 H new ATOM 0 HA PHE A 61 2.150 -4.769 -7.242 1.00 13.34 H new ATOM 0 HB2 PHE A 61 1.939 -3.136 -4.681 1.00 32.11 H new ATOM 0 HB3 PHE A 61 3.425 -3.767 -5.362 1.00 32.11 H new ATOM 0 HD1 PHE A 61 4.314 -2.828 -7.494 1.00 64.51 H new ATOM 0 HD2 PHE A 61 0.900 -1.153 -5.575 1.00 65.30 H new ATOM 0 HE1 PHE A 61 4.567 -0.780 -8.828 1.00 14.12 H new ATOM 0 HE2 PHE A 61 1.148 0.889 -6.910 1.00 13.34 H new ATOM 0 HZ PHE A 61 2.979 1.079 -8.543 1.00 53.34 H new ATOM 866 N LEU A 62 2.309 -6.750 -5.805 1.00 54.25 N ATOM 867 CA LEU A 62 2.445 -7.953 -5.012 1.00 11.11 C ATOM 868 C LEU A 62 3.746 -7.801 -4.243 1.00 31.44 C ATOM 869 O LEU A 62 4.818 -7.709 -4.846 1.00 22.54 O ATOM 870 CB LEU A 62 2.456 -9.200 -5.956 1.00 35.52 C ATOM 871 CG LEU A 62 2.467 -10.634 -5.340 1.00 14.20 C ATOM 872 CD1 LEU A 62 3.785 -10.983 -4.660 1.00 61.31 C ATOM 873 CD2 LEU A 62 1.305 -10.822 -4.381 1.00 12.33 C ATOM 0 H LEU A 62 2.828 -6.774 -6.683 1.00 54.25 H new ATOM 0 HA LEU A 62 1.617 -8.097 -4.318 1.00 11.11 H new ATOM 0 HB2 LEU A 62 1.580 -9.129 -6.600 1.00 35.52 H new ATOM 0 HB3 LEU A 62 3.332 -9.115 -6.599 1.00 35.52 H new ATOM 0 HG LEU A 62 2.354 -11.326 -6.175 1.00 14.20 H new ATOM 0 HD11 LEU A 62 3.728 -11.992 -4.252 1.00 61.31 H new ATOM 0 HD12 LEU A 62 4.595 -10.931 -5.388 1.00 61.31 H new ATOM 0 HD13 LEU A 62 3.976 -10.276 -3.853 1.00 61.31 H new ATOM 0 HD21 LEU A 62 1.335 -11.829 -3.966 1.00 12.33 H new ATOM 0 HD22 LEU A 62 1.378 -10.094 -3.573 1.00 12.33 H new ATOM 0 HD23 LEU A 62 0.366 -10.678 -4.915 1.00 12.33 H new ATOM 885 N LEU A 63 3.662 -7.744 -2.951 1.00 22.32 N ATOM 886 CA LEU A 63 4.835 -7.489 -2.152 1.00 64.51 C ATOM 887 C LEU A 63 5.416 -8.739 -1.555 1.00 11.33 C ATOM 888 O LEU A 63 4.767 -9.429 -0.765 1.00 74.22 O ATOM 889 CB LEU A 63 4.590 -6.450 -1.028 1.00 52.40 C ATOM 890 CG LEU A 63 4.298 -4.990 -1.436 1.00 44.21 C ATOM 891 CD1 LEU A 63 5.358 -4.450 -2.382 1.00 72.41 C ATOM 892 CD2 LEU A 63 2.910 -4.832 -2.016 1.00 54.30 C ATOM 0 H LEU A 63 2.799 -7.869 -2.421 1.00 22.32 H new ATOM 0 HA LEU A 63 5.557 -7.071 -2.854 1.00 64.51 H new ATOM 0 HB2 LEU A 63 3.752 -6.802 -0.426 1.00 52.40 H new ATOM 0 HB3 LEU A 63 5.467 -6.446 -0.381 1.00 52.40 H new ATOM 0 HG LEU A 63 4.336 -4.393 -0.525 1.00 44.21 H new ATOM 0 HD11 LEU A 63 5.119 -3.420 -2.647 1.00 72.41 H new ATOM 0 HD12 LEU A 63 6.332 -4.482 -1.894 1.00 72.41 H new ATOM 0 HD13 LEU A 63 5.385 -5.060 -3.285 1.00 72.41 H new ATOM 0 HD21 LEU A 63 2.746 -3.790 -2.290 1.00 54.30 H new ATOM 0 HD22 LEU A 63 2.812 -5.459 -2.902 1.00 54.30 H new ATOM 0 HD23 LEU A 63 2.170 -5.133 -1.275 1.00 54.30 H new ATOM 904 N ASP A 64 6.615 -9.048 -1.976 1.00 52.23 N ATOM 905 CA ASP A 64 7.430 -10.072 -1.330 1.00 22.51 C ATOM 906 C ASP A 64 8.555 -9.327 -0.622 1.00 4.52 C ATOM 907 O ASP A 64 9.374 -9.903 0.099 1.00 72.41 O ATOM 908 CB ASP A 64 8.010 -11.071 -2.347 1.00 3.14 C ATOM 909 CG ASP A 64 9.175 -10.524 -3.153 1.00 31.20 C ATOM 910 OD1 ASP A 64 8.997 -9.527 -3.895 1.00 21.25 O ATOM 911 OD2 ASP A 64 10.287 -11.081 -3.056 1.00 51.50 O ATOM 0 H ASP A 64 7.064 -8.603 -2.776 1.00 52.23 H new ATOM 0 HA ASP A 64 6.827 -10.659 -0.638 1.00 22.51 H new ATOM 0 HB2 ASP A 64 8.336 -11.966 -1.817 1.00 3.14 H new ATOM 0 HB3 ASP A 64 7.219 -11.377 -3.032 1.00 3.14 H new ATOM 916 N GLN A 65 8.558 -8.020 -0.884 1.00 52.21 N ATOM 917 CA GLN A 65 9.448 -7.036 -0.316 1.00 44.53 C ATOM 918 C GLN A 65 9.168 -6.913 1.184 1.00 61.40 C ATOM 919 O GLN A 65 8.097 -6.444 1.576 1.00 72.31 O ATOM 920 CB GLN A 65 9.168 -5.692 -1.028 1.00 53.45 C ATOM 921 CG GLN A 65 9.916 -4.476 -0.505 1.00 52.32 C ATOM 922 CD GLN A 65 11.404 -4.575 -0.665 1.00 21.11 C ATOM 923 OE1 GLN A 65 12.101 -5.071 0.218 1.00 31.33 O ATOM 924 NE2 GLN A 65 11.907 -4.118 -1.773 1.00 1.24 N ATOM 0 H GLN A 65 7.895 -7.606 -1.539 1.00 52.21 H new ATOM 0 HA GLN A 65 10.492 -7.321 -0.450 1.00 44.53 H new ATOM 0 HB2 GLN A 65 9.407 -5.810 -2.085 1.00 53.45 H new ATOM 0 HB3 GLN A 65 8.099 -5.488 -0.963 1.00 53.45 H new ATOM 0 HG2 GLN A 65 9.561 -3.588 -1.028 1.00 52.32 H new ATOM 0 HG3 GLN A 65 9.680 -4.340 0.551 1.00 52.32 H new ATOM 0 HE21 GLN A 65 11.295 -3.714 -2.482 1.00 1.24 H new ATOM 0 HE22 GLN A 65 12.913 -4.164 -1.933 1.00 1.24 H new ATOM 933 N PRO A 66 10.123 -7.334 2.044 1.00 11.05 N ATOM 934 CA PRO A 66 9.943 -7.313 3.496 1.00 1.02 C ATOM 935 C PRO A 66 9.733 -5.901 4.053 1.00 74.22 C ATOM 936 O PRO A 66 9.070 -5.716 5.079 1.00 54.42 O ATOM 937 CB PRO A 66 11.249 -7.917 4.044 1.00 33.34 C ATOM 938 CG PRO A 66 12.232 -7.785 2.933 1.00 72.31 C ATOM 939 CD PRO A 66 11.440 -7.891 1.667 1.00 35.32 C ATOM 0 HA PRO A 66 9.049 -7.864 3.788 1.00 1.02 H new ATOM 0 HB2 PRO A 66 11.586 -7.386 4.934 1.00 33.34 H new ATOM 0 HB3 PRO A 66 11.112 -8.960 4.328 1.00 33.34 H new ATOM 0 HG2 PRO A 66 12.756 -6.831 2.987 1.00 72.31 H new ATOM 0 HG3 PRO A 66 12.989 -8.568 2.987 1.00 72.31 H new ATOM 0 HD2 PRO A 66 11.899 -7.325 0.856 1.00 35.32 H new ATOM 0 HD3 PRO A 66 11.358 -8.924 1.329 1.00 35.32 H new ATOM 947 N THR A 67 10.322 -4.918 3.410 1.00 41.14 N ATOM 948 CA THR A 67 10.211 -3.561 3.858 1.00 72.41 C ATOM 949 C THR A 67 9.973 -2.589 2.687 1.00 25.34 C ATOM 950 O THR A 67 10.840 -2.393 1.842 1.00 20.11 O ATOM 951 CB THR A 67 11.464 -3.179 4.671 1.00 2.21 C ATOM 952 OG1 THR A 67 11.574 -4.098 5.789 1.00 52.31 O ATOM 953 CG2 THR A 67 11.366 -1.756 5.192 1.00 1.54 C ATOM 0 H THR A 67 10.886 -5.042 2.569 1.00 41.14 H new ATOM 0 HA THR A 67 9.338 -3.480 4.505 1.00 72.41 H new ATOM 0 HB THR A 67 12.342 -3.241 4.029 1.00 2.21 H new ATOM 0 HG1 THR A 67 12.367 -3.874 6.320 1.00 52.31 H new ATOM 0 HG21 THR A 67 12.263 -1.514 5.761 1.00 1.54 H new ATOM 0 HG22 THR A 67 11.272 -1.067 4.353 1.00 1.54 H new ATOM 0 HG23 THR A 67 10.492 -1.664 5.836 1.00 1.54 H new ATOM 961 N THR A 68 8.796 -2.027 2.631 1.00 70.44 N ATOM 962 CA THR A 68 8.462 -1.050 1.627 1.00 65.13 C ATOM 963 C THR A 68 8.325 0.322 2.304 1.00 14.31 C ATOM 964 O THR A 68 7.446 0.522 3.137 1.00 41.43 O ATOM 965 CB THR A 68 7.131 -1.426 0.926 1.00 1.53 C ATOM 966 OG1 THR A 68 7.228 -2.756 0.389 1.00 33.03 O ATOM 967 CG2 THR A 68 6.809 -0.450 -0.202 1.00 21.01 C ATOM 0 H THR A 68 8.038 -2.234 3.282 1.00 70.44 H new ATOM 0 HA THR A 68 9.249 -1.020 0.873 1.00 65.13 H new ATOM 0 HB THR A 68 6.331 -1.378 1.665 1.00 1.53 H new ATOM 0 HG1 THR A 68 6.386 -2.993 -0.052 1.00 33.03 H new ATOM 0 HG21 THR A 68 5.871 -0.738 -0.676 1.00 21.01 H new ATOM 0 HG22 THR A 68 6.716 0.557 0.204 1.00 21.01 H new ATOM 0 HG23 THR A 68 7.610 -0.471 -0.941 1.00 21.01 H new ATOM 975 N THR A 69 9.196 1.233 1.987 1.00 51.53 N ATOM 976 CA THR A 69 9.150 2.546 2.570 1.00 74.31 C ATOM 977 C THR A 69 8.354 3.509 1.691 1.00 30.04 C ATOM 978 O THR A 69 8.428 3.451 0.455 1.00 3.21 O ATOM 979 CB THR A 69 10.575 3.070 2.798 1.00 30.14 C ATOM 980 OG1 THR A 69 11.358 2.810 1.625 1.00 2.44 O ATOM 981 CG2 THR A 69 11.215 2.394 3.997 1.00 4.31 C ATOM 0 H THR A 69 9.956 1.091 1.321 1.00 51.53 H new ATOM 0 HA THR A 69 8.642 2.479 3.532 1.00 74.31 H new ATOM 0 HB THR A 69 10.531 4.141 2.993 1.00 30.14 H new ATOM 0 HG1 THR A 69 12.270 3.143 1.760 1.00 2.44 H new ATOM 0 HG21 THR A 69 12.224 2.782 4.138 1.00 4.31 H new ATOM 0 HG22 THR A 69 10.621 2.596 4.888 1.00 4.31 H new ATOM 0 HG23 THR A 69 11.260 1.318 3.827 1.00 4.31 H new ATOM 989 N ALA A 70 7.584 4.360 2.315 1.00 41.20 N ATOM 990 CA ALA A 70 6.781 5.332 1.608 1.00 24.13 C ATOM 991 C ALA A 70 7.250 6.723 1.959 1.00 22.22 C ATOM 992 O ALA A 70 7.600 6.992 3.122 1.00 62.12 O ATOM 993 CB ALA A 70 5.313 5.169 1.966 1.00 53.45 C ATOM 0 H ALA A 70 7.493 4.402 3.330 1.00 41.20 H new ATOM 0 HA ALA A 70 6.893 5.173 0.535 1.00 24.13 H new ATOM 0 HB1 ALA A 70 4.722 5.908 1.425 1.00 53.45 H new ATOM 0 HB2 ALA A 70 4.981 4.168 1.692 1.00 53.45 H new ATOM 0 HB3 ALA A 70 5.182 5.314 3.038 1.00 53.45 H new ATOM 999 N GLY A 71 7.288 7.589 0.983 1.00 11.23 N ATOM 1000 CA GLY A 71 7.707 8.925 1.227 1.00 71.11 C ATOM 1001 C GLY A 71 7.914 9.699 -0.041 1.00 42.44 C ATOM 1002 O GLY A 71 7.258 9.433 -1.055 1.00 32.30 O ATOM 0 H GLY A 71 7.033 7.386 0.017 1.00 11.23 H new ATOM 0 HA2 GLY A 71 6.961 9.431 1.841 1.00 71.11 H new ATOM 0 HA3 GLY A 71 8.635 8.913 1.798 1.00 71.11 H new ATOM 1006 N ARG A 72 8.850 10.617 0.032 1.00 23.25 N ATOM 1007 CA ARG A 72 9.186 11.572 -1.020 1.00 72.10 C ATOM 1008 C ARG A 72 9.437 10.923 -2.397 1.00 74.43 C ATOM 1009 O ARG A 72 8.583 11.003 -3.281 1.00 75.14 O ATOM 1010 CB ARG A 72 10.395 12.368 -0.548 1.00 21.11 C ATOM 1011 CG ARG A 72 10.927 13.421 -1.486 1.00 13.33 C ATOM 1012 CD ARG A 72 12.119 14.082 -0.841 1.00 60.44 C ATOM 1013 NE ARG A 72 12.793 15.014 -1.717 1.00 51.32 N ATOM 1014 CZ ARG A 72 14.096 15.291 -1.661 1.00 72.32 C ATOM 1015 NH1 ARG A 72 14.879 14.681 -0.755 1.00 63.42 N ATOM 1016 NH2 ARG A 72 14.618 16.170 -2.507 1.00 45.23 N ATOM 0 H ARG A 72 9.430 10.730 0.863 1.00 23.25 H new ATOM 0 HA ARG A 72 8.328 12.224 -1.183 1.00 72.10 H new ATOM 0 HB2 ARG A 72 10.136 12.852 0.394 1.00 21.11 H new ATOM 0 HB3 ARG A 72 11.201 11.666 -0.334 1.00 21.11 H new ATOM 0 HG2 ARG A 72 11.212 12.971 -2.437 1.00 13.33 H new ATOM 0 HG3 ARG A 72 10.155 14.160 -1.702 1.00 13.33 H new ATOM 0 HD2 ARG A 72 11.794 14.607 0.057 1.00 60.44 H new ATOM 0 HD3 ARG A 72 12.825 13.315 -0.524 1.00 60.44 H new ATOM 0 HE ARG A 72 12.235 15.491 -2.425 1.00 51.32 H new ATOM 0 HH11 ARG A 72 14.477 14.003 -0.107 1.00 63.42 H new ATOM 0 HH12 ARG A 72 15.875 14.896 -0.715 1.00 63.42 H new ATOM 0 HH21 ARG A 72 14.023 16.630 -3.196 1.00 45.23 H new ATOM 0 HH22 ARG A 72 15.614 16.385 -2.468 1.00 45.23 H new ATOM 1030 N HIS A 73 10.591 10.283 -2.570 1.00 1.43 N ATOM 1031 CA HIS A 73 10.953 9.659 -3.849 1.00 23.31 C ATOM 1032 C HIS A 73 12.259 8.818 -3.705 1.00 62.03 C ATOM 1033 O HIS A 73 12.170 7.603 -3.621 1.00 71.20 O ATOM 1034 CB HIS A 73 10.988 10.700 -5.038 1.00 71.15 C ATOM 1035 CG HIS A 73 11.242 10.138 -6.424 1.00 43.22 C ATOM 1036 ND1 HIS A 73 10.327 10.204 -7.449 1.00 70.31 N ATOM 1037 CD2 HIS A 73 12.345 9.549 -6.954 1.00 64.45 C ATOM 1038 CE1 HIS A 73 10.872 9.672 -8.539 1.00 54.34 C ATOM 1039 NE2 HIS A 73 12.109 9.256 -8.297 1.00 2.14 N ATOM 0 H HIS A 73 11.296 10.180 -1.840 1.00 1.43 H new ATOM 0 HA HIS A 73 10.164 8.958 -4.121 1.00 23.31 H new ATOM 0 HB2 HIS A 73 10.036 11.231 -5.055 1.00 71.15 H new ATOM 0 HB3 HIS A 73 11.761 11.438 -4.822 1.00 71.15 H new ATOM 0 HD2 HIS A 73 13.260 9.340 -6.420 1.00 64.45 H new ATOM 0 HE1 HIS A 73 10.374 9.589 -9.494 1.00 54.34 H new ATOM 0 HE2 HIS A 73 12.752 8.815 -8.955 1.00 2.14 H new ATOM 1047 N PRO A 74 13.505 9.430 -3.649 1.00 12.55 N ATOM 1048 CA PRO A 74 14.734 8.633 -3.486 1.00 62.24 C ATOM 1049 C PRO A 74 14.800 7.999 -2.095 1.00 53.54 C ATOM 1050 O PRO A 74 15.400 6.947 -1.886 1.00 24.13 O ATOM 1051 CB PRO A 74 15.869 9.651 -3.678 1.00 4.40 C ATOM 1052 CG PRO A 74 15.274 10.967 -3.320 1.00 31.02 C ATOM 1053 CD PRO A 74 13.822 10.894 -3.703 1.00 44.51 C ATOM 0 HA PRO A 74 14.789 7.805 -4.193 1.00 62.24 H new ATOM 0 HB2 PRO A 74 16.721 9.417 -3.040 1.00 4.40 H new ATOM 0 HB3 PRO A 74 16.231 9.649 -4.706 1.00 4.40 H new ATOM 0 HG2 PRO A 74 15.385 11.166 -2.254 1.00 31.02 H new ATOM 0 HG3 PRO A 74 15.775 11.777 -3.850 1.00 31.02 H new ATOM 0 HD2 PRO A 74 13.198 11.463 -3.013 1.00 44.51 H new ATOM 0 HD3 PRO A 74 13.651 11.303 -4.699 1.00 44.51 H new ATOM 1061 N GLU A 75 14.108 8.641 -1.178 1.00 75.12 N ATOM 1062 CA GLU A 75 14.121 8.316 0.225 1.00 31.43 C ATOM 1063 C GLU A 75 13.057 7.282 0.569 1.00 32.04 C ATOM 1064 O GLU A 75 12.729 7.080 1.738 1.00 72.15 O ATOM 1065 CB GLU A 75 13.882 9.597 1.018 1.00 12.21 C ATOM 1066 CG GLU A 75 14.880 10.692 0.696 1.00 72.05 C ATOM 1067 CD GLU A 75 14.738 11.904 1.569 1.00 2.30 C ATOM 1068 OE1 GLU A 75 15.274 11.888 2.711 1.00 11.32 O ATOM 1069 OE2 GLU A 75 14.145 12.893 1.114 1.00 71.22 O ATOM 0 H GLU A 75 13.501 9.430 -1.401 1.00 75.12 H new ATOM 0 HA GLU A 75 15.088 7.883 0.481 1.00 31.43 H new ATOM 0 HB2 GLU A 75 12.875 9.961 0.814 1.00 12.21 H new ATOM 0 HB3 GLU A 75 13.930 9.372 2.083 1.00 12.21 H new ATOM 0 HG2 GLU A 75 15.890 10.295 0.800 1.00 72.05 H new ATOM 0 HG3 GLU A 75 14.760 10.988 -0.346 1.00 72.05 H new ATOM 1076 N SER A 76 12.534 6.627 -0.428 1.00 22.44 N ATOM 1077 CA SER A 76 11.516 5.657 -0.224 1.00 35.54 C ATOM 1078 C SER A 76 11.531 4.620 -1.333 1.00 32.21 C ATOM 1079 O SER A 76 12.215 4.798 -2.351 1.00 75.32 O ATOM 1080 CB SER A 76 10.167 6.366 -0.127 1.00 24.30 C ATOM 1081 OG SER A 76 9.990 7.288 -1.196 1.00 11.43 O ATOM 0 H SER A 76 12.807 6.756 -1.402 1.00 22.44 H new ATOM 0 HA SER A 76 11.697 5.123 0.709 1.00 35.54 H new ATOM 0 HB2 SER A 76 9.364 5.629 -0.143 1.00 24.30 H new ATOM 0 HB3 SER A 76 10.098 6.892 0.825 1.00 24.30 H new ATOM 0 HG SER A 76 9.230 7.008 -1.747 1.00 11.43 H new ATOM 1087 N ASP A 77 10.821 3.533 -1.115 1.00 54.12 N ATOM 1088 CA ASP A 77 10.686 2.475 -2.098 1.00 64.10 C ATOM 1089 C ASP A 77 9.641 2.897 -3.113 1.00 41.40 C ATOM 1090 O ASP A 77 9.843 2.794 -4.325 1.00 3.04 O ATOM 1091 CB ASP A 77 10.261 1.171 -1.419 1.00 32.14 C ATOM 1092 CG ASP A 77 10.261 -0.011 -2.361 1.00 54.00 C ATOM 1093 OD1 ASP A 77 9.281 -0.224 -3.072 1.00 62.34 O ATOM 1094 OD2 ASP A 77 11.256 -0.761 -2.376 1.00 23.51 O ATOM 0 H ASP A 77 10.318 3.356 -0.246 1.00 54.12 H new ATOM 0 HA ASP A 77 11.642 2.305 -2.593 1.00 64.10 H new ATOM 0 HB2 ASP A 77 10.933 0.965 -0.586 1.00 32.14 H new ATOM 0 HB3 ASP A 77 9.263 1.295 -0.999 1.00 32.14 H new ATOM 1099 N ILE A 78 8.532 3.393 -2.608 1.00 33.33 N ATOM 1100 CA ILE A 78 7.486 3.924 -3.447 1.00 23.10 C ATOM 1101 C ILE A 78 7.521 5.440 -3.370 1.00 55.23 C ATOM 1102 O ILE A 78 7.820 6.014 -2.307 1.00 64.34 O ATOM 1103 CB ILE A 78 6.068 3.382 -3.089 1.00 53.45 C ATOM 1104 CG1 ILE A 78 5.703 3.679 -1.622 1.00 10.10 C ATOM 1105 CG2 ILE A 78 5.982 1.885 -3.385 1.00 62.34 C ATOM 1106 CD1 ILE A 78 4.306 3.239 -1.227 1.00 74.30 C ATOM 0 H ILE A 78 8.333 3.438 -1.609 1.00 33.33 H new ATOM 0 HA ILE A 78 7.676 3.589 -4.467 1.00 23.10 H new ATOM 0 HB ILE A 78 5.341 3.901 -3.714 1.00 53.45 H new ATOM 0 HG12 ILE A 78 6.425 3.184 -0.972 1.00 10.10 H new ATOM 0 HG13 ILE A 78 5.798 4.750 -1.446 1.00 10.10 H new ATOM 0 HG21 ILE A 78 4.987 1.520 -3.130 1.00 62.34 H new ATOM 0 HG22 ILE A 78 6.172 1.712 -4.444 1.00 62.34 H new ATOM 0 HG23 ILE A 78 6.726 1.353 -2.792 1.00 62.34 H new ATOM 0 HD11 ILE A 78 4.130 3.485 -0.180 1.00 74.30 H new ATOM 0 HD12 ILE A 78 3.573 3.753 -1.849 1.00 74.30 H new ATOM 0 HD13 ILE A 78 4.210 2.162 -1.368 1.00 74.30 H new ATOM 1118 N PHE A 79 7.248 6.081 -4.464 1.00 3.31 N ATOM 1119 CA PHE A 79 7.363 7.509 -4.542 1.00 21.30 C ATOM 1120 C PHE A 79 6.026 8.187 -4.775 1.00 42.54 C ATOM 1121 O PHE A 79 5.355 7.956 -5.779 1.00 75.33 O ATOM 1122 CB PHE A 79 8.422 7.920 -5.592 1.00 64.33 C ATOM 1123 CG PHE A 79 8.238 7.366 -6.993 1.00 5.20 C ATOM 1124 CD1 PHE A 79 8.687 6.093 -7.314 1.00 45.30 C ATOM 1125 CD2 PHE A 79 7.639 8.125 -7.987 1.00 1.52 C ATOM 1126 CE1 PHE A 79 8.542 5.589 -8.592 1.00 40.12 C ATOM 1127 CE2 PHE A 79 7.495 7.628 -9.267 1.00 13.20 C ATOM 1128 CZ PHE A 79 7.944 6.358 -9.568 1.00 53.30 C ATOM 0 H PHE A 79 6.940 5.633 -5.327 1.00 3.31 H new ATOM 0 HA PHE A 79 7.709 7.862 -3.570 1.00 21.30 H new ATOM 0 HB2 PHE A 79 8.436 9.008 -5.655 1.00 64.33 H new ATOM 0 HB3 PHE A 79 9.401 7.609 -5.228 1.00 64.33 H new ATOM 0 HD1 PHE A 79 9.157 5.487 -6.553 1.00 45.30 H new ATOM 0 HD2 PHE A 79 7.281 9.117 -7.757 1.00 1.52 H new ATOM 0 HE1 PHE A 79 8.896 4.596 -8.826 1.00 40.12 H new ATOM 0 HE2 PHE A 79 7.031 8.233 -10.032 1.00 13.20 H new ATOM 0 HZ PHE A 79 7.827 5.967 -10.568 1.00 53.30 H new ATOM 1138 N LEU A 80 5.640 8.990 -3.826 1.00 75.34 N ATOM 1139 CA LEU A 80 4.423 9.741 -3.885 1.00 33.43 C ATOM 1140 C LEU A 80 4.732 11.081 -4.538 1.00 31.34 C ATOM 1141 O LEU A 80 5.430 11.910 -3.968 1.00 71.13 O ATOM 1142 CB LEU A 80 3.822 9.943 -2.466 1.00 53.10 C ATOM 1143 CG LEU A 80 3.354 8.686 -1.660 1.00 74.12 C ATOM 1144 CD1 LEU A 80 4.496 7.732 -1.320 1.00 12.13 C ATOM 1145 CD2 LEU A 80 2.668 9.111 -0.383 1.00 41.32 C ATOM 0 H LEU A 80 6.176 9.143 -2.972 1.00 75.34 H new ATOM 0 HA LEU A 80 3.680 9.200 -4.471 1.00 33.43 H new ATOM 0 HB2 LEU A 80 4.566 10.463 -1.863 1.00 53.10 H new ATOM 0 HB3 LEU A 80 2.966 10.611 -2.562 1.00 53.10 H new ATOM 0 HG LEU A 80 2.660 8.149 -2.307 1.00 74.12 H new ATOM 0 HD11 LEU A 80 4.105 6.882 -0.761 1.00 12.13 H new ATOM 0 HD12 LEU A 80 4.961 7.379 -2.240 1.00 12.13 H new ATOM 0 HD13 LEU A 80 5.238 8.254 -0.715 1.00 12.13 H new ATOM 0 HD21 LEU A 80 2.347 8.228 0.169 1.00 41.32 H new ATOM 0 HD22 LEU A 80 3.362 9.688 0.228 1.00 41.32 H new ATOM 0 HD23 LEU A 80 1.799 9.724 -0.623 1.00 41.32 H new ATOM 1157 N ASP A 81 4.212 11.288 -5.731 1.00 74.35 N ATOM 1158 CA ASP A 81 4.553 12.478 -6.536 1.00 44.34 C ATOM 1159 C ASP A 81 3.699 13.715 -6.165 1.00 64.24 C ATOM 1160 O ASP A 81 3.749 14.758 -6.822 1.00 12.03 O ATOM 1161 CB ASP A 81 4.422 12.137 -8.034 1.00 53.43 C ATOM 1162 CG ASP A 81 5.052 13.175 -8.939 1.00 23.12 C ATOM 1163 OD1 ASP A 81 6.304 13.245 -8.995 1.00 11.33 O ATOM 1164 OD2 ASP A 81 4.334 13.938 -9.590 1.00 31.41 O ATOM 0 H ASP A 81 3.549 10.655 -6.178 1.00 74.35 H new ATOM 0 HA ASP A 81 5.585 12.749 -6.314 1.00 44.34 H new ATOM 0 HB2 ASP A 81 4.888 11.170 -8.222 1.00 53.43 H new ATOM 0 HB3 ASP A 81 3.366 12.037 -8.286 1.00 53.43 H new ATOM 1169 N ASP A 82 2.967 13.610 -5.083 1.00 55.04 N ATOM 1170 CA ASP A 82 2.096 14.703 -4.623 1.00 50.32 C ATOM 1171 C ASP A 82 2.947 15.761 -3.946 1.00 15.15 C ATOM 1172 O ASP A 82 3.926 15.440 -3.290 1.00 52.40 O ATOM 1173 CB ASP A 82 1.080 14.174 -3.616 1.00 52.13 C ATOM 1174 CG ASP A 82 -0.040 15.149 -3.250 1.00 74.25 C ATOM 1175 OD1 ASP A 82 0.209 16.153 -2.575 1.00 65.11 O ATOM 1176 OD2 ASP A 82 -1.202 14.891 -3.618 1.00 53.45 O ATOM 0 H ASP A 82 2.946 12.780 -4.491 1.00 55.04 H new ATOM 0 HA ASP A 82 1.571 15.126 -5.479 1.00 50.32 H new ATOM 0 HB2 ASP A 82 0.632 13.265 -4.018 1.00 52.13 H new ATOM 0 HB3 ASP A 82 1.608 13.893 -2.705 1.00 52.13 H new ATOM 1181 N VAL A 83 2.561 16.995 -4.086 1.00 64.32 N ATOM 1182 CA VAL A 83 3.283 18.117 -3.502 1.00 23.51 C ATOM 1183 C VAL A 83 3.198 18.114 -1.948 1.00 22.14 C ATOM 1184 O VAL A 83 4.077 18.636 -1.258 1.00 4.20 O ATOM 1185 CB VAL A 83 2.758 19.468 -4.102 1.00 62.11 C ATOM 1186 CG1 VAL A 83 1.262 19.633 -3.887 1.00 2.03 C ATOM 1187 CG2 VAL A 83 3.514 20.669 -3.552 1.00 14.12 C ATOM 0 H VAL A 83 1.730 17.267 -4.611 1.00 64.32 H new ATOM 0 HA VAL A 83 4.337 18.011 -3.758 1.00 23.51 H new ATOM 0 HB VAL A 83 2.943 19.424 -5.175 1.00 62.11 H new ATOM 0 HG11 VAL A 83 0.935 20.580 -4.316 1.00 2.03 H new ATOM 0 HG12 VAL A 83 0.732 18.813 -4.372 1.00 2.03 H new ATOM 0 HG13 VAL A 83 1.045 19.624 -2.819 1.00 2.03 H new ATOM 0 HG21 VAL A 83 3.117 21.583 -3.995 1.00 14.12 H new ATOM 0 HG22 VAL A 83 3.395 20.709 -2.469 1.00 14.12 H new ATOM 0 HG23 VAL A 83 4.572 20.577 -3.798 1.00 14.12 H new ATOM 1197 N THR A 84 2.196 17.457 -1.417 1.00 71.32 N ATOM 1198 CA THR A 84 1.950 17.440 0.010 1.00 15.13 C ATOM 1199 C THR A 84 2.572 16.170 0.662 1.00 3.13 C ATOM 1200 O THR A 84 2.174 15.751 1.760 1.00 63.14 O ATOM 1201 CB THR A 84 0.428 17.436 0.257 1.00 74.03 C ATOM 1202 OG1 THR A 84 -0.234 18.173 -0.804 1.00 24.11 O ATOM 1203 CG2 THR A 84 0.111 18.111 1.584 1.00 14.23 C ATOM 0 H THR A 84 1.524 16.916 -1.961 1.00 71.32 H new ATOM 0 HA THR A 84 2.408 18.323 0.455 1.00 15.13 H new ATOM 0 HB THR A 84 0.079 16.404 0.278 1.00 74.03 H new ATOM 0 HG1 THR A 84 -0.292 17.612 -1.605 1.00 24.11 H new ATOM 0 HG21 THR A 84 -0.967 18.103 1.748 1.00 14.23 H new ATOM 0 HG22 THR A 84 0.606 17.573 2.393 1.00 14.23 H new ATOM 0 HG23 THR A 84 0.467 19.141 1.562 1.00 14.23 H new ATOM 1211 N VAL A 85 3.561 15.596 0.017 1.00 62.22 N ATOM 1212 CA VAL A 85 4.190 14.386 0.512 1.00 72.23 C ATOM 1213 C VAL A 85 5.230 14.728 1.585 1.00 10.53 C ATOM 1214 O VAL A 85 5.881 15.770 1.526 1.00 60.31 O ATOM 1215 CB VAL A 85 4.858 13.552 -0.635 1.00 44.51 C ATOM 1216 CG1 VAL A 85 6.029 14.288 -1.283 1.00 32.23 C ATOM 1217 CG2 VAL A 85 5.297 12.189 -0.133 1.00 44.21 C ATOM 0 H VAL A 85 3.952 15.947 -0.857 1.00 62.22 H new ATOM 0 HA VAL A 85 3.404 13.771 0.949 1.00 72.23 H new ATOM 0 HB VAL A 85 4.099 13.413 -1.404 1.00 44.51 H new ATOM 0 HG11 VAL A 85 6.457 13.668 -2.071 1.00 32.23 H new ATOM 0 HG12 VAL A 85 5.677 15.227 -1.711 1.00 32.23 H new ATOM 0 HG13 VAL A 85 6.790 14.495 -0.530 1.00 32.23 H new ATOM 0 HG21 VAL A 85 5.757 11.632 -0.949 1.00 44.21 H new ATOM 0 HG22 VAL A 85 6.019 12.314 0.674 1.00 44.21 H new ATOM 0 HG23 VAL A 85 4.430 11.641 0.237 1.00 44.21 H new ATOM 1227 N SER A 86 5.300 13.923 2.610 1.00 62.23 N ATOM 1228 CA SER A 86 6.301 14.087 3.627 1.00 30.35 C ATOM 1229 C SER A 86 7.603 13.417 3.146 1.00 54.33 C ATOM 1230 O SER A 86 7.556 12.542 2.279 1.00 13.31 O ATOM 1231 CB SER A 86 5.778 13.464 4.910 1.00 22.21 C ATOM 1232 OG SER A 86 4.497 14.031 5.206 1.00 31.12 O ATOM 0 H SER A 86 4.667 13.138 2.763 1.00 62.23 H new ATOM 0 HA SER A 86 6.516 15.138 3.819 1.00 30.35 H new ATOM 0 HB2 SER A 86 5.696 12.383 4.799 1.00 22.21 H new ATOM 0 HB3 SER A 86 6.472 13.649 5.730 1.00 22.21 H new ATOM 0 HG SER A 86 4.435 14.924 4.808 1.00 31.12 H new ATOM 1238 N ARG A 87 8.749 13.846 3.676 1.00 34.03 N ATOM 1239 CA ARG A 87 10.038 13.292 3.244 1.00 11.31 C ATOM 1240 C ARG A 87 10.094 11.815 3.582 1.00 34.43 C ATOM 1241 O ARG A 87 10.317 10.961 2.709 1.00 31.32 O ATOM 1242 CB ARG A 87 11.215 14.025 3.898 1.00 63.43 C ATOM 1243 CG ARG A 87 11.201 15.533 3.694 1.00 74.32 C ATOM 1244 CD ARG A 87 12.463 16.177 4.239 1.00 73.24 C ATOM 1245 NE ARG A 87 13.615 15.921 3.372 1.00 21.44 N ATOM 1246 CZ ARG A 87 14.717 15.221 3.695 1.00 33.35 C ATOM 1247 NH1 ARG A 87 14.811 14.581 4.858 1.00 0.23 N ATOM 1248 NH2 ARG A 87 15.712 15.160 2.839 1.00 50.44 N ATOM 0 H ARG A 87 8.815 14.566 4.396 1.00 34.03 H new ATOM 0 HA ARG A 87 10.122 13.428 2.166 1.00 11.31 H new ATOM 0 HB2 ARG A 87 11.211 13.814 4.967 1.00 63.43 H new ATOM 0 HB3 ARG A 87 12.146 13.624 3.498 1.00 63.43 H new ATOM 0 HG2 ARG A 87 11.106 15.757 2.632 1.00 74.32 H new ATOM 0 HG3 ARG A 87 10.329 15.961 4.189 1.00 74.32 H new ATOM 0 HD2 ARG A 87 12.311 17.252 4.336 1.00 73.24 H new ATOM 0 HD3 ARG A 87 12.666 15.793 5.238 1.00 73.24 H new ATOM 0 HE ARG A 87 13.578 16.312 2.431 1.00 21.44 H new ATOM 0 HH11 ARG A 87 14.039 14.616 5.523 1.00 0.23 H new ATOM 0 HH12 ARG A 87 15.655 14.055 5.084 1.00 0.23 H new ATOM 0 HH21 ARG A 87 15.643 15.640 1.942 1.00 50.44 H new ATOM 0 HH22 ARG A 87 16.553 14.632 3.072 1.00 50.44 H new ATOM 1262 N ARG A 88 9.865 11.528 4.834 1.00 42.14 N ATOM 1263 CA ARG A 88 9.781 10.185 5.328 1.00 44.33 C ATOM 1264 C ARG A 88 8.372 10.037 5.844 1.00 61.33 C ATOM 1265 O ARG A 88 7.988 10.722 6.791 1.00 70.31 O ATOM 1266 CB ARG A 88 10.799 9.965 6.458 1.00 71.23 C ATOM 1267 CG ARG A 88 12.243 10.276 6.065 1.00 73.41 C ATOM 1268 CD ARG A 88 12.750 9.349 4.971 1.00 52.05 C ATOM 1269 NE ARG A 88 14.065 9.762 4.471 1.00 32.04 N ATOM 1270 CZ ARG A 88 15.091 8.947 4.203 1.00 63.10 C ATOM 1271 NH1 ARG A 88 15.015 7.643 4.447 1.00 73.22 N ATOM 1272 NH2 ARG A 88 16.179 9.452 3.664 1.00 63.02 N ATOM 0 H ARG A 88 9.729 12.238 5.553 1.00 42.14 H new ATOM 0 HA ARG A 88 10.006 9.451 4.554 1.00 44.33 H new ATOM 0 HB2 ARG A 88 10.523 10.589 7.308 1.00 71.23 H new ATOM 0 HB3 ARG A 88 10.739 8.929 6.790 1.00 71.23 H new ATOM 0 HG2 ARG A 88 12.311 11.309 5.725 1.00 73.41 H new ATOM 0 HG3 ARG A 88 12.884 10.186 6.942 1.00 73.41 H new ATOM 0 HD2 ARG A 88 12.811 8.331 5.357 1.00 52.05 H new ATOM 0 HD3 ARG A 88 12.036 9.335 4.147 1.00 52.05 H new ATOM 0 HE ARG A 88 14.210 10.759 4.314 1.00 32.04 H new ATOM 0 HH11 ARG A 88 14.163 7.248 4.846 1.00 73.22 H new ATOM 0 HH12 ARG A 88 15.808 7.038 4.236 1.00 73.22 H new ATOM 0 HH21 ARG A 88 16.230 10.450 3.457 1.00 63.02 H new ATOM 0 HH22 ARG A 88 16.972 8.846 3.452 1.00 63.02 H new ATOM 1286 N HIS A 89 7.592 9.220 5.191 1.00 13.53 N ATOM 1287 CA HIS A 89 6.194 9.097 5.528 1.00 31.05 C ATOM 1288 C HIS A 89 5.962 7.872 6.432 1.00 21.12 C ATOM 1289 O HIS A 89 5.860 7.992 7.658 1.00 54.51 O ATOM 1290 CB HIS A 89 5.347 9.045 4.216 1.00 11.24 C ATOM 1291 CG HIS A 89 3.852 9.055 4.389 1.00 12.43 C ATOM 1292 ND1 HIS A 89 3.088 10.146 4.035 1.00 42.53 N ATOM 1293 CD2 HIS A 89 3.041 8.090 4.859 1.00 71.24 C ATOM 1294 CE1 HIS A 89 1.840 9.801 4.305 1.00 11.00 C ATOM 1295 NE2 HIS A 89 1.770 8.571 4.811 1.00 1.55 N ATOM 0 H HIS A 89 7.898 8.627 4.420 1.00 13.53 H new ATOM 0 HA HIS A 89 5.871 9.968 6.098 1.00 31.05 H new ATOM 0 HB2 HIS A 89 5.626 9.896 3.595 1.00 11.24 H new ATOM 0 HB3 HIS A 89 5.622 8.145 3.666 1.00 11.24 H new ATOM 0 HD1 HIS A 89 3.415 11.031 3.647 1.00 42.53 H new ATOM 0 HD2 HIS A 89 3.343 7.114 5.209 1.00 71.24 H new ATOM 0 HE1 HIS A 89 0.984 10.438 4.136 1.00 11.00 H new ATOM 1303 N ALA A 90 5.969 6.702 5.860 1.00 25.01 N ATOM 1304 CA ALA A 90 5.678 5.513 6.620 1.00 23.11 C ATOM 1305 C ALA A 90 6.472 4.354 6.106 1.00 11.11 C ATOM 1306 O ALA A 90 7.081 4.428 5.031 1.00 13.13 O ATOM 1307 CB ALA A 90 4.185 5.190 6.574 1.00 42.31 C ATOM 0 H ALA A 90 6.172 6.542 4.873 1.00 25.01 H new ATOM 0 HA ALA A 90 5.959 5.698 7.657 1.00 23.11 H new ATOM 0 HB1 ALA A 90 3.990 4.288 7.155 1.00 42.31 H new ATOM 0 HB2 ALA A 90 3.620 6.022 6.994 1.00 42.31 H new ATOM 0 HB3 ALA A 90 3.879 5.029 5.540 1.00 42.31 H new ATOM 1313 N GLU A 91 6.486 3.303 6.859 1.00 11.41 N ATOM 1314 CA GLU A 91 7.162 2.103 6.466 1.00 34.51 C ATOM 1315 C GLU A 91 6.204 0.916 6.581 1.00 74.02 C ATOM 1316 O GLU A 91 5.550 0.723 7.613 1.00 2.21 O ATOM 1317 CB GLU A 91 8.411 1.897 7.324 1.00 13.34 C ATOM 1318 CG GLU A 91 9.267 0.724 6.896 1.00 5.53 C ATOM 1319 CD GLU A 91 10.492 0.559 7.758 1.00 23.52 C ATOM 1320 OE1 GLU A 91 10.377 0.040 8.874 1.00 65.34 O ATOM 1321 OE2 GLU A 91 11.593 0.935 7.338 1.00 23.12 O ATOM 0 H GLU A 91 6.028 3.249 7.769 1.00 11.41 H new ATOM 0 HA GLU A 91 7.483 2.186 5.428 1.00 34.51 H new ATOM 0 HB2 GLU A 91 9.014 2.804 7.292 1.00 13.34 H new ATOM 0 HB3 GLU A 91 8.107 1.752 8.361 1.00 13.34 H new ATOM 0 HG2 GLU A 91 8.673 -0.189 6.936 1.00 5.53 H new ATOM 0 HG3 GLU A 91 9.572 0.860 5.859 1.00 5.53 H new ATOM 1328 N PHE A 92 6.106 0.165 5.517 1.00 61.04 N ATOM 1329 CA PHE A 92 5.256 -1.004 5.444 1.00 44.43 C ATOM 1330 C PHE A 92 6.132 -2.241 5.538 1.00 30.32 C ATOM 1331 O PHE A 92 7.038 -2.434 4.714 1.00 73.43 O ATOM 1332 CB PHE A 92 4.482 -1.031 4.107 1.00 60.34 C ATOM 1333 CG PHE A 92 3.523 0.121 3.880 1.00 72.40 C ATOM 1334 CD1 PHE A 92 3.982 1.374 3.493 1.00 23.43 C ATOM 1335 CD2 PHE A 92 2.162 -0.060 4.046 1.00 3.32 C ATOM 1336 CE1 PHE A 92 3.102 2.415 3.281 1.00 64.23 C ATOM 1337 CE2 PHE A 92 1.275 0.980 3.832 1.00 44.54 C ATOM 1338 CZ PHE A 92 1.746 2.220 3.452 1.00 71.50 C ATOM 0 H PHE A 92 6.623 0.348 4.657 1.00 61.04 H new ATOM 0 HA PHE A 92 4.536 -0.978 6.262 1.00 44.43 H new ATOM 0 HB2 PHE A 92 5.204 -1.045 3.290 1.00 60.34 H new ATOM 0 HB3 PHE A 92 3.920 -1.964 4.052 1.00 60.34 H new ATOM 0 HD1 PHE A 92 5.041 1.535 3.356 1.00 23.43 H new ATOM 0 HD2 PHE A 92 1.786 -1.027 4.347 1.00 3.32 H new ATOM 0 HE1 PHE A 92 3.474 3.383 2.981 1.00 64.23 H new ATOM 0 HE2 PHE A 92 0.215 0.821 3.962 1.00 44.54 H new ATOM 0 HZ PHE A 92 1.056 3.035 3.289 1.00 71.50 H new ATOM 1348 N ARG A 93 5.900 -3.049 6.528 1.00 51.32 N ATOM 1349 CA ARG A 93 6.672 -4.245 6.728 1.00 31.20 C ATOM 1350 C ARG A 93 5.798 -5.481 6.664 1.00 42.45 C ATOM 1351 O ARG A 93 4.664 -5.502 7.170 1.00 33.01 O ATOM 1352 CB ARG A 93 7.387 -4.242 8.092 1.00 72.21 C ATOM 1353 CG ARG A 93 8.459 -3.185 8.283 1.00 25.05 C ATOM 1354 CD ARG A 93 9.122 -3.353 9.646 1.00 41.14 C ATOM 1355 NE ARG A 93 10.230 -2.419 9.854 1.00 41.32 N ATOM 1356 CZ ARG A 93 11.302 -2.638 10.620 1.00 61.21 C ATOM 1357 NH1 ARG A 93 11.488 -3.824 11.217 1.00 0.41 N ATOM 1358 NH2 ARG A 93 12.203 -1.676 10.760 1.00 23.31 N ATOM 0 H ARG A 93 5.169 -2.900 7.223 1.00 51.32 H new ATOM 0 HA ARG A 93 7.411 -4.266 5.927 1.00 31.20 H new ATOM 0 HB2 ARG A 93 6.637 -4.114 8.872 1.00 72.21 H new ATOM 0 HB3 ARG A 93 7.841 -5.222 8.244 1.00 72.21 H new ATOM 0 HG2 ARG A 93 9.206 -3.267 7.494 1.00 25.05 H new ATOM 0 HG3 ARG A 93 8.019 -2.191 8.204 1.00 25.05 H new ATOM 0 HD2 ARG A 93 8.377 -3.207 10.428 1.00 41.14 H new ATOM 0 HD3 ARG A 93 9.490 -4.374 9.743 1.00 41.14 H new ATOM 0 HE ARG A 93 10.179 -1.522 9.371 1.00 41.32 H new ATOM 0 HH11 ARG A 93 10.807 -4.572 11.089 1.00 0.41 H new ATOM 0 HH12 ARG A 93 12.311 -3.978 11.799 1.00 0.41 H new ATOM 0 HH21 ARG A 93 12.073 -0.782 10.286 1.00 23.31 H new ATOM 0 HH22 ARG A 93 13.027 -1.829 11.342 1.00 23.31 H new ATOM 1372 N ILE A 94 6.333 -6.504 6.080 1.00 41.02 N ATOM 1373 CA ILE A 94 5.710 -7.794 6.088 1.00 54.15 C ATOM 1374 C ILE A 94 6.672 -8.672 6.869 1.00 33.41 C ATOM 1375 O ILE A 94 7.858 -8.776 6.542 1.00 1.33 O ATOM 1376 CB ILE A 94 5.373 -8.330 4.623 1.00 63.11 C ATOM 1377 CG1 ILE A 94 4.534 -9.653 4.610 1.00 2.52 C ATOM 1378 CG2 ILE A 94 6.603 -8.456 3.738 1.00 30.53 C ATOM 1379 CD1 ILE A 94 5.248 -10.921 5.065 1.00 24.54 C ATOM 0 H ILE A 94 7.221 -6.471 5.579 1.00 41.02 H new ATOM 0 HA ILE A 94 4.726 -7.778 6.558 1.00 54.15 H new ATOM 0 HB ILE A 94 4.738 -7.555 4.194 1.00 63.11 H new ATOM 0 HG12 ILE A 94 3.660 -9.508 5.245 1.00 2.52 H new ATOM 0 HG13 ILE A 94 4.168 -9.814 3.596 1.00 2.52 H new ATOM 0 HG21 ILE A 94 6.308 -8.825 2.756 1.00 30.53 H new ATOM 0 HG22 ILE A 94 7.076 -7.480 3.632 1.00 30.53 H new ATOM 0 HG23 ILE A 94 7.307 -9.154 4.191 1.00 30.53 H new ATOM 0 HD11 ILE A 94 4.561 -11.765 5.010 1.00 24.54 H new ATOM 0 HD12 ILE A 94 6.105 -11.108 4.418 1.00 24.54 H new ATOM 0 HD13 ILE A 94 5.589 -10.797 6.093 1.00 24.54 H new ATOM 1391 N ASN A 95 6.185 -9.208 7.942 1.00 54.21 N ATOM 1392 CA ASN A 95 7.000 -9.896 8.907 1.00 32.32 C ATOM 1393 C ASN A 95 6.669 -11.378 8.873 1.00 22.21 C ATOM 1394 O ASN A 95 5.535 -11.745 8.588 1.00 31.05 O ATOM 1395 CB ASN A 95 6.733 -9.293 10.322 1.00 40.41 C ATOM 1396 CG ASN A 95 7.698 -9.740 11.430 1.00 54.02 C ATOM 1397 OD1 ASN A 95 8.269 -10.809 11.397 1.00 1.14 O ATOM 1398 ND2 ASN A 95 7.847 -8.927 12.435 1.00 13.42 N ATOM 0 H ASN A 95 5.194 -9.183 8.182 1.00 54.21 H new ATOM 0 HA ASN A 95 8.057 -9.773 8.671 1.00 32.32 H new ATOM 0 HB2 ASN A 95 6.774 -8.206 10.247 1.00 40.41 H new ATOM 0 HB3 ASN A 95 5.718 -9.554 10.622 1.00 40.41 H new ATOM 0 HD21 ASN A 95 8.453 -9.185 13.214 1.00 13.42 H new ATOM 0 HD22 ASN A 95 7.358 -8.032 12.444 1.00 13.42 H new ATOM 1405 N GLU A 96 7.661 -12.212 9.125 1.00 12.43 N ATOM 1406 CA GLU A 96 7.552 -13.692 9.219 1.00 41.34 C ATOM 1407 C GLU A 96 6.623 -14.139 10.417 1.00 0.51 C ATOM 1408 O GLU A 96 6.797 -15.208 11.009 1.00 12.14 O ATOM 1409 CB GLU A 96 8.971 -14.236 9.433 1.00 70.51 C ATOM 1410 CG GLU A 96 9.618 -13.743 10.725 1.00 63.32 C ATOM 1411 CD GLU A 96 11.085 -14.095 10.846 1.00 24.12 C ATOM 1412 OE1 GLU A 96 11.428 -15.290 10.877 1.00 21.22 O ATOM 1413 OE2 GLU A 96 11.925 -13.175 10.906 1.00 44.52 O ATOM 0 H GLU A 96 8.614 -11.882 9.279 1.00 12.43 H new ATOM 0 HA GLU A 96 7.103 -14.084 8.306 1.00 41.34 H new ATOM 0 HB2 GLU A 96 8.937 -15.325 9.444 1.00 70.51 H new ATOM 0 HB3 GLU A 96 9.595 -13.945 8.588 1.00 70.51 H new ATOM 0 HG2 GLU A 96 9.507 -12.660 10.786 1.00 63.32 H new ATOM 0 HG3 GLU A 96 9.081 -14.166 11.574 1.00 63.32 H new ATOM 1420 N GLY A 97 5.641 -13.334 10.710 1.00 30.24 N ATOM 1421 CA GLY A 97 4.722 -13.578 11.775 1.00 2.04 C ATOM 1422 C GLY A 97 3.565 -12.596 11.746 1.00 14.43 C ATOM 1423 O GLY A 97 2.425 -12.971 12.003 1.00 34.51 O ATOM 0 H GLY A 97 5.457 -12.470 10.200 1.00 30.24 H new ATOM 0 HA2 GLY A 97 4.339 -14.596 11.701 1.00 2.04 H new ATOM 0 HA3 GLY A 97 5.242 -13.502 12.730 1.00 2.04 H new ATOM 1427 N GLU A 98 3.849 -11.341 11.414 1.00 13.24 N ATOM 1428 CA GLU A 98 2.827 -10.300 11.413 1.00 33.31 C ATOM 1429 C GLU A 98 2.887 -9.471 10.138 1.00 42.24 C ATOM 1430 O GLU A 98 3.749 -9.656 9.299 1.00 64.14 O ATOM 1431 CB GLU A 98 3.052 -9.323 12.567 1.00 32.14 C ATOM 1432 CG GLU A 98 3.103 -9.915 13.951 1.00 11.24 C ATOM 1433 CD GLU A 98 3.275 -8.840 14.984 1.00 45.35 C ATOM 1434 OE1 GLU A 98 4.360 -8.204 15.034 1.00 73.52 O ATOM 1435 OE2 GLU A 98 2.331 -8.599 15.765 1.00 2.31 O ATOM 0 H GLU A 98 4.778 -11.020 11.142 1.00 13.24 H new ATOM 0 HA GLU A 98 1.867 -10.809 11.502 1.00 33.31 H new ATOM 0 HB2 GLU A 98 3.988 -8.794 12.388 1.00 32.14 H new ATOM 0 HB3 GLU A 98 2.256 -8.579 12.544 1.00 32.14 H new ATOM 0 HG2 GLU A 98 2.186 -10.471 14.148 1.00 11.24 H new ATOM 0 HG3 GLU A 98 3.927 -10.625 14.018 1.00 11.24 H new ATOM 1442 N PHE A 99 1.975 -8.553 10.032 1.00 21.20 N ATOM 1443 CA PHE A 99 1.969 -7.554 8.997 1.00 52.11 C ATOM 1444 C PHE A 99 1.973 -6.232 9.747 1.00 41.30 C ATOM 1445 O PHE A 99 1.074 -5.984 10.558 1.00 60.33 O ATOM 1446 CB PHE A 99 0.717 -7.673 8.106 1.00 74.41 C ATOM 1447 CG PHE A 99 0.552 -9.001 7.408 1.00 72.12 C ATOM 1448 CD1 PHE A 99 1.132 -9.224 6.169 1.00 52.32 C ATOM 1449 CD2 PHE A 99 -0.196 -10.020 7.984 1.00 11.41 C ATOM 1450 CE1 PHE A 99 0.974 -10.434 5.520 1.00 22.14 C ATOM 1451 CE2 PHE A 99 -0.356 -11.233 7.340 1.00 42.14 C ATOM 1452 CZ PHE A 99 0.230 -11.439 6.105 1.00 42.43 C ATOM 0 H PHE A 99 1.191 -8.473 10.679 1.00 21.20 H new ATOM 0 HA PHE A 99 2.821 -7.658 8.325 1.00 52.11 H new ATOM 0 HB2 PHE A 99 -0.165 -7.490 8.720 1.00 74.41 H new ATOM 0 HB3 PHE A 99 0.750 -6.886 7.353 1.00 74.41 H new ATOM 0 HD1 PHE A 99 1.715 -8.442 5.705 1.00 52.32 H new ATOM 0 HD2 PHE A 99 -0.658 -9.863 8.947 1.00 11.41 H new ATOM 0 HE1 PHE A 99 1.433 -10.593 4.555 1.00 22.14 H new ATOM 0 HE2 PHE A 99 -0.938 -12.018 7.801 1.00 42.14 H new ATOM 0 HZ PHE A 99 0.106 -12.385 5.599 1.00 42.43 H new ATOM 1462 N GLU A 100 2.954 -5.407 9.522 1.00 12.31 N ATOM 1463 CA GLU A 100 3.143 -4.235 10.359 1.00 5.44 C ATOM 1464 C GLU A 100 3.334 -2.980 9.523 1.00 24.32 C ATOM 1465 O GLU A 100 4.172 -2.943 8.638 1.00 15.41 O ATOM 1466 CB GLU A 100 4.367 -4.484 11.268 1.00 43.43 C ATOM 1467 CG GLU A 100 4.724 -3.361 12.232 1.00 14.12 C ATOM 1468 CD GLU A 100 5.937 -3.705 13.076 1.00 35.22 C ATOM 1469 OE1 GLU A 100 7.083 -3.537 12.601 1.00 54.44 O ATOM 1470 OE2 GLU A 100 5.767 -4.191 14.234 1.00 23.44 O ATOM 0 H GLU A 100 3.638 -5.514 8.773 1.00 12.31 H new ATOM 0 HA GLU A 100 2.253 -4.074 10.967 1.00 5.44 H new ATOM 0 HB2 GLU A 100 4.186 -5.389 11.848 1.00 43.43 H new ATOM 0 HB3 GLU A 100 5.232 -4.680 10.634 1.00 43.43 H new ATOM 0 HG2 GLU A 100 4.920 -2.448 11.670 1.00 14.12 H new ATOM 0 HG3 GLU A 100 3.874 -3.158 12.883 1.00 14.12 H new ATOM 1477 N VAL A 101 2.555 -1.965 9.794 1.00 13.11 N ATOM 1478 CA VAL A 101 2.710 -0.709 9.113 1.00 43.44 C ATOM 1479 C VAL A 101 2.864 0.406 10.135 1.00 33.15 C ATOM 1480 O VAL A 101 1.998 0.618 11.001 1.00 23.42 O ATOM 1481 CB VAL A 101 1.564 -0.418 8.080 1.00 62.20 C ATOM 1482 CG1 VAL A 101 0.184 -0.504 8.714 1.00 55.01 C ATOM 1483 CG2 VAL A 101 1.761 0.944 7.425 1.00 5.50 C ATOM 0 H VAL A 101 1.805 -1.986 10.484 1.00 13.11 H new ATOM 0 HA VAL A 101 3.617 -0.764 8.512 1.00 43.44 H new ATOM 0 HB VAL A 101 1.621 -1.192 7.314 1.00 62.20 H new ATOM 0 HG11 VAL A 101 -0.576 -0.295 7.961 1.00 55.01 H new ATOM 0 HG12 VAL A 101 0.030 -1.505 9.117 1.00 55.01 H new ATOM 0 HG13 VAL A 101 0.107 0.227 9.519 1.00 55.01 H new ATOM 0 HG21 VAL A 101 0.956 1.125 6.713 1.00 5.50 H new ATOM 0 HG22 VAL A 101 1.751 1.720 8.190 1.00 5.50 H new ATOM 0 HG23 VAL A 101 2.718 0.962 6.903 1.00 5.50 H new ATOM 1493 N VAL A 102 3.982 1.068 10.075 1.00 45.21 N ATOM 1494 CA VAL A 102 4.296 2.107 11.017 1.00 73.23 C ATOM 1495 C VAL A 102 4.499 3.449 10.338 1.00 32.50 C ATOM 1496 O VAL A 102 5.131 3.540 9.278 1.00 51.04 O ATOM 1497 CB VAL A 102 5.537 1.754 11.891 1.00 4.14 C ATOM 1498 CG1 VAL A 102 5.230 0.576 12.807 1.00 75.21 C ATOM 1499 CG2 VAL A 102 6.753 1.435 11.019 1.00 64.32 C ATOM 0 H VAL A 102 4.703 0.905 9.373 1.00 45.21 H new ATOM 0 HA VAL A 102 3.431 2.186 11.676 1.00 73.23 H new ATOM 0 HB VAL A 102 5.771 2.626 12.502 1.00 4.14 H new ATOM 0 HG11 VAL A 102 6.109 0.345 13.409 1.00 75.21 H new ATOM 0 HG12 VAL A 102 4.398 0.832 13.463 1.00 75.21 H new ATOM 0 HG13 VAL A 102 4.963 -0.293 12.205 1.00 75.21 H new ATOM 0 HG21 VAL A 102 7.604 1.192 11.656 1.00 64.32 H new ATOM 0 HG22 VAL A 102 6.527 0.584 10.376 1.00 64.32 H new ATOM 0 HG23 VAL A 102 6.996 2.301 10.403 1.00 64.32 H new ATOM 1509 N ASP A 103 3.946 4.467 10.924 1.00 23.55 N ATOM 1510 CA ASP A 103 4.143 5.824 10.471 1.00 31.42 C ATOM 1511 C ASP A 103 5.451 6.295 11.075 1.00 72.20 C ATOM 1512 O ASP A 103 5.704 6.060 12.269 1.00 24.25 O ATOM 1513 CB ASP A 103 2.993 6.693 10.991 1.00 34.01 C ATOM 1514 CG ASP A 103 3.024 8.112 10.500 1.00 73.54 C ATOM 1515 OD1 ASP A 103 3.813 8.926 11.001 1.00 2.14 O ATOM 1516 OD2 ASP A 103 2.224 8.442 9.618 1.00 53.12 O ATOM 0 H ASP A 103 3.338 4.386 11.739 1.00 23.55 H new ATOM 0 HA ASP A 103 4.168 5.888 9.383 1.00 31.42 H new ATOM 0 HB2 ASP A 103 2.047 6.239 10.696 1.00 34.01 H new ATOM 0 HB3 ASP A 103 3.019 6.697 12.081 1.00 34.01 H new ATOM 1521 N VAL A 104 6.309 6.886 10.286 1.00 31.23 N ATOM 1522 CA VAL A 104 7.586 7.338 10.820 1.00 1.43 C ATOM 1523 C VAL A 104 7.625 8.854 11.026 1.00 62.33 C ATOM 1524 O VAL A 104 8.671 9.411 11.383 1.00 73.34 O ATOM 1525 CB VAL A 104 8.817 6.857 9.982 1.00 4.34 C ATOM 1526 CG1 VAL A 104 8.867 5.335 9.911 1.00 22.33 C ATOM 1527 CG2 VAL A 104 8.831 7.459 8.586 1.00 34.23 C ATOM 0 H VAL A 104 6.162 7.067 9.293 1.00 31.23 H new ATOM 0 HA VAL A 104 7.669 6.863 11.798 1.00 1.43 H new ATOM 0 HB VAL A 104 9.710 7.211 10.497 1.00 4.34 H new ATOM 0 HG11 VAL A 104 9.731 5.026 9.323 1.00 22.33 H new ATOM 0 HG12 VAL A 104 8.948 4.926 10.918 1.00 22.33 H new ATOM 0 HG13 VAL A 104 7.957 4.963 9.441 1.00 22.33 H new ATOM 0 HG21 VAL A 104 9.703 7.096 8.042 1.00 34.23 H new ATOM 0 HG22 VAL A 104 7.925 7.167 8.055 1.00 34.23 H new ATOM 0 HG23 VAL A 104 8.875 8.546 8.659 1.00 34.23 H new ATOM 1537 N GLY A 105 6.492 9.503 10.862 1.00 1.13 N ATOM 1538 CA GLY A 105 6.431 10.933 11.048 1.00 63.53 C ATOM 1539 C GLY A 105 5.810 11.642 9.868 1.00 1.22 C ATOM 1540 O GLY A 105 6.376 12.612 9.350 1.00 31.22 O ATOM 0 H GLY A 105 5.608 9.065 10.602 1.00 1.13 H new ATOM 0 HA2 GLY A 105 5.855 11.155 11.946 1.00 63.53 H new ATOM 0 HA3 GLY A 105 7.437 11.319 11.211 1.00 63.53 H new ATOM 1544 N SER A 106 4.647 11.200 9.464 1.00 24.52 N ATOM 1545 CA SER A 106 3.992 11.762 8.301 1.00 55.23 C ATOM 1546 C SER A 106 3.266 13.060 8.618 1.00 71.33 C ATOM 1547 O SER A 106 2.406 13.109 9.500 1.00 70.41 O ATOM 1548 CB SER A 106 2.974 10.788 7.763 1.00 61.10 C ATOM 1549 OG SER A 106 3.530 9.531 7.598 1.00 53.44 O ATOM 0 H SER A 106 4.129 10.450 9.922 1.00 24.52 H new ATOM 0 HA SER A 106 4.774 11.963 7.569 1.00 55.23 H new ATOM 0 HB2 SER A 106 2.126 10.728 8.446 1.00 61.10 H new ATOM 0 HB3 SER A 106 2.590 11.148 6.809 1.00 61.10 H new ATOM 0 HG SER A 106 3.050 8.885 8.157 1.00 53.44 H new ATOM 1555 N LEU A 107 3.574 14.092 7.869 1.00 30.31 N ATOM 1556 CA LEU A 107 2.852 15.349 7.970 1.00 5.34 C ATOM 1557 C LEU A 107 1.592 15.219 7.137 1.00 73.41 C ATOM 1558 O LEU A 107 0.614 15.948 7.310 1.00 54.01 O ATOM 1559 CB LEU A 107 3.666 16.546 7.434 1.00 13.34 C ATOM 1560 CG LEU A 107 4.943 16.973 8.186 1.00 61.24 C ATOM 1561 CD1 LEU A 107 6.064 15.953 8.050 1.00 42.50 C ATOM 1562 CD2 LEU A 107 5.403 18.334 7.696 1.00 61.31 C ATOM 0 H LEU A 107 4.324 14.091 7.177 1.00 30.31 H new ATOM 0 HA LEU A 107 2.642 15.540 9.022 1.00 5.34 H new ATOM 0 HB2 LEU A 107 3.949 16.319 6.406 1.00 13.34 H new ATOM 0 HB3 LEU A 107 3.000 17.408 7.398 1.00 13.34 H new ATOM 0 HG LEU A 107 4.694 17.033 9.245 1.00 61.24 H new ATOM 0 HD11 LEU A 107 6.940 16.300 8.597 1.00 42.50 H new ATOM 0 HD12 LEU A 107 5.737 14.997 8.458 1.00 42.50 H new ATOM 0 HD13 LEU A 107 6.319 15.830 6.997 1.00 42.50 H new ATOM 0 HD21 LEU A 107 6.305 18.628 8.232 1.00 61.31 H new ATOM 0 HD22 LEU A 107 5.616 18.283 6.628 1.00 61.31 H new ATOM 0 HD23 LEU A 107 4.619 19.069 7.875 1.00 61.31 H new ATOM 1574 N ASN A 108 1.650 14.290 6.205 1.00 21.30 N ATOM 1575 CA ASN A 108 0.554 14.013 5.301 1.00 44.24 C ATOM 1576 C ASN A 108 -0.559 13.237 6.042 1.00 65.01 C ATOM 1577 O ASN A 108 -1.742 13.398 5.749 1.00 32.20 O ATOM 1578 CB ASN A 108 1.088 13.241 4.086 1.00 42.04 C ATOM 1579 CG ASN A 108 0.069 13.050 2.979 1.00 32.12 C ATOM 1580 OD1 ASN A 108 -0.680 12.104 2.979 1.00 53.12 O ATOM 1581 ND2 ASN A 108 0.078 13.931 2.009 1.00 74.31 N ATOM 0 H ASN A 108 2.468 13.700 6.053 1.00 21.30 H new ATOM 0 HA ASN A 108 0.113 14.944 4.943 1.00 44.24 H new ATOM 0 HB2 ASN A 108 1.952 13.770 3.683 1.00 42.04 H new ATOM 0 HB3 ASN A 108 1.439 12.263 4.416 1.00 42.04 H new ATOM 0 HD21 ASN A 108 -0.562 13.829 1.221 1.00 74.31 H new ATOM 0 HD22 ASN A 108 0.725 14.719 2.042 1.00 74.31 H new ATOM 1588 N GLY A 109 -0.161 12.437 7.033 1.00 22.42 N ATOM 1589 CA GLY A 109 -1.123 11.734 7.886 1.00 43.11 C ATOM 1590 C GLY A 109 -1.489 10.335 7.408 1.00 23.14 C ATOM 1591 O GLY A 109 -2.051 10.169 6.337 1.00 25.04 O ATOM 0 H GLY A 109 0.816 12.260 7.265 1.00 22.42 H new ATOM 0 HA2 GLY A 109 -0.712 11.664 8.893 1.00 43.11 H new ATOM 0 HA3 GLY A 109 -2.033 12.330 7.953 1.00 43.11 H new ATOM 1595 N THR A 110 -1.186 9.344 8.209 1.00 33.00 N ATOM 1596 CA THR A 110 -1.504 7.969 7.882 1.00 30.35 C ATOM 1597 C THR A 110 -2.783 7.536 8.611 1.00 22.21 C ATOM 1598 O THR A 110 -2.854 7.568 9.850 1.00 52.52 O ATOM 1599 CB THR A 110 -0.316 7.048 8.255 1.00 54.13 C ATOM 1600 OG1 THR A 110 0.849 7.497 7.547 1.00 45.52 O ATOM 1601 CG2 THR A 110 -0.600 5.584 7.904 1.00 2.52 C ATOM 0 H THR A 110 -0.713 9.463 9.105 1.00 33.00 H new ATOM 0 HA THR A 110 -1.678 7.887 6.809 1.00 30.35 H new ATOM 0 HB THR A 110 -0.159 7.102 9.332 1.00 54.13 H new ATOM 0 HG1 THR A 110 1.588 7.619 8.178 1.00 45.52 H new ATOM 0 HG21 THR A 110 0.257 4.971 8.181 1.00 2.52 H new ATOM 0 HG22 THR A 110 -1.481 5.244 8.448 1.00 2.52 H new ATOM 0 HG23 THR A 110 -0.779 5.495 6.832 1.00 2.52 H new ATOM 1609 N TYR A 111 -3.791 7.157 7.851 1.00 34.11 N ATOM 1610 CA TYR A 111 -5.048 6.737 8.407 1.00 21.44 C ATOM 1611 C TYR A 111 -5.278 5.275 8.084 1.00 44.22 C ATOM 1612 O TYR A 111 -5.094 4.844 6.949 1.00 3.02 O ATOM 1613 CB TYR A 111 -6.229 7.503 7.782 1.00 60.13 C ATOM 1614 CG TYR A 111 -6.099 9.001 7.692 1.00 54.54 C ATOM 1615 CD1 TYR A 111 -6.310 9.815 8.789 1.00 20.44 C ATOM 1616 CD2 TYR A 111 -5.792 9.602 6.482 1.00 34.11 C ATOM 1617 CE1 TYR A 111 -6.218 11.189 8.681 1.00 22.41 C ATOM 1618 CE2 TYR A 111 -5.695 10.962 6.367 1.00 73.22 C ATOM 1619 CZ TYR A 111 -5.906 11.752 7.462 1.00 25.31 C ATOM 1620 OH TYR A 111 -5.820 13.113 7.332 1.00 55.45 O ATOM 0 H TYR A 111 -3.755 7.134 6.832 1.00 34.11 H new ATOM 0 HA TYR A 111 -5.001 6.924 9.480 1.00 21.44 H new ATOM 0 HB2 TYR A 111 -6.390 7.116 6.776 1.00 60.13 H new ATOM 0 HB3 TYR A 111 -7.125 7.274 8.359 1.00 60.13 H new ATOM 0 HD1 TYR A 111 -6.550 9.371 9.744 1.00 20.44 H new ATOM 0 HD2 TYR A 111 -5.626 8.984 5.612 1.00 34.11 H new ATOM 0 HE1 TYR A 111 -6.389 11.816 9.543 1.00 22.41 H new ATOM 0 HE2 TYR A 111 -5.453 11.409 5.414 1.00 73.22 H new ATOM 0 HH TYR A 111 -5.590 13.339 6.407 1.00 55.45 H new ATOM 1630 N VAL A 112 -5.693 4.539 9.041 1.00 41.14 N ATOM 1631 CA VAL A 112 -6.111 3.188 8.819 1.00 4.22 C ATOM 1632 C VAL A 112 -7.600 3.147 9.090 1.00 25.31 C ATOM 1633 O VAL A 112 -8.042 3.576 10.156 1.00 62.34 O ATOM 1634 CB VAL A 112 -5.332 2.159 9.692 1.00 71.15 C ATOM 1635 CG1 VAL A 112 -5.400 2.506 11.173 1.00 72.25 C ATOM 1636 CG2 VAL A 112 -5.851 0.747 9.436 1.00 22.30 C ATOM 0 H VAL A 112 -5.757 4.847 10.011 1.00 41.14 H new ATOM 0 HA VAL A 112 -5.891 2.894 7.793 1.00 4.22 H new ATOM 0 HB VAL A 112 -4.282 2.203 9.402 1.00 71.15 H new ATOM 0 HG11 VAL A 112 -4.844 1.764 11.746 1.00 72.25 H new ATOM 0 HG12 VAL A 112 -4.964 3.492 11.336 1.00 72.25 H new ATOM 0 HG13 VAL A 112 -6.440 2.511 11.498 1.00 72.25 H new ATOM 0 HG21 VAL A 112 -5.298 0.039 10.053 1.00 22.30 H new ATOM 0 HG22 VAL A 112 -6.910 0.697 9.688 1.00 22.30 H new ATOM 0 HG23 VAL A 112 -5.716 0.495 8.384 1.00 22.30 H new ATOM 1646 N ASN A 113 -8.381 2.746 8.084 1.00 74.43 N ATOM 1647 CA ASN A 113 -9.858 2.761 8.177 1.00 55.30 C ATOM 1648 C ASN A 113 -10.357 4.180 8.456 1.00 54.35 C ATOM 1649 O ASN A 113 -11.434 4.362 9.001 1.00 64.22 O ATOM 1650 CB ASN A 113 -10.375 1.791 9.273 1.00 44.24 C ATOM 1651 CG ASN A 113 -10.169 0.331 8.935 1.00 12.32 C ATOM 1652 OD1 ASN A 113 -9.138 -0.256 9.247 1.00 61.51 O ATOM 1653 ND2 ASN A 113 -11.147 -0.261 8.307 1.00 43.11 N ATOM 0 H ASN A 113 -8.023 2.405 7.192 1.00 74.43 H new ATOM 0 HA ASN A 113 -10.251 2.421 7.219 1.00 55.30 H new ATOM 0 HB2 ASN A 113 -9.868 2.013 10.212 1.00 44.24 H new ATOM 0 HB3 ASN A 113 -11.438 1.972 9.434 1.00 44.24 H new ATOM 0 HD21 ASN A 113 -11.070 -1.247 8.058 1.00 43.11 H new ATOM 0 HD22 ASN A 113 -11.989 0.262 8.065 1.00 43.11 H new ATOM 1660 N ARG A 114 -9.546 5.175 8.031 1.00 24.50 N ATOM 1661 CA ARG A 114 -9.798 6.619 8.232 1.00 73.12 C ATOM 1662 C ARG A 114 -9.413 7.118 9.633 1.00 11.20 C ATOM 1663 O ARG A 114 -9.639 8.280 9.961 1.00 13.50 O ATOM 1664 CB ARG A 114 -11.228 7.053 7.845 1.00 54.24 C ATOM 1665 CG ARG A 114 -11.499 7.098 6.340 1.00 62.25 C ATOM 1666 CD ARG A 114 -10.720 8.231 5.671 1.00 2.44 C ATOM 1667 NE ARG A 114 -11.059 9.545 6.245 1.00 73.35 N ATOM 1668 CZ ARG A 114 -10.362 10.688 6.080 1.00 40.34 C ATOM 1669 NH1 ARG A 114 -9.334 10.745 5.226 1.00 3.55 N ATOM 1670 NH2 ARG A 114 -10.727 11.781 6.747 1.00 62.20 N ATOM 0 H ARG A 114 -8.678 4.991 7.527 1.00 24.50 H new ATOM 0 HA ARG A 114 -9.124 7.112 7.531 1.00 73.12 H new ATOM 0 HB2 ARG A 114 -11.938 6.368 8.308 1.00 54.24 H new ATOM 0 HB3 ARG A 114 -11.419 8.041 8.264 1.00 54.24 H new ATOM 0 HG2 ARG A 114 -11.220 6.146 5.889 1.00 62.25 H new ATOM 0 HG3 ARG A 114 -12.566 7.234 6.164 1.00 62.25 H new ATOM 0 HD2 ARG A 114 -9.651 8.051 5.782 1.00 2.44 H new ATOM 0 HD3 ARG A 114 -10.933 8.236 4.602 1.00 2.44 H new ATOM 0 HE ARG A 114 -11.899 9.595 6.821 1.00 73.35 H new ATOM 0 HH11 ARG A 114 -9.069 9.918 4.691 1.00 3.55 H new ATOM 0 HH12 ARG A 114 -8.815 11.615 5.110 1.00 3.55 H new ATOM 0 HH21 ARG A 114 -11.528 11.750 7.377 1.00 62.20 H new ATOM 0 HH22 ARG A 114 -10.205 12.649 6.628 1.00 62.20 H new ATOM 1684 N GLU A 115 -8.799 6.266 10.434 1.00 44.25 N ATOM 1685 CA GLU A 115 -8.333 6.669 11.749 1.00 21.01 C ATOM 1686 C GLU A 115 -6.830 6.934 11.693 1.00 73.41 C ATOM 1687 O GLU A 115 -6.058 6.043 11.328 1.00 73.32 O ATOM 1688 CB GLU A 115 -8.582 5.577 12.779 1.00 30.22 C ATOM 1689 CG GLU A 115 -8.210 5.988 14.195 1.00 45.25 C ATOM 1690 CD GLU A 115 -8.140 4.828 15.135 1.00 42.44 C ATOM 1691 OE1 GLU A 115 -8.996 3.932 15.070 1.00 73.21 O ATOM 1692 OE2 GLU A 115 -7.185 4.759 15.938 1.00 73.03 O ATOM 0 H GLU A 115 -8.611 5.292 10.198 1.00 44.25 H new ATOM 0 HA GLU A 115 -8.879 7.567 12.039 1.00 21.01 H new ATOM 0 HB2 GLU A 115 -9.635 5.298 12.754 1.00 30.22 H new ATOM 0 HB3 GLU A 115 -8.011 4.691 12.504 1.00 30.22 H new ATOM 0 HG2 GLU A 115 -7.246 6.496 14.180 1.00 45.25 H new ATOM 0 HG3 GLU A 115 -8.943 6.706 14.565 1.00 45.25 H new ATOM 1699 N PRO A 116 -6.389 8.138 12.033 1.00 42.02 N ATOM 1700 CA PRO A 116 -4.974 8.458 12.064 1.00 60.34 C ATOM 1701 C PRO A 116 -4.310 7.906 13.329 1.00 4.41 C ATOM 1702 O PRO A 116 -4.791 8.141 14.450 1.00 75.33 O ATOM 1703 CB PRO A 116 -4.952 9.988 12.068 1.00 51.32 C ATOM 1704 CG PRO A 116 -6.254 10.398 12.679 1.00 22.22 C ATOM 1705 CD PRO A 116 -7.237 9.288 12.411 1.00 45.23 C ATOM 0 HA PRO A 116 -4.427 8.024 11.227 1.00 60.34 H new ATOM 0 HB2 PRO A 116 -4.109 10.368 12.645 1.00 51.32 H new ATOM 0 HB3 PRO A 116 -4.850 10.383 11.057 1.00 51.32 H new ATOM 0 HG2 PRO A 116 -6.142 10.563 13.751 1.00 22.22 H new ATOM 0 HG3 PRO A 116 -6.604 11.336 12.247 1.00 22.22 H new ATOM 0 HD2 PRO A 116 -7.838 9.067 13.293 1.00 45.23 H new ATOM 0 HD3 PRO A 116 -7.929 9.553 11.611 1.00 45.23 H new ATOM 1713 N ARG A 117 -3.253 7.151 13.159 1.00 24.33 N ATOM 1714 CA ARG A 117 -2.502 6.617 14.283 1.00 13.24 C ATOM 1715 C ARG A 117 -1.042 6.447 13.896 1.00 5.23 C ATOM 1716 O ARG A 117 -0.654 6.814 12.774 1.00 3.41 O ATOM 1717 CB ARG A 117 -3.096 5.295 14.805 1.00 45.51 C ATOM 1718 CG ARG A 117 -3.113 4.149 13.812 1.00 72.24 C ATOM 1719 CD ARG A 117 -3.562 2.854 14.482 1.00 71.12 C ATOM 1720 NE ARG A 117 -4.916 2.940 15.068 1.00 43.42 N ATOM 1721 CZ ARG A 117 -5.562 1.915 15.653 1.00 43.53 C ATOM 1722 NH1 ARG A 117 -4.991 0.716 15.748 1.00 53.24 N ATOM 1723 NH2 ARG A 117 -6.777 2.105 16.132 1.00 31.10 N ATOM 0 H ARG A 117 -2.885 6.887 12.245 1.00 24.33 H new ATOM 0 HA ARG A 117 -2.571 7.333 15.102 1.00 13.24 H new ATOM 0 HB2 ARG A 117 -2.529 4.984 15.682 1.00 45.51 H new ATOM 0 HB3 ARG A 117 -4.118 5.482 15.135 1.00 45.51 H new ATOM 0 HG2 ARG A 117 -3.784 4.388 12.987 1.00 72.24 H new ATOM 0 HG3 ARG A 117 -2.118 4.017 13.386 1.00 72.24 H new ATOM 0 HD2 ARG A 117 -3.541 2.047 13.749 1.00 71.12 H new ATOM 0 HD3 ARG A 117 -2.850 2.592 15.265 1.00 71.12 H new ATOM 0 HE ARG A 117 -5.394 3.840 15.026 1.00 43.42 H new ATOM 0 HH11 ARG A 117 -4.053 0.567 15.375 1.00 53.24 H new ATOM 0 HH12 ARG A 117 -5.491 -0.053 16.194 1.00 53.24 H new ATOM 0 HH21 ARG A 117 -7.217 3.022 16.057 1.00 31.10 H new ATOM 0 HH22 ARG A 117 -7.276 1.335 16.577 1.00 31.10 H new ATOM 1737 N ASN A 118 -0.240 5.910 14.799 1.00 34.13 N ATOM 1738 CA ASN A 118 1.183 5.747 14.551 1.00 42.23 C ATOM 1739 C ASN A 118 1.514 4.342 14.045 1.00 2.22 C ATOM 1740 O ASN A 118 2.087 4.185 12.969 1.00 45.42 O ATOM 1741 CB ASN A 118 1.995 6.038 15.811 1.00 10.34 C ATOM 1742 CG ASN A 118 3.498 5.951 15.582 1.00 43.02 C ATOM 1743 OD1 ASN A 118 4.241 5.521 16.457 1.00 32.03 O ATOM 1744 ND2 ASN A 118 3.961 6.423 14.452 1.00 23.51 N ATOM 0 H ASN A 118 -0.550 5.579 15.712 1.00 34.13 H new ATOM 0 HA ASN A 118 1.452 6.465 13.776 1.00 42.23 H new ATOM 0 HB2 ASN A 118 1.745 7.034 16.176 1.00 10.34 H new ATOM 0 HB3 ASN A 118 1.710 5.332 16.591 1.00 10.34 H new ATOM 0 HD21 ASN A 118 4.966 6.440 14.280 1.00 23.51 H new ATOM 0 HD22 ASN A 118 3.316 6.774 13.743 1.00 23.51 H new ATOM 1751 N ALA A 119 1.160 3.339 14.807 1.00 40.34 N ATOM 1752 CA ALA A 119 1.467 1.978 14.438 1.00 21.10 C ATOM 1753 C ALA A 119 0.192 1.206 14.251 1.00 62.24 C ATOM 1754 O ALA A 119 -0.765 1.378 15.009 1.00 43.42 O ATOM 1755 CB ALA A 119 2.338 1.321 15.503 1.00 25.24 C ATOM 0 H ALA A 119 0.658 3.438 15.689 1.00 40.34 H new ATOM 0 HA ALA A 119 2.021 1.980 13.500 1.00 21.10 H new ATOM 0 HB1 ALA A 119 2.560 0.295 15.209 1.00 25.24 H new ATOM 0 HB2 ALA A 119 3.269 1.879 15.607 1.00 25.24 H new ATOM 0 HB3 ALA A 119 1.808 1.319 16.456 1.00 25.24 H new ATOM 1761 N GLN A 120 0.164 0.382 13.254 1.00 44.35 N ATOM 1762 CA GLN A 120 -0.993 -0.402 12.962 1.00 62.43 C ATOM 1763 C GLN A 120 -0.594 -1.807 12.565 1.00 31.42 C ATOM 1764 O GLN A 120 0.411 -2.013 11.861 1.00 31.11 O ATOM 1765 CB GLN A 120 -1.796 0.257 11.823 1.00 45.13 C ATOM 1766 CG GLN A 120 -2.968 -0.578 11.307 1.00 24.24 C ATOM 1767 CD GLN A 120 -4.089 -0.753 12.318 1.00 1.22 C ATOM 1768 OE1 GLN A 120 -4.348 0.112 13.120 1.00 3.43 O ATOM 1769 NE2 GLN A 120 -4.716 -1.890 12.309 1.00 72.14 N ATOM 0 H GLN A 120 0.946 0.233 12.616 1.00 44.35 H new ATOM 0 HA GLN A 120 -1.614 -0.456 13.856 1.00 62.43 H new ATOM 0 HB2 GLN A 120 -2.176 1.217 12.172 1.00 45.13 H new ATOM 0 HB3 GLN A 120 -1.121 0.465 10.993 1.00 45.13 H new ATOM 0 HG2 GLN A 120 -3.370 -0.107 10.410 1.00 24.24 H new ATOM 0 HG3 GLN A 120 -2.600 -1.561 11.013 1.00 24.24 H new ATOM 0 HE21 GLN A 120 -4.474 -2.600 11.618 1.00 72.14 H new ATOM 0 HE22 GLN A 120 -5.451 -2.073 12.993 1.00 72.14 H new ATOM 1778 N VAL A 121 -1.359 -2.764 13.020 1.00 13.23 N ATOM 1779 CA VAL A 121 -1.221 -4.109 12.555 1.00 34.44 C ATOM 1780 C VAL A 121 -1.954 -4.141 11.229 1.00 40.14 C ATOM 1781 O VAL A 121 -3.171 -3.910 11.178 1.00 31.35 O ATOM 1782 CB VAL A 121 -1.861 -5.132 13.531 1.00 23.31 C ATOM 1783 CG1 VAL A 121 -1.678 -6.560 13.021 1.00 64.42 C ATOM 1784 CG2 VAL A 121 -1.268 -4.986 14.926 1.00 51.42 C ATOM 0 H VAL A 121 -2.090 -2.629 13.719 1.00 13.23 H new ATOM 0 HA VAL A 121 -0.170 -4.385 12.471 1.00 34.44 H new ATOM 0 HB VAL A 121 -2.929 -4.923 13.585 1.00 23.31 H new ATOM 0 HG11 VAL A 121 -2.135 -7.258 13.722 1.00 64.42 H new ATOM 0 HG12 VAL A 121 -2.154 -6.662 12.046 1.00 64.42 H new ATOM 0 HG13 VAL A 121 -0.614 -6.781 12.931 1.00 64.42 H new ATOM 0 HG21 VAL A 121 -1.730 -5.712 15.595 1.00 51.42 H new ATOM 0 HG22 VAL A 121 -0.193 -5.163 14.885 1.00 51.42 H new ATOM 0 HG23 VAL A 121 -1.456 -3.979 15.298 1.00 51.42 H new ATOM 1794 N MET A 122 -1.219 -4.351 10.172 1.00 61.52 N ATOM 1795 CA MET A 122 -1.754 -4.264 8.829 1.00 35.13 C ATOM 1796 C MET A 122 -2.823 -5.342 8.649 1.00 5.44 C ATOM 1797 O MET A 122 -2.569 -6.533 8.866 1.00 23.22 O ATOM 1798 CB MET A 122 -0.609 -4.388 7.825 1.00 73.32 C ATOM 1799 CG MET A 122 -0.904 -3.871 6.434 1.00 21.11 C ATOM 1800 SD MET A 122 0.574 -3.875 5.398 1.00 51.34 S ATOM 1801 CE MET A 122 -0.006 -2.980 3.965 1.00 52.23 C ATOM 0 H MET A 122 -0.228 -4.589 10.211 1.00 61.52 H new ATOM 0 HA MET A 122 -2.232 -3.300 8.655 1.00 35.13 H new ATOM 0 HB2 MET A 122 0.255 -3.852 8.217 1.00 73.32 H new ATOM 0 HB3 MET A 122 -0.326 -5.438 7.751 1.00 73.32 H new ATOM 0 HG2 MET A 122 -1.675 -4.487 5.972 1.00 21.11 H new ATOM 0 HG3 MET A 122 -1.302 -2.858 6.498 1.00 21.11 H new ATOM 0 HE1 MET A 122 0.561 -3.291 3.088 1.00 52.23 H new ATOM 0 HE2 MET A 122 -1.064 -3.191 3.807 1.00 52.23 H new ATOM 0 HE3 MET A 122 0.130 -1.910 4.124 1.00 52.23 H new ATOM 1811 N GLN A 123 -4.015 -4.918 8.293 1.00 54.43 N ATOM 1812 CA GLN A 123 -5.151 -5.802 8.269 1.00 4.52 C ATOM 1813 C GLN A 123 -5.518 -6.191 6.858 1.00 3.33 C ATOM 1814 O GLN A 123 -5.555 -5.357 5.953 1.00 22.33 O ATOM 1815 CB GLN A 123 -6.350 -5.143 8.973 1.00 13.51 C ATOM 1816 CG GLN A 123 -7.563 -6.056 9.114 1.00 70.24 C ATOM 1817 CD GLN A 123 -7.259 -7.288 9.937 1.00 42.44 C ATOM 1818 OE1 GLN A 123 -6.427 -7.252 10.841 1.00 64.23 O ATOM 1819 NE2 GLN A 123 -7.892 -8.382 9.622 1.00 2.01 N ATOM 0 H GLN A 123 -4.220 -3.958 8.015 1.00 54.43 H new ATOM 0 HA GLN A 123 -4.880 -6.712 8.804 1.00 4.52 H new ATOM 0 HB2 GLN A 123 -6.040 -4.812 9.964 1.00 13.51 H new ATOM 0 HB3 GLN A 123 -6.641 -4.252 8.416 1.00 13.51 H new ATOM 0 HG2 GLN A 123 -8.379 -5.503 9.579 1.00 70.24 H new ATOM 0 HG3 GLN A 123 -7.905 -6.358 8.124 1.00 70.24 H new ATOM 0 HE21 GLN A 123 -8.576 -8.375 8.866 1.00 2.01 H new ATOM 0 HE22 GLN A 123 -7.703 -9.245 10.132 1.00 2.01 H new ATOM 1828 N THR A 124 -5.803 -7.447 6.694 1.00 74.10 N ATOM 1829 CA THR A 124 -6.158 -8.007 5.443 1.00 44.12 C ATOM 1830 C THR A 124 -7.635 -7.713 5.102 1.00 51.31 C ATOM 1831 O THR A 124 -8.560 -8.057 5.873 1.00 23.42 O ATOM 1832 CB THR A 124 -5.863 -9.523 5.492 1.00 61.43 C ATOM 1833 OG1 THR A 124 -6.369 -10.073 6.734 1.00 20.51 O ATOM 1834 CG2 THR A 124 -4.366 -9.762 5.446 1.00 34.55 C ATOM 0 H THR A 124 -5.792 -8.124 7.456 1.00 74.10 H new ATOM 0 HA THR A 124 -5.568 -7.554 4.647 1.00 44.12 H new ATOM 0 HB THR A 124 -6.343 -10.000 4.638 1.00 61.43 H new ATOM 0 HG1 THR A 124 -7.241 -9.675 6.937 1.00 20.51 H new ATOM 0 HG21 THR A 124 -4.167 -10.833 5.481 1.00 34.55 H new ATOM 0 HG22 THR A 124 -3.960 -9.348 4.523 1.00 34.55 H new ATOM 0 HG23 THR A 124 -3.894 -9.277 6.300 1.00 34.55 H new ATOM 1842 N GLY A 125 -7.840 -7.002 4.008 1.00 62.23 N ATOM 1843 CA GLY A 125 -9.169 -6.701 3.542 1.00 51.31 C ATOM 1844 C GLY A 125 -9.539 -5.257 3.768 1.00 11.04 C ATOM 1845 O GLY A 125 -10.509 -4.762 3.191 1.00 30.14 O ATOM 0 H GLY A 125 -7.093 -6.623 3.426 1.00 62.23 H new ATOM 0 HA2 GLY A 125 -9.240 -6.930 2.479 1.00 51.31 H new ATOM 0 HA3 GLY A 125 -9.886 -7.342 4.055 1.00 51.31 H new ATOM 1849 N ASP A 126 -8.752 -4.571 4.573 1.00 30.40 N ATOM 1850 CA ASP A 126 -9.049 -3.195 4.941 1.00 1.53 C ATOM 1851 C ASP A 126 -8.272 -2.177 4.145 1.00 74.53 C ATOM 1852 O ASP A 126 -7.345 -2.517 3.379 1.00 73.24 O ATOM 1853 CB ASP A 126 -8.894 -2.935 6.443 1.00 61.11 C ATOM 1854 CG ASP A 126 -10.097 -3.375 7.246 1.00 53.13 C ATOM 1855 OD1 ASP A 126 -11.161 -2.715 7.158 1.00 2.52 O ATOM 1856 OD2 ASP A 126 -10.009 -4.367 7.989 1.00 5.23 O ATOM 0 H ASP A 126 -7.898 -4.943 4.988 1.00 30.40 H new ATOM 0 HA ASP A 126 -10.101 -3.066 4.685 1.00 1.53 H new ATOM 0 HB2 ASP A 126 -8.010 -3.458 6.807 1.00 61.11 H new ATOM 0 HB3 ASP A 126 -8.725 -1.871 6.606 1.00 61.11 H new ATOM 1861 N GLU A 127 -8.630 -0.927 4.358 1.00 22.03 N ATOM 1862 CA GLU A 127 -8.094 0.180 3.619 1.00 73.13 C ATOM 1863 C GLU A 127 -7.161 1.030 4.487 1.00 42.14 C ATOM 1864 O GLU A 127 -7.418 1.278 5.685 1.00 41.43 O ATOM 1865 CB GLU A 127 -9.248 1.041 3.081 1.00 12.42 C ATOM 1866 CG GLU A 127 -10.085 1.709 4.175 1.00 21.04 C ATOM 1867 CD GLU A 127 -11.291 2.417 3.646 1.00 13.42 C ATOM 1868 OE1 GLU A 127 -11.177 3.184 2.686 1.00 31.33 O ATOM 1869 OE2 GLU A 127 -12.391 2.217 4.191 1.00 15.44 O ATOM 0 H GLU A 127 -9.314 -0.655 5.064 1.00 22.03 H new ATOM 0 HA GLU A 127 -7.508 -0.211 2.787 1.00 73.13 H new ATOM 0 HB2 GLU A 127 -8.839 1.812 2.428 1.00 12.42 H new ATOM 0 HB3 GLU A 127 -9.899 0.417 2.469 1.00 12.42 H new ATOM 0 HG2 GLU A 127 -10.402 0.953 4.893 1.00 21.04 H new ATOM 0 HG3 GLU A 127 -9.462 2.421 4.716 1.00 21.04 H new ATOM 1876 N ILE A 128 -6.101 1.466 3.887 1.00 10.24 N ATOM 1877 CA ILE A 128 -5.145 2.323 4.511 1.00 55.51 C ATOM 1878 C ILE A 128 -5.039 3.561 3.647 1.00 20.23 C ATOM 1879 O ILE A 128 -4.709 3.478 2.464 1.00 15.41 O ATOM 1880 CB ILE A 128 -3.746 1.643 4.630 1.00 2.14 C ATOM 1881 CG1 ILE A 128 -3.854 0.338 5.444 1.00 74.21 C ATOM 1882 CG2 ILE A 128 -2.734 2.597 5.281 1.00 54.01 C ATOM 1883 CD1 ILE A 128 -2.563 -0.446 5.545 1.00 71.41 C ATOM 0 H ILE A 128 -5.870 1.229 2.922 1.00 10.24 H new ATOM 0 HA ILE A 128 -5.468 2.560 5.525 1.00 55.51 H new ATOM 0 HB ILE A 128 -3.394 1.402 3.627 1.00 2.14 H new ATOM 0 HG12 ILE A 128 -4.198 0.579 6.450 1.00 74.21 H new ATOM 0 HG13 ILE A 128 -4.615 -0.297 4.991 1.00 74.21 H new ATOM 0 HG21 ILE A 128 -1.765 2.104 5.355 1.00 54.01 H new ATOM 0 HG22 ILE A 128 -2.638 3.496 4.673 1.00 54.01 H new ATOM 0 HG23 ILE A 128 -3.080 2.869 6.278 1.00 54.01 H new ATOM 0 HD11 ILE A 128 -2.730 -1.348 6.134 1.00 71.41 H new ATOM 0 HD12 ILE A 128 -2.226 -0.722 4.546 1.00 71.41 H new ATOM 0 HD13 ILE A 128 -1.802 0.167 6.028 1.00 71.41 H new ATOM 1895 N GLN A 129 -5.351 4.686 4.199 1.00 4.23 N ATOM 1896 CA GLN A 129 -5.296 5.891 3.445 1.00 41.45 C ATOM 1897 C GLN A 129 -4.257 6.784 4.022 1.00 72.13 C ATOM 1898 O GLN A 129 -4.305 7.133 5.185 1.00 31.52 O ATOM 1899 CB GLN A 129 -6.633 6.627 3.406 1.00 52.42 C ATOM 1900 CG GLN A 129 -6.584 7.863 2.510 1.00 64.50 C ATOM 1901 CD GLN A 129 -7.857 8.655 2.497 1.00 13.31 C ATOM 1902 OE1 GLN A 129 -8.586 8.704 3.477 1.00 63.52 O ATOM 1903 NE2 GLN A 129 -8.138 9.279 1.387 1.00 0.43 N ATOM 0 H GLN A 129 -5.646 4.795 5.169 1.00 4.23 H new ATOM 0 HA GLN A 129 -5.048 5.620 2.419 1.00 41.45 H new ATOM 0 HB2 GLN A 129 -7.408 5.950 3.047 1.00 52.42 H new ATOM 0 HB3 GLN A 129 -6.912 6.924 4.417 1.00 52.42 H new ATOM 0 HG2 GLN A 129 -5.770 8.508 2.841 1.00 64.50 H new ATOM 0 HG3 GLN A 129 -6.350 7.552 1.492 1.00 64.50 H new ATOM 0 HE21 GLN A 129 -7.504 9.214 0.591 1.00 0.43 H new ATOM 0 HE22 GLN A 129 -8.992 9.832 1.315 1.00 0.43 H new ATOM 1912 N ILE A 130 -3.331 7.135 3.238 1.00 2.32 N ATOM 1913 CA ILE A 130 -2.333 8.036 3.646 1.00 52.42 C ATOM 1914 C ILE A 130 -2.632 9.391 3.026 1.00 44.32 C ATOM 1915 O ILE A 130 -2.427 9.604 1.850 1.00 42.51 O ATOM 1916 CB ILE A 130 -0.893 7.502 3.347 1.00 5.15 C ATOM 1917 CG1 ILE A 130 -0.719 7.086 1.876 1.00 71.01 C ATOM 1918 CG2 ILE A 130 -0.581 6.330 4.268 1.00 14.01 C ATOM 1919 CD1 ILE A 130 0.661 6.549 1.536 1.00 74.34 C ATOM 0 H ILE A 130 -3.237 6.803 2.278 1.00 2.32 H new ATOM 0 HA ILE A 130 -2.349 8.147 4.730 1.00 52.42 H new ATOM 0 HB ILE A 130 -0.192 8.315 3.534 1.00 5.15 H new ATOM 0 HG12 ILE A 130 -1.461 6.325 1.636 1.00 71.01 H new ATOM 0 HG13 ILE A 130 -0.928 7.947 1.240 1.00 71.01 H new ATOM 0 HG21 ILE A 130 0.422 5.959 4.058 1.00 14.01 H new ATOM 0 HG22 ILE A 130 -0.637 6.658 5.306 1.00 14.01 H new ATOM 0 HG23 ILE A 130 -1.305 5.532 4.100 1.00 14.01 H new ATOM 0 HD11 ILE A 130 0.697 6.280 0.480 1.00 74.34 H new ATOM 0 HD12 ILE A 130 1.410 7.314 1.741 1.00 74.34 H new ATOM 0 HD13 ILE A 130 0.868 5.667 2.142 1.00 74.34 H new ATOM 1931 N GLY A 131 -3.243 10.251 3.819 1.00 1.24 N ATOM 1932 CA GLY A 131 -3.637 11.573 3.380 1.00 24.23 C ATOM 1933 C GLY A 131 -4.662 11.563 2.262 1.00 75.30 C ATOM 1934 O GLY A 131 -5.871 11.460 2.498 1.00 53.25 O ATOM 0 H GLY A 131 -3.480 10.049 4.790 1.00 1.24 H new ATOM 0 HA2 GLY A 131 -4.044 12.122 4.229 1.00 24.23 H new ATOM 0 HA3 GLY A 131 -2.752 12.114 3.045 1.00 24.23 H new ATOM 1938 N LYS A 132 -4.170 11.657 1.056 1.00 44.21 N ATOM 1939 CA LYS A 132 -4.990 11.709 -0.133 1.00 74.15 C ATOM 1940 C LYS A 132 -5.001 10.339 -0.819 1.00 44.14 C ATOM 1941 O LYS A 132 -5.946 9.989 -1.539 1.00 44.14 O ATOM 1942 CB LYS A 132 -4.406 12.771 -1.097 1.00 12.44 C ATOM 1943 CG LYS A 132 -5.200 12.982 -2.378 1.00 1.22 C ATOM 1944 CD LYS A 132 -4.548 13.976 -3.363 1.00 70.52 C ATOM 1945 CE LYS A 132 -4.405 15.412 -2.818 1.00 21.15 C ATOM 1946 NZ LYS A 132 -3.182 15.628 -1.998 1.00 62.52 N ATOM 0 H LYS A 132 -3.169 11.701 0.865 1.00 44.21 H new ATOM 0 HA LYS A 132 -6.012 11.975 0.137 1.00 74.15 H new ATOM 0 HB2 LYS A 132 -4.338 13.722 -0.568 1.00 12.44 H new ATOM 0 HB3 LYS A 132 -3.389 12.480 -1.361 1.00 12.44 H new ATOM 0 HG2 LYS A 132 -5.327 12.021 -2.877 1.00 1.22 H new ATOM 0 HG3 LYS A 132 -6.196 13.342 -2.121 1.00 1.22 H new ATOM 0 HD2 LYS A 132 -3.560 13.604 -3.635 1.00 70.52 H new ATOM 0 HD3 LYS A 132 -5.141 14.005 -4.277 1.00 70.52 H new ATOM 0 HE2 LYS A 132 -4.396 16.109 -3.656 1.00 21.15 H new ATOM 0 HE3 LYS A 132 -5.281 15.650 -2.215 1.00 21.15 H new ATOM 0 HZ1 LYS A 132 -2.931 16.637 -2.008 1.00 62.52 H new ATOM 0 HZ2 LYS A 132 -3.362 15.325 -1.019 1.00 62.52 H new ATOM 0 HZ3 LYS A 132 -2.397 15.073 -2.393 1.00 62.52 H new ATOM 1960 N PHE A 133 -3.990 9.555 -0.535 1.00 70.03 N ATOM 1961 CA PHE A 133 -3.749 8.317 -1.240 1.00 60.01 C ATOM 1962 C PHE A 133 -4.423 7.169 -0.518 1.00 14.24 C ATOM 1963 O PHE A 133 -4.022 6.811 0.587 1.00 20.32 O ATOM 1964 CB PHE A 133 -2.242 8.041 -1.302 1.00 11.13 C ATOM 1965 CG PHE A 133 -1.390 9.259 -1.574 1.00 71.33 C ATOM 1966 CD1 PHE A 133 -1.091 9.642 -2.845 1.00 13.21 C ATOM 1967 CD2 PHE A 133 -0.888 10.011 -0.526 1.00 15.14 C ATOM 1968 CE1 PHE A 133 -0.303 10.744 -3.072 1.00 5.53 C ATOM 1969 CE2 PHE A 133 -0.114 11.106 -0.745 1.00 43.44 C ATOM 1970 CZ PHE A 133 0.179 11.472 -2.016 1.00 21.10 C ATOM 0 H PHE A 133 -3.307 9.757 0.195 1.00 70.03 H new ATOM 0 HA PHE A 133 -4.154 8.406 -2.248 1.00 60.01 H new ATOM 0 HB2 PHE A 133 -1.928 7.598 -0.357 1.00 11.13 H new ATOM 0 HB3 PHE A 133 -2.053 7.301 -2.080 1.00 11.13 H new ATOM 0 HD1 PHE A 133 -1.476 9.076 -3.681 1.00 13.21 H new ATOM 0 HD2 PHE A 133 -1.117 9.721 0.489 1.00 15.14 H new ATOM 0 HE1 PHE A 133 -0.063 11.037 -4.084 1.00 5.53 H new ATOM 0 HE2 PHE A 133 0.265 11.680 0.088 1.00 43.44 H new ATOM 0 HZ PHE A 133 0.795 12.341 -2.198 1.00 21.10 H new ATOM 1980 N ARG A 134 -5.431 6.596 -1.118 1.00 23.14 N ATOM 1981 CA ARG A 134 -6.120 5.496 -0.495 1.00 70.22 C ATOM 1982 C ARG A 134 -5.721 4.191 -1.161 1.00 74.40 C ATOM 1983 O ARG A 134 -5.792 4.049 -2.402 1.00 62.11 O ATOM 1984 CB ARG A 134 -7.638 5.694 -0.490 1.00 54.33 C ATOM 1985 CG ARG A 134 -8.363 4.702 0.413 1.00 72.30 C ATOM 1986 CD ARG A 134 -9.854 4.983 0.502 1.00 62.51 C ATOM 1987 NE ARG A 134 -10.159 6.352 0.978 1.00 4.33 N ATOM 1988 CZ ARG A 134 -11.148 6.673 1.842 1.00 64.04 C ATOM 1989 NH1 ARG A 134 -11.790 5.726 2.515 1.00 21.43 N ATOM 1990 NH2 ARG A 134 -11.437 7.949 2.078 1.00 12.24 N ATOM 0 H ARG A 134 -5.793 6.869 -2.032 1.00 23.14 H new ATOM 0 HA ARG A 134 -5.818 5.455 0.552 1.00 70.22 H new ATOM 0 HB2 ARG A 134 -7.866 6.709 -0.163 1.00 54.33 H new ATOM 0 HB3 ARG A 134 -8.016 5.594 -1.508 1.00 54.33 H new ATOM 0 HG2 ARG A 134 -8.208 3.691 0.036 1.00 72.30 H new ATOM 0 HG3 ARG A 134 -7.929 4.739 1.412 1.00 72.30 H new ATOM 0 HD2 ARG A 134 -10.305 4.837 -0.480 1.00 62.51 H new ATOM 0 HD3 ARG A 134 -10.315 4.260 1.175 1.00 62.51 H new ATOM 0 HE ARG A 134 -9.577 7.112 0.626 1.00 4.33 H new ATOM 0 HH11 ARG A 134 -11.538 4.746 2.382 1.00 21.43 H new ATOM 0 HH12 ARG A 134 -12.535 5.978 3.165 1.00 21.43 H new ATOM 0 HH21 ARG A 134 -10.912 8.686 1.607 1.00 12.24 H new ATOM 0 HH22 ARG A 134 -12.183 8.191 2.730 1.00 12.24 H new ATOM 2004 N LEU A 135 -5.259 3.287 -0.346 1.00 44.43 N ATOM 2005 CA LEU A 135 -4.766 2.004 -0.748 1.00 15.31 C ATOM 2006 C LEU A 135 -5.542 0.923 0.010 1.00 45.30 C ATOM 2007 O LEU A 135 -5.853 1.097 1.181 1.00 63.41 O ATOM 2008 CB LEU A 135 -3.238 2.000 -0.417 1.00 54.24 C ATOM 2009 CG LEU A 135 -2.395 0.717 -0.599 1.00 34.42 C ATOM 2010 CD1 LEU A 135 -0.924 1.104 -0.617 1.00 52.25 C ATOM 2011 CD2 LEU A 135 -2.615 -0.254 0.564 1.00 51.14 C ATOM 0 H LEU A 135 -5.214 3.432 0.663 1.00 44.43 H new ATOM 0 HA LEU A 135 -4.902 1.802 -1.811 1.00 15.31 H new ATOM 0 HB2 LEU A 135 -2.776 2.777 -1.026 1.00 54.24 H new ATOM 0 HB3 LEU A 135 -3.134 2.307 0.624 1.00 54.24 H new ATOM 0 HG LEU A 135 -2.694 0.233 -1.529 1.00 34.42 H new ATOM 0 HD11 LEU A 135 -0.314 0.210 -0.745 1.00 52.25 H new ATOM 0 HD12 LEU A 135 -0.739 1.791 -1.443 1.00 52.25 H new ATOM 0 HD13 LEU A 135 -0.664 1.589 0.324 1.00 52.25 H new ATOM 0 HD21 LEU A 135 -2.010 -1.148 0.411 1.00 51.14 H new ATOM 0 HD22 LEU A 135 -2.324 0.226 1.498 1.00 51.14 H new ATOM 0 HD23 LEU A 135 -3.668 -0.532 0.612 1.00 51.14 H new ATOM 2023 N VAL A 136 -5.874 -0.156 -0.643 1.00 22.13 N ATOM 2024 CA VAL A 136 -6.532 -1.262 0.034 1.00 25.33 C ATOM 2025 C VAL A 136 -5.618 -2.492 -0.013 1.00 22.41 C ATOM 2026 O VAL A 136 -4.981 -2.770 -1.047 1.00 62.42 O ATOM 2027 CB VAL A 136 -7.978 -1.549 -0.515 1.00 40.32 C ATOM 2028 CG1 VAL A 136 -7.979 -1.906 -1.982 1.00 12.30 C ATOM 2029 CG2 VAL A 136 -8.690 -2.624 0.301 1.00 23.10 C ATOM 0 H VAL A 136 -5.705 -0.302 -1.638 1.00 22.13 H new ATOM 0 HA VAL A 136 -6.692 -0.986 1.076 1.00 25.33 H new ATOM 0 HB VAL A 136 -8.533 -0.617 -0.407 1.00 40.32 H new ATOM 0 HG11 VAL A 136 -9.001 -2.094 -2.310 1.00 12.30 H new ATOM 0 HG12 VAL A 136 -7.559 -1.081 -2.558 1.00 12.30 H new ATOM 0 HG13 VAL A 136 -7.377 -2.801 -2.139 1.00 12.30 H new ATOM 0 HG21 VAL A 136 -9.685 -2.793 -0.110 1.00 23.10 H new ATOM 0 HG22 VAL A 136 -8.118 -3.551 0.259 1.00 23.10 H new ATOM 0 HG23 VAL A 136 -8.776 -2.297 1.337 1.00 23.10 H new ATOM 2039 N PHE A 137 -5.516 -3.185 1.102 1.00 11.44 N ATOM 2040 CA PHE A 137 -4.581 -4.286 1.252 1.00 53.40 C ATOM 2041 C PHE A 137 -5.294 -5.632 1.284 1.00 63.41 C ATOM 2042 O PHE A 137 -6.155 -5.869 2.138 1.00 73.02 O ATOM 2043 CB PHE A 137 -3.770 -4.068 2.540 1.00 52.14 C ATOM 2044 CG PHE A 137 -2.800 -5.163 2.892 1.00 43.30 C ATOM 2045 CD1 PHE A 137 -1.649 -5.356 2.149 1.00 33.22 C ATOM 2046 CD2 PHE A 137 -3.033 -5.987 3.982 1.00 23.23 C ATOM 2047 CE1 PHE A 137 -0.752 -6.347 2.485 1.00 53.24 C ATOM 2048 CE2 PHE A 137 -2.140 -6.980 4.324 1.00 43.33 C ATOM 2049 CZ PHE A 137 -0.998 -7.159 3.577 1.00 74.31 C ATOM 0 H PHE A 137 -6.079 -3.002 1.933 1.00 11.44 H new ATOM 0 HA PHE A 137 -3.914 -4.305 0.390 1.00 53.40 H new ATOM 0 HB2 PHE A 137 -3.217 -3.134 2.446 1.00 52.14 H new ATOM 0 HB3 PHE A 137 -4.466 -3.944 3.369 1.00 52.14 H new ATOM 0 HD1 PHE A 137 -1.451 -4.723 1.296 1.00 33.22 H new ATOM 0 HD2 PHE A 137 -3.927 -5.849 4.572 1.00 23.23 H new ATOM 0 HE1 PHE A 137 0.142 -6.489 1.896 1.00 53.24 H new ATOM 0 HE2 PHE A 137 -2.336 -7.615 5.175 1.00 43.33 H new ATOM 0 HZ PHE A 137 -0.294 -7.933 3.844 1.00 74.31 H new ATOM 2059 N LEU A 138 -4.933 -6.507 0.365 1.00 12.21 N ATOM 2060 CA LEU A 138 -5.507 -7.835 0.295 1.00 73.41 C ATOM 2061 C LEU A 138 -4.398 -8.862 0.411 1.00 55.45 C ATOM 2062 O LEU A 138 -3.265 -8.609 0.004 1.00 50.21 O ATOM 2063 CB LEU A 138 -6.269 -8.081 -1.033 1.00 32.25 C ATOM 2064 CG LEU A 138 -7.485 -7.186 -1.365 1.00 52.13 C ATOM 2065 CD1 LEU A 138 -8.448 -7.089 -0.199 1.00 75.21 C ATOM 2066 CD2 LEU A 138 -7.075 -5.811 -1.885 1.00 0.04 C ATOM 0 H LEU A 138 -4.234 -6.316 -0.353 1.00 12.21 H new ATOM 0 HA LEU A 138 -6.220 -7.925 1.114 1.00 73.41 H new ATOM 0 HB2 LEU A 138 -5.553 -7.982 -1.849 1.00 32.25 H new ATOM 0 HB3 LEU A 138 -6.610 -9.116 -1.032 1.00 32.25 H new ATOM 0 HG LEU A 138 -8.017 -7.675 -2.181 1.00 52.13 H new ATOM 0 HD11 LEU A 138 -9.288 -6.451 -0.473 1.00 75.21 H new ATOM 0 HD12 LEU A 138 -8.815 -8.084 0.054 1.00 75.21 H new ATOM 0 HD13 LEU A 138 -7.934 -6.662 0.662 1.00 75.21 H new ATOM 0 HD21 LEU A 138 -7.967 -5.223 -2.103 1.00 0.04 H new ATOM 0 HD22 LEU A 138 -6.479 -5.299 -1.130 1.00 0.04 H new ATOM 0 HD23 LEU A 138 -6.486 -5.927 -2.795 1.00 0.04 H new ATOM 2078 N ALA A 139 -4.703 -9.999 0.947 1.00 75.55 N ATOM 2079 CA ALA A 139 -3.719 -11.047 1.073 1.00 41.54 C ATOM 2080 C ALA A 139 -4.271 -12.326 0.524 1.00 71.43 C ATOM 2081 O ALA A 139 -5.476 -12.553 0.571 1.00 24.33 O ATOM 2082 CB ALA A 139 -3.290 -11.234 2.514 1.00 13.42 C ATOM 0 H ALA A 139 -5.627 -10.235 1.309 1.00 75.55 H new ATOM 0 HA ALA A 139 -2.837 -10.758 0.502 1.00 41.54 H new ATOM 0 HB1 ALA A 139 -2.549 -12.031 2.572 1.00 13.42 H new ATOM 0 HB2 ALA A 139 -2.856 -10.307 2.888 1.00 13.42 H new ATOM 0 HB3 ALA A 139 -4.156 -11.499 3.120 1.00 13.42 H new ATOM 2088 N GLY A 140 -3.408 -13.142 -0.013 1.00 21.23 N ATOM 2089 CA GLY A 140 -3.848 -14.399 -0.557 1.00 41.42 C ATOM 2090 C GLY A 140 -2.700 -15.321 -0.898 1.00 0.12 C ATOM 2091 O GLY A 140 -2.509 -16.336 -0.217 1.00 3.43 O ATOM 0 H GLY A 140 -2.406 -12.964 -0.086 1.00 21.23 H new ATOM 0 HA2 GLY A 140 -4.503 -14.892 0.161 1.00 41.42 H new ATOM 0 HA3 GLY A 140 -4.440 -14.215 -1.454 1.00 41.42 H new ATOM 2095 N PRO A 141 -1.917 -14.995 -1.957 1.00 61.44 N ATOM 2096 CA PRO A 141 -0.813 -15.831 -2.432 1.00 1.30 C ATOM 2097 C PRO A 141 0.248 -16.174 -1.421 1.00 55.43 C ATOM 2098 O PRO A 141 1.108 -15.363 -1.058 1.00 55.55 O ATOM 2099 CB PRO A 141 -0.194 -15.078 -3.564 1.00 0.34 C ATOM 2100 CG PRO A 141 -0.746 -13.695 -3.486 1.00 35.22 C ATOM 2101 CD PRO A 141 -2.074 -13.806 -2.808 1.00 12.21 C ATOM 0 HA PRO A 141 -1.231 -16.800 -2.705 1.00 1.30 H new ATOM 0 HB2 PRO A 141 0.893 -15.070 -3.480 1.00 0.34 H new ATOM 0 HB3 PRO A 141 -0.436 -15.542 -4.520 1.00 0.34 H new ATOM 0 HG2 PRO A 141 -0.078 -13.042 -2.925 1.00 35.22 H new ATOM 0 HG3 PRO A 141 -0.853 -13.263 -4.481 1.00 35.22 H new ATOM 0 HD2 PRO A 141 -2.302 -12.917 -2.220 1.00 12.21 H new ATOM 0 HD3 PRO A 141 -2.884 -13.929 -3.527 1.00 12.21 H new