USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 606 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 79 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 81 SER OG : rot 180:sc= -0.0119 USER MOD Single : A 59 MET CE :methyl 155:sc= 0 (180deg=-0.214) USER MOD Single : A 60 THR OG1 : rot 130:sc= 0.181 USER MOD Single : A 63 MET CE :methyl -155:sc= -0.317 (180deg=-1.17) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 169:sc= -0.0243 (180deg=-0.149) USER MOD Single : A 68 GLN : amide:sc= -0.763 X(o=-0.76,f=-1.1) USER MOD Single : A 70 SER OG : rot -81:sc= 0.852 USER MOD Single : A 71 LYS NZ :NH3+ -172:sc=-0.00287 (180deg=-0.0835) USER MOD Single : A 72 ASN : amide:sc= -0.0455 K(o=-0.046,f=-1.7!) USER MOD Single : A 74 SER OG : rot 86:sc= -2.45! USER MOD Single : A 75 LYS NZ :NH3+ 179:sc= 0 (180deg=-3.16e-05) USER MOD Single : A 76 MET CE :methyl -167:sc= 0 (180deg=-0.266) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 83 SER OG : rot 63:sc= 0.79 USER MOD Single : A 84 THR OG1 : rot 88:sc= 0.391 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.462 USER MOD Single : A 102 THR OG1 : rot -96:sc= 0.764 USER MOD Single : A 103 MET CE :methyl -108:sc= 0 (180deg=-2.24!) USER MOD Single : A 108 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.111) USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.821 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 MET CE :methyl 135:sc= -0.119 (180deg=-0.726) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 120 HIS : no HD1:sc= -0.0886 X(o=-0.089,f=0) USER MOD Single : A 133 SER OG : rot 180:sc= -0.326 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 16 N MET A 59 9.952 5.040 2.753 1.00 0.25 N ATOM 17 CA MET A 59 8.822 4.373 2.098 1.00 0.17 C ATOM 18 C MET A 59 8.046 5.258 1.113 1.00 0.20 C ATOM 19 O MET A 59 7.725 6.404 1.401 1.00 0.29 O ATOM 20 CB MET A 59 7.868 3.842 3.169 1.00 0.16 C ATOM 21 CG MET A 59 7.722 4.772 4.378 1.00 0.25 C ATOM 22 SD MET A 59 6.615 4.114 5.643 1.00 0.75 S ATOM 23 CE MET A 59 6.763 5.369 6.911 1.00 0.59 C ATOM 0 HA MET A 59 9.246 3.565 1.502 1.00 0.17 H new ATOM 0 HB2 MET A 59 6.886 3.684 2.723 1.00 0.16 H new ATOM 0 HB3 MET A 59 8.224 2.870 3.510 1.00 0.16 H new ATOM 0 HG2 MET A 59 8.704 4.945 4.817 1.00 0.25 H new ATOM 0 HG3 MET A 59 7.348 5.739 4.043 1.00 0.25 H new ATOM 0 HE1 MET A 59 5.865 5.370 7.529 1.00 0.59 H new ATOM 0 HE2 MET A 59 7.632 5.156 7.534 1.00 0.59 H new ATOM 0 HE3 MET A 59 6.882 6.346 6.443 1.00 0.59 H new ATOM 33 N THR A 60 7.745 4.679 -0.050 1.00 0.19 N ATOM 34 CA THR A 60 6.931 5.310 -1.091 1.00 0.22 C ATOM 35 C THR A 60 5.453 5.087 -0.836 1.00 0.18 C ATOM 36 O THR A 60 5.002 3.957 -0.728 1.00 0.17 O ATOM 37 CB THR A 60 7.254 4.718 -2.479 1.00 0.29 C ATOM 38 OG1 THR A 60 8.634 4.915 -2.809 1.00 0.37 O ATOM 39 CG2 THR A 60 6.359 5.305 -3.564 1.00 0.34 C ATOM 0 H THR A 60 8.065 3.743 -0.300 1.00 0.19 H new ATOM 0 HA THR A 60 7.163 6.375 -1.068 1.00 0.22 H new ATOM 0 HB THR A 60 7.057 3.647 -2.428 1.00 0.29 H new ATOM 0 HG1 THR A 60 9.025 4.065 -3.100 1.00 0.37 H new ATOM 0 HG21 THR A 60 6.617 4.863 -4.527 1.00 0.34 H new ATOM 0 HG22 THR A 60 5.316 5.087 -3.333 1.00 0.34 H new ATOM 0 HG23 THR A 60 6.503 6.384 -3.610 1.00 0.34 H new ATOM 47 N ARG A 61 4.702 6.158 -0.790 1.00 0.20 N ATOM 48 CA ARG A 61 3.301 6.067 -0.451 1.00 0.18 C ATOM 49 C ARG A 61 2.420 6.033 -1.701 1.00 0.17 C ATOM 50 O ARG A 61 2.471 6.940 -2.538 1.00 0.18 O ATOM 51 CB ARG A 61 2.935 7.242 0.441 1.00 0.22 C ATOM 52 CG ARG A 61 1.684 7.017 1.254 1.00 0.33 C ATOM 53 CD ARG A 61 1.317 8.269 2.022 1.00 0.42 C ATOM 54 NE ARG A 61 2.260 8.578 3.089 1.00 0.84 N ATOM 55 CZ ARG A 61 2.525 9.815 3.502 1.00 1.13 C ATOM 56 NH1 ARG A 61 1.880 10.849 2.970 1.00 1.32 N ATOM 57 NH2 ARG A 61 3.419 10.017 4.458 1.00 1.91 N ATOM 0 H ARG A 61 5.035 7.103 -0.982 1.00 0.20 H new ATOM 0 HA ARG A 61 3.125 5.133 0.083 1.00 0.18 H new ATOM 0 HB2 ARG A 61 3.765 7.447 1.117 1.00 0.22 H new ATOM 0 HB3 ARG A 61 2.801 8.129 -0.178 1.00 0.22 H new ATOM 0 HG2 ARG A 61 0.862 6.733 0.596 1.00 0.33 H new ATOM 0 HG3 ARG A 61 1.838 6.190 1.947 1.00 0.33 H new ATOM 0 HD2 ARG A 61 1.269 9.111 1.332 1.00 0.42 H new ATOM 0 HD3 ARG A 61 0.321 8.149 2.448 1.00 0.42 H new ATOM 0 HE ARG A 61 2.743 7.804 3.544 1.00 0.84 H new ATOM 0 HH11 ARG A 61 1.180 10.695 2.244 1.00 1.32 H new ATOM 0 HH12 ARG A 61 2.085 11.796 3.288 1.00 1.32 H new ATOM 0 HH21 ARG A 61 3.905 9.224 4.878 1.00 1.91 H new ATOM 0 HH22 ARG A 61 3.622 10.965 4.774 1.00 1.91 H new ATOM 71 N LEU A 62 1.646 4.958 -1.834 1.00 0.16 N ATOM 72 CA LEU A 62 0.652 4.836 -2.896 1.00 0.15 C ATOM 73 C LEU A 62 -0.739 4.938 -2.299 1.00 0.12 C ATOM 74 O LEU A 62 -1.119 4.119 -1.456 1.00 0.20 O ATOM 75 CB LEU A 62 0.764 3.504 -3.676 1.00 0.23 C ATOM 76 CG LEU A 62 1.838 2.515 -3.223 1.00 0.20 C ATOM 77 CD1 LEU A 62 1.619 1.187 -3.914 1.00 0.28 C ATOM 78 CD2 LEU A 62 3.237 3.035 -3.528 1.00 0.32 C ATOM 0 H LEU A 62 1.690 4.151 -1.212 1.00 0.16 H new ATOM 0 HA LEU A 62 0.839 5.646 -3.601 1.00 0.15 H new ATOM 0 HB2 LEU A 62 -0.201 3.001 -3.625 1.00 0.23 H new ATOM 0 HB3 LEU A 62 0.944 3.741 -4.725 1.00 0.23 H new ATOM 0 HG LEU A 62 1.758 2.390 -2.143 1.00 0.20 H new ATOM 0 HD11 LEU A 62 2.383 0.479 -3.593 1.00 0.28 H new ATOM 0 HD12 LEU A 62 0.634 0.800 -3.654 1.00 0.28 H new ATOM 0 HD13 LEU A 62 1.682 1.324 -4.994 1.00 0.28 H new ATOM 0 HD21 LEU A 62 3.977 2.308 -3.193 1.00 0.32 H new ATOM 0 HD22 LEU A 62 3.341 3.190 -4.602 1.00 0.32 H new ATOM 0 HD23 LEU A 62 3.396 3.980 -3.008 1.00 0.32 H new ATOM 90 N MET A 63 -1.489 5.948 -2.712 1.00 0.10 N ATOM 91 CA MET A 63 -2.851 6.118 -2.230 1.00 0.13 C ATOM 92 C MET A 63 -3.792 5.141 -2.923 1.00 0.18 C ATOM 93 O MET A 63 -3.945 5.149 -4.146 1.00 0.39 O ATOM 94 CB MET A 63 -3.342 7.562 -2.416 1.00 0.18 C ATOM 95 CG MET A 63 -3.471 8.002 -3.867 1.00 0.29 C ATOM 96 SD MET A 63 -4.304 9.596 -4.053 1.00 1.09 S ATOM 97 CE MET A 63 -5.879 9.261 -3.265 1.00 1.80 C ATOM 0 H MET A 63 -1.180 6.658 -3.376 1.00 0.10 H new ATOM 0 HA MET A 63 -2.850 5.904 -1.161 1.00 0.13 H new ATOM 0 HB2 MET A 63 -4.312 7.668 -1.930 1.00 0.18 H new ATOM 0 HB3 MET A 63 -2.654 8.235 -1.905 1.00 0.18 H new ATOM 0 HG2 MET A 63 -2.478 8.064 -4.311 1.00 0.29 H new ATOM 0 HG3 MET A 63 -4.022 7.244 -4.423 1.00 0.29 H new ATOM 0 HE1 MET A 63 -6.637 9.935 -3.665 1.00 1.80 H new ATOM 0 HE2 MET A 63 -6.171 8.229 -3.460 1.00 1.80 H new ATOM 0 HE3 MET A 63 -5.788 9.415 -2.190 1.00 1.80 H new ATOM 107 N VAL A 64 -4.383 4.279 -2.129 1.00 0.11 N ATOM 108 CA VAL A 64 -5.382 3.347 -2.603 1.00 0.11 C ATOM 109 C VAL A 64 -6.757 3.857 -2.197 1.00 0.16 C ATOM 110 O VAL A 64 -6.879 4.541 -1.188 1.00 0.42 O ATOM 111 CB VAL A 64 -5.128 1.944 -2.006 1.00 0.14 C ATOM 112 CG1 VAL A 64 -6.158 0.938 -2.474 1.00 0.17 C ATOM 113 CG2 VAL A 64 -3.730 1.463 -2.361 1.00 0.18 C ATOM 0 H VAL A 64 -4.184 4.203 -1.131 1.00 0.11 H new ATOM 0 HA VAL A 64 -5.328 3.267 -3.689 1.00 0.11 H new ATOM 0 HB VAL A 64 -5.215 2.029 -0.923 1.00 0.14 H new ATOM 0 HG11 VAL A 64 -5.944 -0.035 -2.032 1.00 0.17 H new ATOM 0 HG12 VAL A 64 -7.152 1.265 -2.167 1.00 0.17 H new ATOM 0 HG13 VAL A 64 -6.122 0.859 -3.560 1.00 0.17 H new ATOM 0 HG21 VAL A 64 -3.566 0.474 -1.934 1.00 0.18 H new ATOM 0 HG22 VAL A 64 -3.627 1.412 -3.445 1.00 0.18 H new ATOM 0 HG23 VAL A 64 -2.993 2.158 -1.959 1.00 0.18 H new ATOM 123 N THR A 65 -7.778 3.580 -2.991 1.00 0.19 N ATOM 124 CA THR A 65 -9.124 4.000 -2.632 1.00 0.19 C ATOM 125 C THR A 65 -10.108 2.841 -2.683 1.00 0.20 C ATOM 126 O THR A 65 -10.221 2.136 -3.689 1.00 0.24 O ATOM 127 CB THR A 65 -9.623 5.156 -3.514 1.00 0.22 C ATOM 128 OG1 THR A 65 -9.005 5.096 -4.808 1.00 0.29 O ATOM 129 CG2 THR A 65 -9.334 6.499 -2.861 1.00 0.25 C ATOM 0 H THR A 65 -7.705 3.075 -3.874 1.00 0.19 H new ATOM 0 HA THR A 65 -9.068 4.359 -1.604 1.00 0.19 H new ATOM 0 HB THR A 65 -10.702 5.054 -3.630 1.00 0.22 H new ATOM 0 HG1 THR A 65 -9.332 5.836 -5.361 1.00 0.29 H new ATOM 0 HG21 THR A 65 -9.696 7.301 -3.504 1.00 0.25 H new ATOM 0 HG22 THR A 65 -9.839 6.551 -1.896 1.00 0.25 H new ATOM 0 HG23 THR A 65 -8.259 6.609 -2.714 1.00 0.25 H new ATOM 137 N GLU A 66 -10.828 2.664 -1.586 1.00 0.20 N ATOM 138 CA GLU A 66 -11.726 1.541 -1.422 1.00 0.22 C ATOM 139 C GLU A 66 -13.183 1.962 -1.603 1.00 0.24 C ATOM 140 O GLU A 66 -13.729 2.734 -0.816 1.00 0.31 O ATOM 141 CB GLU A 66 -11.529 0.888 -0.055 1.00 0.25 C ATOM 142 CG GLU A 66 -10.113 0.392 0.198 1.00 0.35 C ATOM 143 CD GLU A 66 -9.174 1.494 0.636 1.00 0.54 C ATOM 144 OE1 GLU A 66 -9.378 2.042 1.740 1.00 0.79 O ATOM 145 OE2 GLU A 66 -8.232 1.810 -0.112 1.00 0.92 O ATOM 0 H GLU A 66 -10.803 3.297 -0.787 1.00 0.20 H new ATOM 0 HA GLU A 66 -11.487 0.812 -2.196 1.00 0.22 H new ATOM 0 HB2 GLU A 66 -11.795 1.606 0.721 1.00 0.25 H new ATOM 0 HB3 GLU A 66 -12.218 0.049 0.038 1.00 0.25 H new ATOM 0 HG2 GLU A 66 -10.136 -0.384 0.963 1.00 0.35 H new ATOM 0 HG3 GLU A 66 -9.726 -0.068 -0.711 1.00 0.35 H new ATOM 152 N LYS A 67 -13.795 1.455 -2.662 1.00 0.23 N ATOM 153 CA LYS A 67 -15.202 1.707 -2.958 1.00 0.26 C ATOM 154 C LYS A 67 -15.700 0.615 -3.894 1.00 0.26 C ATOM 155 O LYS A 67 -15.061 -0.420 -3.988 1.00 0.27 O ATOM 156 CB LYS A 67 -15.412 3.106 -3.575 1.00 0.32 C ATOM 157 CG LYS A 67 -14.636 3.368 -4.868 1.00 0.36 C ATOM 158 CD LYS A 67 -13.176 3.715 -4.607 1.00 0.34 C ATOM 159 CE LYS A 67 -12.415 3.976 -5.899 1.00 0.53 C ATOM 160 NZ LYS A 67 -12.952 5.148 -6.642 1.00 0.93 N ATOM 0 H LYS A 67 -13.331 0.855 -3.344 1.00 0.23 H new ATOM 0 HA LYS A 67 -15.774 1.688 -2.030 1.00 0.26 H new ATOM 0 HB2 LYS A 67 -16.475 3.243 -3.773 1.00 0.32 H new ATOM 0 HB3 LYS A 67 -15.126 3.857 -2.839 1.00 0.32 H new ATOM 0 HG2 LYS A 67 -14.689 2.486 -5.506 1.00 0.36 H new ATOM 0 HG3 LYS A 67 -15.109 4.184 -5.414 1.00 0.36 H new ATOM 0 HD2 LYS A 67 -13.121 4.597 -3.969 1.00 0.34 H new ATOM 0 HD3 LYS A 67 -12.700 2.898 -4.064 1.00 0.34 H new ATOM 0 HE2 LYS A 67 -11.362 4.144 -5.671 1.00 0.53 H new ATOM 0 HE3 LYS A 67 -12.466 3.091 -6.534 1.00 0.53 H new ATOM 0 HZ1 LYS A 67 -12.298 5.402 -7.409 1.00 0.93 H new ATOM 0 HZ2 LYS A 67 -13.881 4.908 -7.044 1.00 0.93 H new ATOM 0 HZ3 LYS A 67 -13.054 5.954 -5.993 1.00 0.93 H new ATOM 174 N GLN A 68 -16.802 0.840 -4.606 1.00 0.33 N ATOM 175 CA GLN A 68 -17.373 -0.195 -5.487 1.00 0.41 C ATOM 176 C GLN A 68 -16.321 -0.797 -6.429 1.00 0.42 C ATOM 177 O GLN A 68 -16.488 -1.903 -6.933 1.00 0.53 O ATOM 178 CB GLN A 68 -18.550 0.358 -6.302 1.00 0.49 C ATOM 179 CG GLN A 68 -19.834 0.538 -5.503 1.00 1.52 C ATOM 180 CD GLN A 68 -19.752 1.656 -4.482 1.00 2.26 C ATOM 181 OE1 GLN A 68 -19.361 1.445 -3.335 1.00 2.79 O ATOM 182 NE2 GLN A 68 -20.121 2.854 -4.894 1.00 3.05 N ATOM 0 H GLN A 68 -17.319 1.719 -4.596 1.00 0.33 H new ATOM 0 HA GLN A 68 -17.736 -0.991 -4.837 1.00 0.41 H new ATOM 0 HB2 GLN A 68 -18.263 1.319 -6.728 1.00 0.49 H new ATOM 0 HB3 GLN A 68 -18.746 -0.314 -7.137 1.00 0.49 H new ATOM 0 HG2 GLN A 68 -20.656 0.742 -6.190 1.00 1.52 H new ATOM 0 HG3 GLN A 68 -20.070 -0.395 -4.992 1.00 1.52 H new ATOM 0 HE21 GLN A 68 -20.439 2.988 -5.854 1.00 3.05 H new ATOM 0 HE22 GLN A 68 -20.088 3.646 -4.253 1.00 3.05 H new ATOM 191 N GLU A 69 -15.241 -0.058 -6.651 1.00 0.36 N ATOM 192 CA GLU A 69 -14.115 -0.541 -7.438 1.00 0.40 C ATOM 193 C GLU A 69 -13.226 -1.487 -6.624 1.00 0.33 C ATOM 194 O GLU A 69 -13.047 -2.651 -6.978 1.00 0.39 O ATOM 195 CB GLU A 69 -13.276 0.645 -7.901 1.00 0.45 C ATOM 196 CG GLU A 69 -12.102 0.266 -8.794 1.00 1.10 C ATOM 197 CD GLU A 69 -12.534 -0.365 -10.101 1.00 1.52 C ATOM 198 OE1 GLU A 69 -12.869 0.385 -11.041 1.00 1.63 O ATOM 199 OE2 GLU A 69 -12.539 -1.614 -10.199 1.00 2.34 O ATOM 0 H GLU A 69 -15.122 0.889 -6.292 1.00 0.36 H new ATOM 0 HA GLU A 69 -14.512 -1.089 -8.293 1.00 0.40 H new ATOM 0 HB2 GLU A 69 -13.918 1.342 -8.440 1.00 0.45 H new ATOM 0 HB3 GLU A 69 -12.897 1.172 -7.025 1.00 0.45 H new ATOM 0 HG2 GLU A 69 -11.510 1.157 -9.005 1.00 1.10 H new ATOM 0 HG3 GLU A 69 -11.454 -0.428 -8.258 1.00 1.10 H new ATOM 206 N SER A 70 -12.679 -0.977 -5.524 1.00 0.27 N ATOM 207 CA SER A 70 -11.615 -1.673 -4.812 1.00 0.22 C ATOM 208 C SER A 70 -11.932 -1.879 -3.337 1.00 0.17 C ATOM 209 O SER A 70 -11.026 -2.043 -2.526 1.00 0.16 O ATOM 210 CB SER A 70 -10.324 -0.875 -4.921 1.00 0.26 C ATOM 211 OG SER A 70 -10.135 -0.392 -6.239 1.00 0.59 O ATOM 0 H SER A 70 -12.955 -0.087 -5.109 1.00 0.27 H new ATOM 0 HA SER A 70 -11.513 -2.655 -5.275 1.00 0.22 H new ATOM 0 HB2 SER A 70 -10.350 -0.038 -4.223 1.00 0.26 H new ATOM 0 HB3 SER A 70 -9.480 -1.502 -4.635 1.00 0.26 H new ATOM 0 HG SER A 70 -9.757 -1.103 -6.797 1.00 0.59 H new ATOM 217 N LYS A 71 -13.207 -1.872 -2.983 1.00 0.19 N ATOM 218 CA LYS A 71 -13.606 -2.017 -1.588 1.00 0.20 C ATOM 219 C LYS A 71 -13.179 -3.381 -1.037 1.00 0.19 C ATOM 220 O LYS A 71 -13.126 -3.590 0.174 1.00 0.22 O ATOM 221 CB LYS A 71 -15.119 -1.826 -1.444 1.00 0.32 C ATOM 222 CG LYS A 71 -15.595 -1.600 -0.016 1.00 0.59 C ATOM 223 CD LYS A 71 -14.796 -0.521 0.691 1.00 0.42 C ATOM 224 CE LYS A 71 -15.229 -0.349 2.139 1.00 1.12 C ATOM 225 NZ LYS A 71 -16.648 0.079 2.260 1.00 1.70 N ATOM 0 H LYS A 71 -13.982 -1.768 -3.638 1.00 0.19 H new ATOM 0 HA LYS A 71 -13.102 -1.246 -1.006 1.00 0.20 H new ATOM 0 HB2 LYS A 71 -15.425 -0.976 -2.054 1.00 0.32 H new ATOM 0 HB3 LYS A 71 -15.623 -2.705 -1.847 1.00 0.32 H new ATOM 0 HG2 LYS A 71 -16.649 -1.322 -0.026 1.00 0.59 H new ATOM 0 HG3 LYS A 71 -15.517 -2.533 0.543 1.00 0.59 H new ATOM 0 HD2 LYS A 71 -13.736 -0.773 0.657 1.00 0.42 H new ATOM 0 HD3 LYS A 71 -14.916 0.424 0.162 1.00 0.42 H new ATOM 0 HE2 LYS A 71 -15.090 -1.290 2.671 1.00 1.12 H new ATOM 0 HE3 LYS A 71 -14.588 0.388 2.622 1.00 1.12 H new ATOM 0 HZ1 LYS A 71 -16.857 0.313 3.252 1.00 1.70 H new ATOM 0 HZ2 LYS A 71 -16.810 0.917 1.665 1.00 1.70 H new ATOM 0 HZ3 LYS A 71 -17.271 -0.693 1.948 1.00 1.70 H new ATOM 239 N ASN A 72 -12.877 -4.303 -1.942 1.00 0.19 N ATOM 240 CA ASN A 72 -12.333 -5.607 -1.577 1.00 0.22 C ATOM 241 C ASN A 72 -10.980 -5.457 -0.891 1.00 0.20 C ATOM 242 O ASN A 72 -10.598 -6.270 -0.049 1.00 0.27 O ATOM 243 CB ASN A 72 -12.165 -6.478 -2.824 1.00 0.26 C ATOM 244 CG ASN A 72 -13.482 -6.927 -3.430 1.00 1.15 C ATOM 245 OD1 ASN A 72 -14.494 -6.227 -3.354 1.00 2.13 O ATOM 246 ND2 ASN A 72 -13.479 -8.104 -4.034 1.00 1.62 N ATOM 0 H ASN A 72 -13.001 -4.170 -2.946 1.00 0.19 H new ATOM 0 HA ASN A 72 -13.033 -6.081 -0.888 1.00 0.22 H new ATOM 0 HB2 ASN A 72 -11.600 -5.922 -3.573 1.00 0.26 H new ATOM 0 HB3 ASN A 72 -11.574 -7.357 -2.567 1.00 0.26 H new ATOM 0 HD21 ASN A 72 -14.335 -8.462 -4.458 1.00 1.62 H new ATOM 0 HD22 ASN A 72 -12.621 -8.654 -4.076 1.00 1.62 H new ATOM 253 N PHE A 73 -10.272 -4.394 -1.246 1.00 0.16 N ATOM 254 CA PHE A 73 -8.925 -4.166 -0.749 1.00 0.14 C ATOM 255 C PHE A 73 -8.931 -3.745 0.718 1.00 0.14 C ATOM 256 O PHE A 73 -7.952 -3.981 1.430 1.00 0.14 O ATOM 257 CB PHE A 73 -8.220 -3.102 -1.600 1.00 0.14 C ATOM 258 CG PHE A 73 -6.873 -2.714 -1.066 1.00 0.13 C ATOM 259 CD1 PHE A 73 -5.758 -3.476 -1.364 1.00 0.14 C ATOM 260 CD2 PHE A 73 -6.710 -1.567 -0.301 1.00 0.17 C ATOM 261 CE1 PHE A 73 -4.514 -3.112 -0.904 1.00 0.16 C ATOM 262 CE2 PHE A 73 -5.462 -1.199 0.152 1.00 0.19 C ATOM 263 CZ PHE A 73 -4.407 -2.021 -0.010 1.00 0.15 C ATOM 0 H PHE A 73 -10.612 -3.672 -1.881 1.00 0.16 H new ATOM 0 HA PHE A 73 -8.380 -5.107 -0.824 1.00 0.14 H new ATOM 0 HB2 PHE A 73 -8.106 -3.477 -2.617 1.00 0.14 H new ATOM 0 HB3 PHE A 73 -8.851 -2.215 -1.656 1.00 0.14 H new ATOM 0 HD1 PHE A 73 -5.865 -4.367 -1.965 1.00 0.14 H new ATOM 0 HD2 PHE A 73 -7.569 -0.958 -0.059 1.00 0.17 H new ATOM 0 HE1 PHE A 73 -3.633 -3.651 -1.220 1.00 0.16 H new ATOM 0 HE2 PHE A 73 -5.329 -0.245 0.640 1.00 0.19 H new ATOM 0 HZ PHE A 73 -3.491 -1.849 0.536 1.00 0.15 H new ATOM 273 N SER A 74 -10.035 -3.145 1.162 1.00 0.16 N ATOM 274 CA SER A 74 -10.129 -2.598 2.513 1.00 0.18 C ATOM 275 C SER A 74 -9.612 -3.582 3.556 1.00 0.18 C ATOM 276 O SER A 74 -8.708 -3.268 4.325 1.00 0.24 O ATOM 277 CB SER A 74 -11.571 -2.234 2.840 1.00 0.23 C ATOM 278 OG SER A 74 -12.123 -1.413 1.836 1.00 0.71 O ATOM 0 H SER A 74 -10.879 -3.026 0.602 1.00 0.16 H new ATOM 0 HA SER A 74 -9.507 -1.704 2.543 1.00 0.18 H new ATOM 0 HB2 SER A 74 -12.166 -3.142 2.940 1.00 0.23 H new ATOM 0 HB3 SER A 74 -11.611 -1.719 3.800 1.00 0.23 H new ATOM 0 HG SER A 74 -12.488 -1.973 1.119 1.00 0.71 H new ATOM 284 N LYS A 75 -10.175 -4.781 3.562 1.00 0.16 N ATOM 285 CA LYS A 75 -9.827 -5.771 4.567 1.00 0.18 C ATOM 286 C LYS A 75 -8.621 -6.601 4.143 1.00 0.15 C ATOM 287 O LYS A 75 -8.045 -7.318 4.957 1.00 0.20 O ATOM 288 CB LYS A 75 -11.028 -6.662 4.881 1.00 0.24 C ATOM 289 CG LYS A 75 -12.261 -5.870 5.302 1.00 0.76 C ATOM 290 CD LYS A 75 -11.992 -4.997 6.522 1.00 0.90 C ATOM 291 CE LYS A 75 -13.108 -3.987 6.743 1.00 1.87 C ATOM 292 NZ LYS A 75 -14.412 -4.634 7.039 1.00 2.17 N ATOM 0 H LYS A 75 -10.872 -5.090 2.885 1.00 0.16 H new ATOM 0 HA LYS A 75 -9.548 -5.240 5.477 1.00 0.18 H new ATOM 0 HB2 LYS A 75 -11.269 -7.260 4.003 1.00 0.24 H new ATOM 0 HB3 LYS A 75 -10.760 -7.357 5.677 1.00 0.24 H new ATOM 0 HG2 LYS A 75 -12.589 -5.243 4.473 1.00 0.76 H new ATOM 0 HG3 LYS A 75 -13.076 -6.559 5.522 1.00 0.76 H new ATOM 0 HD2 LYS A 75 -11.890 -5.627 7.406 1.00 0.90 H new ATOM 0 HD3 LYS A 75 -11.045 -4.472 6.393 1.00 0.90 H new ATOM 0 HE2 LYS A 75 -12.838 -3.327 7.568 1.00 1.87 H new ATOM 0 HE3 LYS A 75 -13.209 -3.363 5.855 1.00 1.87 H new ATOM 0 HZ1 LYS A 75 -15.134 -3.903 7.198 1.00 2.17 H new ATOM 0 HZ2 LYS A 75 -14.694 -5.230 6.235 1.00 2.17 H new ATOM 0 HZ3 LYS A 75 -14.322 -5.223 7.892 1.00 2.17 H new ATOM 306 N MET A 76 -8.234 -6.504 2.873 1.00 0.13 N ATOM 307 CA MET A 76 -7.027 -7.175 2.398 1.00 0.15 C ATOM 308 C MET A 76 -5.829 -6.594 3.110 1.00 0.16 C ATOM 309 O MET A 76 -4.996 -7.316 3.654 1.00 0.20 O ATOM 310 CB MET A 76 -6.843 -6.996 0.889 1.00 0.17 C ATOM 311 CG MET A 76 -5.748 -7.884 0.306 1.00 0.23 C ATOM 312 SD MET A 76 -6.037 -9.634 0.619 1.00 0.51 S ATOM 313 CE MET A 76 -4.620 -10.353 -0.208 1.00 1.35 C ATOM 0 H MET A 76 -8.734 -5.972 2.160 1.00 0.13 H new ATOM 0 HA MET A 76 -7.124 -8.240 2.607 1.00 0.15 H new ATOM 0 HB2 MET A 76 -7.785 -7.215 0.386 1.00 0.17 H new ATOM 0 HB3 MET A 76 -6.605 -5.953 0.680 1.00 0.17 H new ATOM 0 HG2 MET A 76 -5.683 -7.717 -0.769 1.00 0.23 H new ATOM 0 HG3 MET A 76 -4.787 -7.596 0.732 1.00 0.23 H new ATOM 0 HE1 MET A 76 -4.765 -11.429 -0.309 1.00 1.35 H new ATOM 0 HE2 MET A 76 -4.511 -9.907 -1.197 1.00 1.35 H new ATOM 0 HE3 MET A 76 -3.721 -10.161 0.378 1.00 1.35 H new ATOM 323 N ALA A 77 -5.776 -5.274 3.117 1.00 0.15 N ATOM 324 CA ALA A 77 -4.697 -4.556 3.765 1.00 0.19 C ATOM 325 C ALA A 77 -4.755 -4.732 5.280 1.00 0.26 C ATOM 326 O ALA A 77 -3.740 -4.648 5.969 1.00 0.47 O ATOM 327 CB ALA A 77 -4.750 -3.087 3.390 1.00 0.17 C ATOM 0 H ALA A 77 -6.475 -4.675 2.677 1.00 0.15 H new ATOM 0 HA ALA A 77 -3.750 -4.970 3.420 1.00 0.19 H new ATOM 0 HB1 ALA A 77 -3.935 -2.556 3.882 1.00 0.17 H new ATOM 0 HB2 ALA A 77 -4.650 -2.983 2.310 1.00 0.17 H new ATOM 0 HB3 ALA A 77 -5.703 -2.664 3.709 1.00 0.17 H new ATOM 333 N LYS A 78 -5.956 -4.991 5.784 1.00 0.17 N ATOM 334 CA LYS A 78 -6.176 -5.181 7.208 1.00 0.21 C ATOM 335 C LYS A 78 -5.768 -6.579 7.647 1.00 0.19 C ATOM 336 O LYS A 78 -5.688 -6.866 8.841 1.00 0.33 O ATOM 337 CB LYS A 78 -7.645 -4.975 7.529 1.00 0.32 C ATOM 338 CG LYS A 78 -8.150 -3.577 7.237 1.00 0.54 C ATOM 339 CD LYS A 78 -8.148 -2.683 8.467 1.00 0.46 C ATOM 340 CE LYS A 78 -9.145 -1.544 8.306 1.00 0.58 C ATOM 341 NZ LYS A 78 -9.201 -0.670 9.507 1.00 1.30 N ATOM 0 H LYS A 78 -6.800 -5.074 5.217 1.00 0.17 H new ATOM 0 HA LYS A 78 -5.565 -4.454 7.743 1.00 0.21 H new ATOM 0 HB2 LYS A 78 -8.235 -5.690 6.956 1.00 0.32 H new ATOM 0 HB3 LYS A 78 -7.810 -5.197 8.583 1.00 0.32 H new ATOM 0 HG2 LYS A 78 -7.529 -3.125 6.464 1.00 0.54 H new ATOM 0 HG3 LYS A 78 -9.163 -3.637 6.838 1.00 0.54 H new ATOM 0 HD2 LYS A 78 -8.399 -3.271 9.350 1.00 0.46 H new ATOM 0 HD3 LYS A 78 -7.149 -2.278 8.627 1.00 0.46 H new ATOM 0 HE2 LYS A 78 -8.873 -0.946 7.436 1.00 0.58 H new ATOM 0 HE3 LYS A 78 -10.136 -1.956 8.112 1.00 0.58 H new ATOM 0 HZ1 LYS A 78 -9.893 0.091 9.351 1.00 1.30 H new ATOM 0 HZ2 LYS A 78 -9.486 -1.233 10.333 1.00 1.30 H new ATOM 0 HZ3 LYS A 78 -8.263 -0.255 9.678 1.00 1.30 H new ATOM 355 N SER A 79 -5.531 -7.453 6.682 1.00 0.13 N ATOM 356 CA SER A 79 -5.184 -8.829 6.984 1.00 0.14 C ATOM 357 C SER A 79 -3.745 -8.890 7.476 1.00 0.15 C ATOM 358 O SER A 79 -2.906 -8.134 6.998 1.00 0.17 O ATOM 359 CB SER A 79 -5.366 -9.707 5.746 1.00 0.21 C ATOM 360 OG SER A 79 -5.163 -11.078 6.052 1.00 0.30 O ATOM 0 H SER A 79 -5.573 -7.234 5.687 1.00 0.13 H new ATOM 0 HA SER A 79 -5.845 -9.205 7.765 1.00 0.14 H new ATOM 0 HB2 SER A 79 -6.369 -9.567 5.342 1.00 0.21 H new ATOM 0 HB3 SER A 79 -4.664 -9.397 4.971 1.00 0.21 H new ATOM 0 HG SER A 79 -5.287 -11.616 5.242 1.00 0.30 H new ATOM 366 N GLN A 80 -3.463 -9.793 8.415 1.00 0.26 N ATOM 367 CA GLN A 80 -2.145 -9.874 9.049 1.00 0.33 C ATOM 368 C GLN A 80 -1.027 -9.988 8.011 1.00 0.27 C ATOM 369 O GLN A 80 0.063 -9.438 8.197 1.00 0.32 O ATOM 370 CB GLN A 80 -2.093 -11.060 10.016 1.00 0.45 C ATOM 371 CG GLN A 80 -0.740 -11.248 10.683 1.00 1.51 C ATOM 372 CD GLN A 80 -0.736 -12.392 11.673 1.00 1.98 C ATOM 373 OE1 GLN A 80 -1.488 -13.352 11.534 1.00 2.65 O ATOM 374 NE2 GLN A 80 0.116 -12.304 12.677 1.00 2.42 N ATOM 0 H GLN A 80 -4.133 -10.483 8.756 1.00 0.26 H new ATOM 0 HA GLN A 80 -1.988 -8.951 9.607 1.00 0.33 H new ATOM 0 HB2 GLN A 80 -2.852 -10.922 10.786 1.00 0.45 H new ATOM 0 HB3 GLN A 80 -2.350 -11.970 9.474 1.00 0.45 H new ATOM 0 HG2 GLN A 80 0.016 -11.430 9.919 1.00 1.51 H new ATOM 0 HG3 GLN A 80 -0.460 -10.328 11.195 1.00 1.51 H new ATOM 0 HE21 GLN A 80 0.725 -11.490 12.759 1.00 2.42 H new ATOM 0 HE22 GLN A 80 0.165 -13.050 13.371 1.00 2.42 H new ATOM 383 N SER A 81 -1.308 -10.690 6.920 1.00 0.24 N ATOM 384 CA SER A 81 -0.365 -10.812 5.819 1.00 0.22 C ATOM 385 C SER A 81 0.018 -9.440 5.278 1.00 0.16 C ATOM 386 O SER A 81 1.200 -9.082 5.232 1.00 0.18 O ATOM 387 CB SER A 81 -0.981 -11.665 4.713 1.00 0.27 C ATOM 388 OG SER A 81 -2.287 -11.211 4.394 1.00 0.99 O ATOM 0 H SER A 81 -2.188 -11.186 6.775 1.00 0.24 H new ATOM 0 HA SER A 81 0.542 -11.294 6.185 1.00 0.22 H new ATOM 0 HB2 SER A 81 -0.351 -11.627 3.824 1.00 0.27 H new ATOM 0 HB3 SER A 81 -1.021 -12.707 5.031 1.00 0.27 H new ATOM 0 HG SER A 81 -2.663 -11.770 3.682 1.00 0.99 H new ATOM 394 N PHE A 82 -0.981 -8.656 4.898 1.00 0.12 N ATOM 395 CA PHE A 82 -0.717 -7.356 4.326 1.00 0.11 C ATOM 396 C PHE A 82 -0.417 -6.331 5.408 1.00 0.12 C ATOM 397 O PHE A 82 0.168 -5.299 5.139 1.00 0.14 O ATOM 398 CB PHE A 82 -1.851 -6.851 3.445 1.00 0.12 C ATOM 399 CG PHE A 82 -1.324 -6.014 2.319 1.00 0.11 C ATOM 400 CD1 PHE A 82 -0.490 -6.579 1.367 1.00 0.09 C ATOM 401 CD2 PHE A 82 -1.636 -4.670 2.222 1.00 0.14 C ATOM 402 CE1 PHE A 82 0.026 -5.817 0.340 1.00 0.10 C ATOM 403 CE2 PHE A 82 -1.127 -3.902 1.198 1.00 0.13 C ATOM 404 CZ PHE A 82 -0.292 -4.476 0.255 1.00 0.09 C ATOM 0 H PHE A 82 -1.969 -8.899 4.976 1.00 0.12 H new ATOM 0 HA PHE A 82 0.160 -7.483 3.691 1.00 0.11 H new ATOM 0 HB2 PHE A 82 -2.409 -7.697 3.044 1.00 0.12 H new ATOM 0 HB3 PHE A 82 -2.548 -6.264 4.044 1.00 0.12 H new ATOM 0 HD1 PHE A 82 -0.241 -7.628 1.430 1.00 0.09 H new ATOM 0 HD2 PHE A 82 -2.286 -4.218 2.957 1.00 0.14 H new ATOM 0 HE1 PHE A 82 0.676 -6.267 -0.395 1.00 0.10 H new ATOM 0 HE2 PHE A 82 -1.379 -2.854 1.131 1.00 0.13 H new ATOM 0 HZ PHE A 82 0.111 -3.875 -0.547 1.00 0.09 H new ATOM 414 N SER A 83 -0.841 -6.579 6.627 1.00 0.13 N ATOM 415 CA SER A 83 -0.485 -5.692 7.718 1.00 0.17 C ATOM 416 C SER A 83 1.028 -5.690 7.917 1.00 0.21 C ATOM 417 O SER A 83 1.620 -4.673 8.237 1.00 0.40 O ATOM 418 CB SER A 83 -1.194 -6.105 9.008 1.00 0.21 C ATOM 419 OG SER A 83 -2.601 -6.046 8.854 1.00 1.17 O ATOM 0 H SER A 83 -1.424 -7.374 6.888 1.00 0.13 H new ATOM 0 HA SER A 83 -0.809 -4.683 7.463 1.00 0.17 H new ATOM 0 HB2 SER A 83 -0.897 -7.117 9.283 1.00 0.21 H new ATOM 0 HB3 SER A 83 -0.886 -5.450 9.823 1.00 0.21 H new ATOM 0 HG SER A 83 -2.882 -6.687 8.168 1.00 1.17 H new ATOM 425 N THR A 84 1.649 -6.825 7.661 1.00 0.17 N ATOM 426 CA THR A 84 3.046 -7.016 7.946 1.00 0.22 C ATOM 427 C THR A 84 3.954 -6.755 6.736 1.00 0.16 C ATOM 428 O THR A 84 5.008 -6.133 6.877 1.00 0.21 O ATOM 429 CB THR A 84 3.242 -8.456 8.423 1.00 0.36 C ATOM 430 OG1 THR A 84 2.531 -8.673 9.649 1.00 0.80 O ATOM 431 CG2 THR A 84 4.698 -8.758 8.597 1.00 0.64 C ATOM 0 H THR A 84 1.192 -7.639 7.249 1.00 0.17 H new ATOM 0 HA THR A 84 3.331 -6.293 8.710 1.00 0.22 H new ATOM 0 HB THR A 84 2.842 -9.131 7.666 1.00 0.36 H new ATOM 0 HG1 THR A 84 1.614 -8.955 9.450 1.00 0.80 H new ATOM 0 HG21 THR A 84 4.818 -9.787 8.937 1.00 0.64 H new ATOM 0 HG22 THR A 84 5.213 -8.628 7.645 1.00 0.64 H new ATOM 0 HG23 THR A 84 5.124 -8.080 9.336 1.00 0.64 H new ATOM 439 N ARG A 85 3.507 -7.194 5.557 1.00 0.15 N ATOM 440 CA ARG A 85 4.375 -7.361 4.377 1.00 0.16 C ATOM 441 C ARG A 85 5.392 -6.216 4.177 1.00 0.15 C ATOM 442 O ARG A 85 6.589 -6.468 4.052 1.00 0.15 O ATOM 443 CB ARG A 85 3.523 -7.597 3.106 1.00 0.19 C ATOM 444 CG ARG A 85 3.009 -6.339 2.422 1.00 0.17 C ATOM 445 CD ARG A 85 2.159 -5.538 3.348 1.00 0.14 C ATOM 446 NE ARG A 85 1.806 -4.224 2.813 1.00 0.14 N ATOM 447 CZ ARG A 85 1.758 -3.109 3.548 1.00 0.14 C ATOM 448 NH1 ARG A 85 1.961 -3.162 4.861 1.00 0.14 N ATOM 449 NH2 ARG A 85 1.480 -1.943 2.973 1.00 0.19 N ATOM 0 H ARG A 85 2.533 -7.445 5.388 1.00 0.15 H new ATOM 0 HA ARG A 85 4.981 -8.247 4.566 1.00 0.16 H new ATOM 0 HB2 ARG A 85 4.119 -8.162 2.389 1.00 0.19 H new ATOM 0 HB3 ARG A 85 2.669 -8.220 3.372 1.00 0.19 H new ATOM 0 HG2 ARG A 85 3.851 -5.736 2.082 1.00 0.17 H new ATOM 0 HG3 ARG A 85 2.433 -6.611 1.537 1.00 0.17 H new ATOM 0 HD2 ARG A 85 1.246 -6.093 3.564 1.00 0.14 H new ATOM 0 HD3 ARG A 85 2.685 -5.409 4.294 1.00 0.14 H new ATOM 0 HE ARG A 85 1.583 -4.154 1.820 1.00 0.14 H new ATOM 0 HH11 ARG A 85 2.154 -4.056 5.311 1.00 0.14 H new ATOM 0 HH12 ARG A 85 1.923 -2.308 5.418 1.00 0.14 H new ATOM 0 HH21 ARG A 85 1.303 -1.899 1.969 1.00 0.19 H new ATOM 0 HH22 ARG A 85 1.444 -1.093 3.535 1.00 0.19 H new ATOM 463 N ILE A 86 4.931 -4.969 4.159 1.00 0.13 N ATOM 464 CA ILE A 86 5.805 -3.842 3.897 1.00 0.13 C ATOM 465 C ILE A 86 6.364 -3.270 5.194 1.00 0.14 C ATOM 466 O ILE A 86 7.478 -2.756 5.227 1.00 0.16 O ATOM 467 CB ILE A 86 5.089 -2.720 3.109 1.00 0.10 C ATOM 468 CG1 ILE A 86 4.538 -3.253 1.794 1.00 0.14 C ATOM 469 CG2 ILE A 86 6.029 -1.571 2.837 1.00 0.13 C ATOM 470 CD1 ILE A 86 5.476 -4.204 1.107 1.00 0.21 C ATOM 0 H ILE A 86 3.956 -4.719 4.323 1.00 0.13 H new ATOM 0 HA ILE A 86 6.624 -4.221 3.285 1.00 0.13 H new ATOM 0 HB ILE A 86 4.261 -2.361 3.720 1.00 0.10 H new ATOM 0 HG12 ILE A 86 3.590 -3.758 1.982 1.00 0.14 H new ATOM 0 HG13 ILE A 86 4.327 -2.416 1.129 1.00 0.14 H new ATOM 0 HG21 ILE A 86 5.503 -0.794 2.282 1.00 0.13 H new ATOM 0 HG22 ILE A 86 6.387 -1.162 3.782 1.00 0.13 H new ATOM 0 HG23 ILE A 86 6.877 -1.925 2.251 1.00 0.13 H new ATOM 0 HD11 ILE A 86 5.027 -4.549 0.176 1.00 0.21 H new ATOM 0 HD12 ILE A 86 6.415 -3.695 0.890 1.00 0.21 H new ATOM 0 HD13 ILE A 86 5.668 -5.059 1.756 1.00 0.21 H new ATOM 482 N GLU A 87 5.569 -3.351 6.260 1.00 0.16 N ATOM 483 CA GLU A 87 5.950 -2.824 7.565 1.00 0.20 C ATOM 484 C GLU A 87 7.255 -3.430 8.075 1.00 0.22 C ATOM 485 O GLU A 87 7.988 -2.787 8.825 1.00 0.28 O ATOM 486 CB GLU A 87 4.810 -3.041 8.564 1.00 0.27 C ATOM 487 CG GLU A 87 3.559 -2.272 8.178 1.00 0.40 C ATOM 488 CD GLU A 87 2.539 -2.128 9.290 1.00 0.44 C ATOM 489 OE1 GLU A 87 2.750 -2.680 10.385 1.00 0.56 O ATOM 490 OE2 GLU A 87 1.517 -1.442 9.059 1.00 0.89 O ATOM 0 H GLU A 87 4.645 -3.783 6.241 1.00 0.16 H new ATOM 0 HA GLU A 87 6.129 -1.754 7.456 1.00 0.20 H new ATOM 0 HB2 GLU A 87 4.578 -4.104 8.623 1.00 0.27 H new ATOM 0 HB3 GLU A 87 5.134 -2.730 9.557 1.00 0.27 H new ATOM 0 HG2 GLU A 87 3.850 -1.278 7.838 1.00 0.40 H new ATOM 0 HG3 GLU A 87 3.087 -2.772 7.332 1.00 0.40 H new ATOM 497 N GLU A 88 7.560 -4.650 7.652 1.00 0.25 N ATOM 498 CA GLU A 88 8.819 -5.276 8.035 1.00 0.30 C ATOM 499 C GLU A 88 9.927 -4.902 7.062 1.00 0.32 C ATOM 500 O GLU A 88 11.108 -5.080 7.350 1.00 0.37 O ATOM 501 CB GLU A 88 8.684 -6.793 8.118 1.00 0.42 C ATOM 502 CG GLU A 88 7.914 -7.255 9.339 1.00 0.52 C ATOM 503 CD GLU A 88 8.308 -8.650 9.777 1.00 1.09 C ATOM 504 OE1 GLU A 88 9.514 -8.911 9.948 1.00 1.54 O ATOM 505 OE2 GLU A 88 7.410 -9.505 9.927 1.00 1.64 O ATOM 0 H GLU A 88 6.963 -5.219 7.052 1.00 0.25 H new ATOM 0 HA GLU A 88 9.081 -4.903 9.025 1.00 0.30 H new ATOM 0 HB2 GLU A 88 8.183 -7.157 7.221 1.00 0.42 H new ATOM 0 HB3 GLU A 88 9.678 -7.240 8.132 1.00 0.42 H new ATOM 0 HG2 GLU A 88 8.086 -6.558 10.159 1.00 0.52 H new ATOM 0 HG3 GLU A 88 6.846 -7.234 9.121 1.00 0.52 H new ATOM 512 N LEU A 89 9.542 -4.374 5.912 1.00 0.34 N ATOM 513 CA LEU A 89 10.504 -3.969 4.905 1.00 0.35 C ATOM 514 C LEU A 89 10.923 -2.520 5.106 1.00 0.34 C ATOM 515 O LEU A 89 12.009 -2.112 4.692 1.00 0.38 O ATOM 516 CB LEU A 89 9.937 -4.158 3.504 1.00 0.33 C ATOM 517 CG LEU A 89 10.782 -5.033 2.585 1.00 0.32 C ATOM 518 CD1 LEU A 89 12.255 -4.685 2.691 1.00 0.32 C ATOM 519 CD2 LEU A 89 10.554 -6.494 2.898 1.00 0.37 C ATOM 0 H LEU A 89 8.568 -4.216 5.654 1.00 0.34 H new ATOM 0 HA LEU A 89 11.383 -4.604 5.013 1.00 0.35 H new ATOM 0 HB2 LEU A 89 8.942 -4.596 3.586 1.00 0.33 H new ATOM 0 HB3 LEU A 89 9.817 -3.179 3.041 1.00 0.33 H new ATOM 0 HG LEU A 89 10.472 -4.842 1.558 1.00 0.32 H new ATOM 0 HD11 LEU A 89 12.830 -5.327 2.023 1.00 0.32 H new ATOM 0 HD12 LEU A 89 12.404 -3.643 2.409 1.00 0.32 H new ATOM 0 HD13 LEU A 89 12.591 -4.835 3.717 1.00 0.32 H new ATOM 0 HD21 LEU A 89 11.163 -7.108 2.235 1.00 0.37 H new ATOM 0 HD22 LEU A 89 10.832 -6.692 3.933 1.00 0.37 H new ATOM 0 HD23 LEU A 89 9.502 -6.737 2.752 1.00 0.37 H new ATOM 531 N GLY A 90 10.069 -1.749 5.754 1.00 0.31 N ATOM 532 CA GLY A 90 10.398 -0.370 6.033 1.00 0.31 C ATOM 533 C GLY A 90 9.230 0.573 5.813 1.00 0.26 C ATOM 534 O GLY A 90 9.270 1.729 6.229 1.00 0.29 O ATOM 0 H GLY A 90 9.155 -2.052 6.092 1.00 0.31 H new ATOM 0 HA2 GLY A 90 10.738 -0.285 7.065 1.00 0.31 H new ATOM 0 HA3 GLY A 90 11.229 -0.065 5.398 1.00 0.31 H new ATOM 538 N GLY A 91 8.189 0.081 5.154 1.00 0.22 N ATOM 539 CA GLY A 91 7.017 0.898 4.896 1.00 0.18 C ATOM 540 C GLY A 91 5.868 0.526 5.813 1.00 0.14 C ATOM 541 O GLY A 91 6.107 0.040 6.918 1.00 0.16 O ATOM 0 H GLY A 91 8.134 -0.871 4.792 1.00 0.22 H new ATOM 0 HA2 GLY A 91 7.268 1.950 5.033 1.00 0.18 H new ATOM 0 HA3 GLY A 91 6.709 0.777 3.857 1.00 0.18 H new ATOM 545 N SER A 92 4.621 0.730 5.361 1.00 0.12 N ATOM 546 CA SER A 92 3.450 0.346 6.149 1.00 0.12 C ATOM 547 C SER A 92 2.140 0.714 5.463 1.00 0.11 C ATOM 548 O SER A 92 2.127 1.213 4.336 1.00 0.12 O ATOM 549 CB SER A 92 3.498 0.991 7.538 1.00 0.16 C ATOM 550 OG SER A 92 3.625 2.402 7.451 1.00 0.21 O ATOM 0 H SER A 92 4.403 1.156 4.460 1.00 0.12 H new ATOM 0 HA SER A 92 3.483 -0.739 6.246 1.00 0.12 H new ATOM 0 HB2 SER A 92 2.592 0.739 8.089 1.00 0.16 H new ATOM 0 HB3 SER A 92 4.337 0.583 8.101 1.00 0.16 H new ATOM 0 HG SER A 92 3.651 2.784 8.353 1.00 0.21 H new ATOM 556 N ILE A 93 1.033 0.409 6.137 1.00 0.14 N ATOM 557 CA ILE A 93 -0.284 0.833 5.688 1.00 0.13 C ATOM 558 C ILE A 93 -0.720 2.066 6.470 1.00 0.14 C ATOM 559 O ILE A 93 -0.481 2.154 7.674 1.00 0.25 O ATOM 560 CB ILE A 93 -1.371 -0.243 5.909 1.00 0.18 C ATOM 561 CG1 ILE A 93 -1.054 -1.548 5.199 1.00 0.18 C ATOM 562 CG2 ILE A 93 -2.713 0.271 5.428 1.00 0.22 C ATOM 563 CD1 ILE A 93 -0.891 -2.702 6.147 1.00 0.24 C ATOM 0 H ILE A 93 1.026 -0.134 7.001 1.00 0.14 H new ATOM 0 HA ILE A 93 -0.191 1.031 4.620 1.00 0.13 H new ATOM 0 HB ILE A 93 -1.402 -0.446 6.979 1.00 0.18 H new ATOM 0 HG12 ILE A 93 -1.852 -1.775 4.492 1.00 0.18 H new ATOM 0 HG13 ILE A 93 -0.139 -1.428 4.619 1.00 0.18 H new ATOM 0 HG21 ILE A 93 -3.474 -0.493 5.587 1.00 0.22 H new ATOM 0 HG22 ILE A 93 -2.979 1.170 5.985 1.00 0.22 H new ATOM 0 HG23 ILE A 93 -2.653 0.507 4.366 1.00 0.22 H new ATOM 0 HD11 ILE A 93 -0.666 -3.607 5.583 1.00 0.24 H new ATOM 0 HD12 ILE A 93 -0.075 -2.493 6.838 1.00 0.24 H new ATOM 0 HD13 ILE A 93 -1.814 -2.845 6.709 1.00 0.24 H new ATOM 575 N SER A 94 -1.342 3.009 5.791 1.00 0.09 N ATOM 576 CA SER A 94 -2.002 4.116 6.454 1.00 0.12 C ATOM 577 C SER A 94 -3.462 4.164 6.024 1.00 0.14 C ATOM 578 O SER A 94 -3.769 4.499 4.882 1.00 0.19 O ATOM 579 CB SER A 94 -1.311 5.436 6.114 1.00 0.15 C ATOM 580 OG SER A 94 0.098 5.334 6.271 1.00 0.17 O ATOM 0 H SER A 94 -1.404 3.030 4.773 1.00 0.09 H new ATOM 0 HA SER A 94 -1.945 3.969 7.532 1.00 0.12 H new ATOM 0 HB2 SER A 94 -1.546 5.719 5.088 1.00 0.15 H new ATOM 0 HB3 SER A 94 -1.695 6.227 6.758 1.00 0.15 H new ATOM 0 HG SER A 94 0.515 6.192 6.045 1.00 0.17 H new ATOM 586 N PHE A 95 -4.358 3.797 6.923 1.00 0.15 N ATOM 587 CA PHE A 95 -5.779 3.787 6.606 1.00 0.16 C ATOM 588 C PHE A 95 -6.402 5.141 6.874 1.00 0.18 C ATOM 589 O PHE A 95 -6.553 5.559 8.022 1.00 0.26 O ATOM 590 CB PHE A 95 -6.530 2.713 7.399 1.00 0.18 C ATOM 591 CG PHE A 95 -6.324 1.315 6.907 1.00 0.26 C ATOM 592 CD1 PHE A 95 -7.046 0.832 5.829 1.00 0.39 C ATOM 593 CD2 PHE A 95 -5.391 0.490 7.511 1.00 0.39 C ATOM 594 CE1 PHE A 95 -6.837 -0.449 5.360 1.00 0.50 C ATOM 595 CE2 PHE A 95 -5.182 -0.793 7.050 1.00 0.50 C ATOM 596 CZ PHE A 95 -5.977 -1.288 6.016 1.00 0.52 C ATOM 0 H PHE A 95 -4.131 3.503 7.873 1.00 0.15 H new ATOM 0 HA PHE A 95 -5.865 3.555 5.545 1.00 0.16 H new ATOM 0 HB2 PHE A 95 -6.218 2.766 8.442 1.00 0.18 H new ATOM 0 HB3 PHE A 95 -7.596 2.940 7.373 1.00 0.18 H new ATOM 0 HD1 PHE A 95 -7.780 1.464 5.351 1.00 0.39 H new ATOM 0 HD2 PHE A 95 -4.821 0.855 8.352 1.00 0.39 H new ATOM 0 HE1 PHE A 95 -7.353 -0.790 4.474 1.00 0.50 H new ATOM 0 HE2 PHE A 95 -4.409 -1.409 7.486 1.00 0.50 H new ATOM 0 HZ PHE A 95 -5.914 -2.329 5.734 1.00 0.52 H new ATOM 606 N LEU A 96 -6.746 5.829 5.805 1.00 0.16 N ATOM 607 CA LEU A 96 -7.485 7.065 5.903 1.00 0.18 C ATOM 608 C LEU A 96 -8.958 6.743 5.686 1.00 0.21 C ATOM 609 O LEU A 96 -9.498 6.918 4.585 1.00 0.23 O ATOM 610 CB LEU A 96 -7.012 8.099 4.868 1.00 0.20 C ATOM 611 CG LEU A 96 -5.502 8.391 4.799 1.00 0.21 C ATOM 612 CD1 LEU A 96 -4.880 8.466 6.183 1.00 0.70 C ATOM 613 CD2 LEU A 96 -4.777 7.370 3.938 1.00 0.79 C ATOM 0 H LEU A 96 -6.522 5.547 4.851 1.00 0.16 H new ATOM 0 HA LEU A 96 -7.321 7.505 6.887 1.00 0.18 H new ATOM 0 HB2 LEU A 96 -7.336 7.762 3.883 1.00 0.20 H new ATOM 0 HB3 LEU A 96 -7.528 9.038 5.069 1.00 0.20 H new ATOM 0 HG LEU A 96 -5.388 9.369 4.330 1.00 0.21 H new ATOM 0 HD11 LEU A 96 -3.814 8.674 6.092 1.00 0.70 H new ATOM 0 HD12 LEU A 96 -5.357 9.263 6.754 1.00 0.70 H new ATOM 0 HD13 LEU A 96 -5.022 7.516 6.698 1.00 0.70 H new ATOM 0 HD21 LEU A 96 -3.713 7.606 3.911 1.00 0.79 H new ATOM 0 HD22 LEU A 96 -4.917 6.374 4.359 1.00 0.79 H new ATOM 0 HD23 LEU A 96 -5.180 7.396 2.926 1.00 0.79 H new ATOM 625 N THR A 97 -9.595 6.238 6.734 1.00 0.24 N ATOM 626 CA THR A 97 -10.965 5.749 6.654 1.00 0.29 C ATOM 627 C THR A 97 -11.949 6.888 6.401 1.00 0.34 C ATOM 628 O THR A 97 -13.135 6.659 6.158 1.00 0.41 O ATOM 629 CB THR A 97 -11.345 4.999 7.943 1.00 0.33 C ATOM 630 OG1 THR A 97 -10.991 5.794 9.082 1.00 0.36 O ATOM 631 CG2 THR A 97 -10.635 3.654 8.019 1.00 0.35 C ATOM 0 H THR A 97 -9.178 6.156 7.661 1.00 0.24 H new ATOM 0 HA THR A 97 -11.022 5.060 5.812 1.00 0.29 H new ATOM 0 HB THR A 97 -12.420 4.821 7.935 1.00 0.33 H new ATOM 0 HG1 THR A 97 -11.235 5.317 9.903 1.00 0.36 H new ATOM 0 HG21 THR A 97 -10.920 3.144 8.939 1.00 0.35 H new ATOM 0 HG22 THR A 97 -10.920 3.043 7.162 1.00 0.35 H new ATOM 0 HG23 THR A 97 -9.556 3.811 8.011 1.00 0.35 H new ATOM 639 N GLU A 98 -11.430 8.111 6.464 1.00 0.34 N ATOM 640 CA GLU A 98 -12.186 9.317 6.155 1.00 0.42 C ATOM 641 C GLU A 98 -12.966 9.180 4.846 1.00 0.38 C ATOM 642 O GLU A 98 -14.172 9.433 4.802 1.00 0.39 O ATOM 643 CB GLU A 98 -11.217 10.502 6.083 1.00 0.52 C ATOM 644 CG GLU A 98 -11.774 11.722 5.369 1.00 0.85 C ATOM 645 CD GLU A 98 -10.867 12.926 5.491 1.00 1.14 C ATOM 646 OE1 GLU A 98 -10.942 13.633 6.517 1.00 1.45 O ATOM 647 OE2 GLU A 98 -10.078 13.179 4.558 1.00 1.39 O ATOM 0 H GLU A 98 -10.463 8.293 6.734 1.00 0.34 H new ATOM 0 HA GLU A 98 -12.919 9.482 6.944 1.00 0.42 H new ATOM 0 HB2 GLU A 98 -10.933 10.786 7.096 1.00 0.52 H new ATOM 0 HB3 GLU A 98 -10.307 10.182 5.575 1.00 0.52 H new ATOM 0 HG2 GLU A 98 -11.921 11.487 4.315 1.00 0.85 H new ATOM 0 HG3 GLU A 98 -12.753 11.965 5.781 1.00 0.85 H new ATOM 654 N THR A 99 -12.286 8.776 3.785 1.00 0.37 N ATOM 655 CA THR A 99 -12.923 8.656 2.481 1.00 0.37 C ATOM 656 C THR A 99 -12.866 7.222 1.962 1.00 0.34 C ATOM 657 O THR A 99 -13.638 6.836 1.085 1.00 0.55 O ATOM 658 CB THR A 99 -12.245 9.592 1.466 1.00 0.44 C ATOM 659 OG1 THR A 99 -12.066 10.885 2.055 1.00 0.50 O ATOM 660 CG2 THR A 99 -13.075 9.727 0.198 1.00 0.49 C ATOM 0 H THR A 99 -11.297 8.526 3.799 1.00 0.37 H new ATOM 0 HA THR A 99 -13.969 8.940 2.600 1.00 0.37 H new ATOM 0 HB THR A 99 -11.279 9.162 1.199 1.00 0.44 H new ATOM 0 HG1 THR A 99 -11.632 11.481 1.409 1.00 0.50 H new ATOM 0 HG21 THR A 99 -12.569 10.395 -0.499 1.00 0.49 H new ATOM 0 HG22 THR A 99 -13.197 8.747 -0.263 1.00 0.49 H new ATOM 0 HG23 THR A 99 -14.054 10.136 0.446 1.00 0.49 H new ATOM 668 N GLY A 100 -11.973 6.427 2.529 1.00 0.19 N ATOM 669 CA GLY A 100 -11.717 5.112 1.984 1.00 0.18 C ATOM 670 C GLY A 100 -10.397 5.083 1.262 1.00 0.16 C ATOM 671 O GLY A 100 -10.290 4.524 0.180 1.00 0.21 O ATOM 0 H GLY A 100 -11.423 6.668 3.354 1.00 0.19 H new ATOM 0 HA2 GLY A 100 -11.714 4.374 2.787 1.00 0.18 H new ATOM 0 HA3 GLY A 100 -12.518 4.835 1.299 1.00 0.18 H new ATOM 675 N VAL A 101 -9.404 5.745 1.832 1.00 0.13 N ATOM 676 CA VAL A 101 -8.086 5.790 1.235 1.00 0.14 C ATOM 677 C VAL A 101 -7.111 4.976 2.063 1.00 0.12 C ATOM 678 O VAL A 101 -6.907 5.258 3.238 1.00 0.23 O ATOM 679 CB VAL A 101 -7.549 7.231 1.134 1.00 0.16 C ATOM 680 CG1 VAL A 101 -6.218 7.256 0.396 1.00 0.21 C ATOM 681 CG2 VAL A 101 -8.565 8.148 0.471 1.00 0.23 C ATOM 0 H VAL A 101 -9.489 6.259 2.709 1.00 0.13 H new ATOM 0 HA VAL A 101 -8.177 5.377 0.230 1.00 0.14 H new ATOM 0 HB VAL A 101 -7.381 7.604 2.144 1.00 0.16 H new ATOM 0 HG11 VAL A 101 -5.855 8.282 0.335 1.00 0.21 H new ATOM 0 HG12 VAL A 101 -5.492 6.646 0.934 1.00 0.21 H new ATOM 0 HG13 VAL A 101 -6.352 6.858 -0.610 1.00 0.21 H new ATOM 0 HG21 VAL A 101 -8.160 9.158 0.413 1.00 0.23 H new ATOM 0 HG22 VAL A 101 -8.781 7.785 -0.534 1.00 0.23 H new ATOM 0 HG23 VAL A 101 -9.483 8.159 1.058 1.00 0.23 H new ATOM 691 N THR A 102 -6.532 3.963 1.466 1.00 0.10 N ATOM 692 CA THR A 102 -5.476 3.222 2.112 1.00 0.09 C ATOM 693 C THR A 102 -4.129 3.570 1.488 1.00 0.09 C ATOM 694 O THR A 102 -3.821 3.170 0.370 1.00 0.10 O ATOM 695 CB THR A 102 -5.716 1.709 2.031 1.00 0.10 C ATOM 696 OG1 THR A 102 -6.967 1.388 2.647 1.00 0.11 O ATOM 697 CG2 THR A 102 -4.607 0.953 2.740 1.00 0.12 C ATOM 0 H THR A 102 -6.775 3.632 0.532 1.00 0.10 H new ATOM 0 HA THR A 102 -5.470 3.505 3.165 1.00 0.09 H new ATOM 0 HB THR A 102 -5.730 1.417 0.981 1.00 0.10 H new ATOM 0 HG1 THR A 102 -6.813 1.107 3.573 1.00 0.11 H new ATOM 0 HG21 THR A 102 -4.795 -0.118 2.671 1.00 0.12 H new ATOM 0 HG22 THR A 102 -3.651 1.184 2.270 1.00 0.12 H new ATOM 0 HG23 THR A 102 -4.577 1.250 3.788 1.00 0.12 H new ATOM 705 N MET A 103 -3.337 4.343 2.202 1.00 0.10 N ATOM 706 CA MET A 103 -2.034 4.753 1.704 1.00 0.10 C ATOM 707 C MET A 103 -0.966 3.740 2.086 1.00 0.10 C ATOM 708 O MET A 103 -0.641 3.582 3.261 1.00 0.13 O ATOM 709 CB MET A 103 -1.663 6.132 2.239 1.00 0.12 C ATOM 710 CG MET A 103 -2.082 7.279 1.331 1.00 0.20 C ATOM 711 SD MET A 103 -1.945 8.884 2.147 1.00 1.26 S ATOM 712 CE MET A 103 -2.567 9.973 0.867 1.00 1.19 C ATOM 0 H MET A 103 -3.569 4.701 3.128 1.00 0.10 H new ATOM 0 HA MET A 103 -2.091 4.803 0.617 1.00 0.10 H new ATOM 0 HB2 MET A 103 -2.125 6.268 3.217 1.00 0.12 H new ATOM 0 HB3 MET A 103 -0.584 6.175 2.388 1.00 0.12 H new ATOM 0 HG2 MET A 103 -1.462 7.275 0.435 1.00 0.20 H new ATOM 0 HG3 MET A 103 -3.111 7.125 1.007 1.00 0.20 H new ATOM 0 HE1 MET A 103 -1.742 10.546 0.444 1.00 1.19 H new ATOM 0 HE2 MET A 103 -3.037 9.381 0.082 1.00 1.19 H new ATOM 0 HE3 MET A 103 -3.301 10.656 1.295 1.00 1.19 H new ATOM 722 N ILE A 104 -0.432 3.038 1.100 1.00 0.08 N ATOM 723 CA ILE A 104 0.638 2.088 1.356 1.00 0.08 C ATOM 724 C ILE A 104 1.982 2.722 1.101 1.00 0.08 C ATOM 725 O ILE A 104 2.273 3.157 -0.005 1.00 0.12 O ATOM 726 CB ILE A 104 0.528 0.800 0.514 1.00 0.08 C ATOM 727 CG1 ILE A 104 -0.569 -0.101 1.072 1.00 0.10 C ATOM 728 CG2 ILE A 104 1.864 0.050 0.470 1.00 0.10 C ATOM 729 CD1 ILE A 104 -1.954 0.283 0.621 1.00 0.10 C ATOM 0 H ILE A 104 -0.719 3.107 0.123 1.00 0.08 H new ATOM 0 HA ILE A 104 0.539 1.807 2.404 1.00 0.08 H new ATOM 0 HB ILE A 104 0.269 1.083 -0.506 1.00 0.08 H new ATOM 0 HG12 ILE A 104 -0.370 -1.130 0.771 1.00 0.10 H new ATOM 0 HG13 ILE A 104 -0.530 -0.074 2.161 1.00 0.10 H new ATOM 0 HG21 ILE A 104 1.755 -0.853 -0.131 1.00 0.10 H new ATOM 0 HG22 ILE A 104 2.626 0.691 0.027 1.00 0.10 H new ATOM 0 HG23 ILE A 104 2.162 -0.222 1.483 1.00 0.10 H new ATOM 0 HD11 ILE A 104 -2.682 -0.402 1.057 1.00 0.10 H new ATOM 0 HD12 ILE A 104 -2.173 1.300 0.945 1.00 0.10 H new ATOM 0 HD13 ILE A 104 -2.011 0.228 -0.466 1.00 0.10 H new ATOM 741 N GLU A 105 2.788 2.769 2.132 1.00 0.09 N ATOM 742 CA GLU A 105 4.131 3.277 2.019 1.00 0.10 C ATOM 743 C GLU A 105 5.111 2.111 1.898 1.00 0.10 C ATOM 744 O GLU A 105 5.136 1.241 2.753 1.00 0.13 O ATOM 745 CB GLU A 105 4.438 4.153 3.232 1.00 0.13 C ATOM 746 CG GLU A 105 4.514 5.629 2.896 1.00 0.19 C ATOM 747 CD GLU A 105 4.407 6.523 4.113 1.00 0.35 C ATOM 748 OE1 GLU A 105 3.303 6.614 4.690 1.00 0.48 O ATOM 749 OE2 GLU A 105 5.415 7.159 4.490 1.00 0.45 O ATOM 0 H GLU A 105 2.533 2.458 3.069 1.00 0.09 H new ATOM 0 HA GLU A 105 4.233 3.889 1.123 1.00 0.10 H new ATOM 0 HB2 GLU A 105 3.669 3.998 3.989 1.00 0.13 H new ATOM 0 HB3 GLU A 105 5.385 3.837 3.670 1.00 0.13 H new ATOM 0 HG2 GLU A 105 5.456 5.831 2.386 1.00 0.19 H new ATOM 0 HG3 GLU A 105 3.714 5.878 2.199 1.00 0.19 H new ATOM 756 N LEU A 106 5.865 2.076 0.805 1.00 0.12 N ATOM 757 CA LEU A 106 6.853 1.028 0.556 1.00 0.12 C ATOM 758 C LEU A 106 8.122 1.622 -0.022 1.00 0.16 C ATOM 759 O LEU A 106 8.088 2.323 -1.029 1.00 0.19 O ATOM 760 CB LEU A 106 6.290 -0.024 -0.407 1.00 0.12 C ATOM 761 CG LEU A 106 7.301 -1.068 -0.917 1.00 0.14 C ATOM 762 CD1 LEU A 106 6.586 -2.337 -1.308 1.00 0.17 C ATOM 763 CD2 LEU A 106 8.084 -0.561 -2.126 1.00 0.16 C ATOM 0 H LEU A 106 5.810 2.774 0.064 1.00 0.12 H new ATOM 0 HA LEU A 106 7.086 0.549 1.507 1.00 0.12 H new ATOM 0 HB2 LEU A 106 5.474 -0.548 0.092 1.00 0.12 H new ATOM 0 HB3 LEU A 106 5.860 0.490 -1.267 1.00 0.12 H new ATOM 0 HG LEU A 106 8.000 -1.259 -0.103 1.00 0.14 H new ATOM 0 HD11 LEU A 106 7.311 -3.067 -1.667 1.00 0.17 H new ATOM 0 HD12 LEU A 106 6.062 -2.741 -0.442 1.00 0.17 H new ATOM 0 HD13 LEU A 106 5.867 -2.121 -2.098 1.00 0.17 H new ATOM 0 HD21 LEU A 106 8.785 -1.328 -2.453 1.00 0.16 H new ATOM 0 HD22 LEU A 106 7.393 -0.332 -2.937 1.00 0.16 H new ATOM 0 HD23 LEU A 106 8.633 0.340 -1.852 1.00 0.16 H new ATOM 775 N PRO A 107 9.266 1.332 0.585 1.00 0.17 N ATOM 776 CA PRO A 107 10.543 1.854 0.130 1.00 0.21 C ATOM 777 C PRO A 107 11.105 1.084 -1.051 1.00 0.25 C ATOM 778 O PRO A 107 10.824 -0.090 -1.239 1.00 0.20 O ATOM 779 CB PRO A 107 11.436 1.651 1.331 1.00 0.23 C ATOM 780 CG PRO A 107 10.904 0.417 1.968 1.00 0.21 C ATOM 781 CD PRO A 107 9.416 0.452 1.755 1.00 0.17 C ATOM 0 HA PRO A 107 10.458 2.886 -0.210 1.00 0.21 H new ATOM 0 HB2 PRO A 107 12.479 1.531 1.038 1.00 0.23 H new ATOM 0 HB3 PRO A 107 11.392 2.502 2.010 1.00 0.23 H new ATOM 0 HG2 PRO A 107 11.342 -0.474 1.519 1.00 0.21 H new ATOM 0 HG3 PRO A 107 11.146 0.390 3.030 1.00 0.21 H new ATOM 0 HD2 PRO A 107 9.013 -0.543 1.565 1.00 0.17 H new ATOM 0 HD3 PRO A 107 8.893 0.847 2.626 1.00 0.17 H new ATOM 789 N LYS A 108 11.939 1.736 -1.821 1.00 0.40 N ATOM 790 CA LYS A 108 12.572 1.096 -2.957 1.00 0.47 C ATOM 791 C LYS A 108 13.736 0.247 -2.487 1.00 0.50 C ATOM 792 O LYS A 108 14.436 -0.390 -3.276 1.00 0.59 O ATOM 793 CB LYS A 108 13.012 2.173 -3.919 1.00 0.62 C ATOM 794 CG LYS A 108 11.836 3.020 -4.346 1.00 0.69 C ATOM 795 CD LYS A 108 12.260 4.408 -4.779 1.00 0.99 C ATOM 796 CE LYS A 108 11.052 5.266 -5.079 1.00 0.68 C ATOM 797 NZ LYS A 108 10.291 4.761 -6.254 1.00 1.10 N ATOM 0 H LYS A 108 12.199 2.713 -1.685 1.00 0.40 H new ATOM 0 HA LYS A 108 11.876 0.431 -3.468 1.00 0.47 H new ATOM 0 HB2 LYS A 108 13.768 2.802 -3.448 1.00 0.62 H new ATOM 0 HB3 LYS A 108 13.476 1.718 -4.794 1.00 0.62 H new ATOM 0 HG2 LYS A 108 11.315 2.528 -5.167 1.00 0.69 H new ATOM 0 HG3 LYS A 108 11.128 3.099 -3.521 1.00 0.69 H new ATOM 0 HD2 LYS A 108 12.857 4.873 -3.994 1.00 0.99 H new ATOM 0 HD3 LYS A 108 12.893 4.341 -5.664 1.00 0.99 H new ATOM 0 HE2 LYS A 108 10.399 5.291 -4.207 1.00 0.68 H new ATOM 0 HE3 LYS A 108 11.372 6.291 -5.267 1.00 0.68 H new ATOM 0 HZ1 LYS A 108 9.564 5.455 -6.521 1.00 1.10 H new ATOM 0 HZ2 LYS A 108 10.941 4.616 -7.053 1.00 1.10 H new ATOM 0 HZ3 LYS A 108 9.835 3.858 -6.011 1.00 1.10 H new ATOM 811 N THR A 109 13.912 0.242 -1.178 1.00 0.47 N ATOM 812 CA THR A 109 14.915 -0.569 -0.535 1.00 0.53 C ATOM 813 C THR A 109 14.386 -1.982 -0.306 1.00 0.46 C ATOM 814 O THR A 109 15.133 -2.879 0.084 1.00 0.53 O ATOM 815 CB THR A 109 15.342 0.071 0.796 1.00 0.62 C ATOM 816 OG1 THR A 109 14.208 0.205 1.664 1.00 0.61 O ATOM 817 CG2 THR A 109 15.943 1.444 0.544 1.00 0.72 C ATOM 0 H THR A 109 13.358 0.805 -0.533 1.00 0.47 H new ATOM 0 HA THR A 109 15.788 -0.630 -1.185 1.00 0.53 H new ATOM 0 HB THR A 109 16.086 -0.571 1.268 1.00 0.62 H new ATOM 0 HG1 THR A 109 14.490 0.612 2.510 1.00 0.61 H new ATOM 0 HG21 THR A 109 16.243 1.890 1.493 1.00 0.72 H new ATOM 0 HG22 THR A 109 16.815 1.346 -0.103 1.00 0.72 H new ATOM 0 HG23 THR A 109 15.203 2.082 0.061 1.00 0.72 H new ATOM 825 N VAL A 110 13.086 -2.178 -0.551 1.00 0.34 N ATOM 826 CA VAL A 110 12.513 -3.516 -0.519 1.00 0.28 C ATOM 827 C VAL A 110 13.015 -4.314 -1.712 1.00 0.25 C ATOM 828 O VAL A 110 13.508 -3.740 -2.693 1.00 0.28 O ATOM 829 CB VAL A 110 10.963 -3.533 -0.549 1.00 0.21 C ATOM 830 CG1 VAL A 110 10.369 -2.507 0.391 1.00 0.21 C ATOM 831 CG2 VAL A 110 10.435 -3.331 -1.951 1.00 0.17 C ATOM 0 H VAL A 110 12.423 -1.434 -0.770 1.00 0.34 H new ATOM 0 HA VAL A 110 12.829 -3.955 0.427 1.00 0.28 H new ATOM 0 HB VAL A 110 10.654 -4.520 -0.205 1.00 0.21 H new ATOM 0 HG11 VAL A 110 9.281 -2.553 0.339 1.00 0.21 H new ATOM 0 HG12 VAL A 110 10.693 -2.717 1.410 1.00 0.21 H new ATOM 0 HG13 VAL A 110 10.705 -1.511 0.102 1.00 0.21 H new ATOM 0 HG21 VAL A 110 9.345 -3.348 -1.935 1.00 0.17 H new ATOM 0 HG22 VAL A 110 10.777 -2.369 -2.334 1.00 0.17 H new ATOM 0 HG23 VAL A 110 10.801 -4.129 -2.596 1.00 0.17 H new ATOM 841 N SER A 111 12.914 -5.625 -1.627 1.00 0.24 N ATOM 842 CA SER A 111 13.199 -6.468 -2.766 1.00 0.22 C ATOM 843 C SER A 111 12.169 -6.200 -3.860 1.00 0.17 C ATOM 844 O SER A 111 11.031 -5.846 -3.563 1.00 0.18 O ATOM 845 CB SER A 111 13.163 -7.930 -2.338 1.00 0.27 C ATOM 846 OG SER A 111 14.100 -8.170 -1.300 1.00 0.96 O ATOM 0 H SER A 111 12.637 -6.127 -0.783 1.00 0.24 H new ATOM 0 HA SER A 111 14.192 -6.246 -3.156 1.00 0.22 H new ATOM 0 HB2 SER A 111 12.161 -8.190 -1.998 1.00 0.27 H new ATOM 0 HB3 SER A 111 13.386 -8.570 -3.192 1.00 0.27 H new ATOM 0 HG SER A 111 14.062 -9.113 -1.037 1.00 0.96 H new ATOM 852 N GLU A 112 12.567 -6.349 -5.116 1.00 0.21 N ATOM 853 CA GLU A 112 11.657 -6.120 -6.238 1.00 0.26 C ATOM 854 C GLU A 112 10.398 -6.964 -6.070 1.00 0.24 C ATOM 855 O GLU A 112 9.305 -6.549 -6.451 1.00 0.28 O ATOM 856 CB GLU A 112 12.346 -6.463 -7.560 1.00 0.35 C ATOM 857 CG GLU A 112 11.525 -6.102 -8.785 1.00 0.46 C ATOM 858 CD GLU A 112 12.091 -6.698 -10.053 1.00 0.63 C ATOM 859 OE1 GLU A 112 13.091 -6.163 -10.576 1.00 1.03 O ATOM 860 OE2 GLU A 112 11.540 -7.708 -10.531 1.00 0.80 O ATOM 0 H GLU A 112 13.510 -6.627 -5.387 1.00 0.21 H new ATOM 0 HA GLU A 112 11.378 -5.066 -6.253 1.00 0.26 H new ATOM 0 HB2 GLU A 112 13.302 -5.942 -7.607 1.00 0.35 H new ATOM 0 HB3 GLU A 112 12.563 -7.531 -7.580 1.00 0.35 H new ATOM 0 HG2 GLU A 112 10.501 -6.450 -8.648 1.00 0.46 H new ATOM 0 HG3 GLU A 112 11.482 -5.017 -8.884 1.00 0.46 H new ATOM 867 N HIS A 113 10.571 -8.146 -5.487 1.00 0.23 N ATOM 868 CA HIS A 113 9.450 -8.996 -5.101 1.00 0.27 C ATOM 869 C HIS A 113 8.466 -8.218 -4.241 1.00 0.25 C ATOM 870 O HIS A 113 7.295 -8.092 -4.577 1.00 0.41 O ATOM 871 CB HIS A 113 9.946 -10.201 -4.303 1.00 0.32 C ATOM 872 CG HIS A 113 10.541 -11.301 -5.130 1.00 0.40 C ATOM 873 ND1 HIS A 113 10.582 -12.612 -4.712 1.00 0.71 N ATOM 874 CD2 HIS A 113 11.125 -11.281 -6.351 1.00 0.46 C ATOM 875 CE1 HIS A 113 11.167 -13.349 -5.636 1.00 0.73 C ATOM 876 NE2 HIS A 113 11.504 -12.565 -6.643 1.00 0.55 N ATOM 0 H HIS A 113 11.486 -8.540 -5.270 1.00 0.23 H new ATOM 0 HA HIS A 113 8.956 -9.334 -6.012 1.00 0.27 H new ATOM 0 HB2 HIS A 113 10.692 -9.861 -3.585 1.00 0.32 H new ATOM 0 HB3 HIS A 113 9.113 -10.607 -3.729 1.00 0.32 H new ATOM 0 HD2 HIS A 113 11.266 -10.414 -6.979 1.00 0.46 H new ATOM 0 HE1 HIS A 113 11.341 -14.413 -5.579 1.00 0.73 H new ATOM 0 HE2 HIS A 113 11.970 -12.866 -7.499 1.00 0.55 H new ATOM 885 N ASP A 114 8.968 -7.673 -3.145 1.00 0.23 N ATOM 886 CA ASP A 114 8.138 -6.968 -2.177 1.00 0.26 C ATOM 887 C ASP A 114 7.587 -5.688 -2.765 1.00 0.25 C ATOM 888 O ASP A 114 6.499 -5.252 -2.414 1.00 0.33 O ATOM 889 CB ASP A 114 8.937 -6.663 -0.906 1.00 0.31 C ATOM 890 CG ASP A 114 9.377 -7.924 -0.192 1.00 1.20 C ATOM 891 OD1 ASP A 114 8.536 -8.543 0.494 1.00 1.13 O ATOM 892 OD2 ASP A 114 10.566 -8.293 -0.294 1.00 2.05 O ATOM 0 H ASP A 114 9.958 -7.705 -2.900 1.00 0.23 H new ATOM 0 HA ASP A 114 7.300 -7.615 -1.919 1.00 0.26 H new ATOM 0 HB2 ASP A 114 9.813 -6.068 -1.164 1.00 0.31 H new ATOM 0 HB3 ASP A 114 8.329 -6.059 -0.232 1.00 0.31 H new ATOM 897 N MET A 115 8.334 -5.090 -3.663 1.00 0.23 N ATOM 898 CA MET A 115 7.890 -3.872 -4.300 1.00 0.23 C ATOM 899 C MET A 115 6.785 -4.167 -5.300 1.00 0.24 C ATOM 900 O MET A 115 5.654 -3.737 -5.131 1.00 0.47 O ATOM 901 CB MET A 115 9.061 -3.170 -4.989 1.00 0.20 C ATOM 902 CG MET A 115 8.679 -1.862 -5.664 1.00 0.22 C ATOM 903 SD MET A 115 10.049 -1.116 -6.573 1.00 0.22 S ATOM 904 CE MET A 115 10.322 -2.344 -7.849 1.00 1.62 C ATOM 0 H MET A 115 9.248 -5.425 -3.968 1.00 0.23 H new ATOM 0 HA MET A 115 7.493 -3.207 -3.533 1.00 0.23 H new ATOM 0 HB2 MET A 115 9.840 -2.974 -4.252 1.00 0.20 H new ATOM 0 HB3 MET A 115 9.488 -3.842 -5.734 1.00 0.20 H new ATOM 0 HG2 MET A 115 7.850 -2.041 -6.348 1.00 0.22 H new ATOM 0 HG3 MET A 115 8.324 -1.160 -4.910 1.00 0.22 H new ATOM 0 HE1 MET A 115 10.444 -1.847 -8.812 1.00 1.62 H new ATOM 0 HE2 MET A 115 11.221 -2.915 -7.618 1.00 1.62 H new ATOM 0 HE3 MET A 115 9.466 -3.018 -7.895 1.00 1.62 H new ATOM 914 N ASP A 116 7.105 -4.944 -6.315 1.00 0.15 N ATOM 915 CA ASP A 116 6.166 -5.192 -7.396 1.00 0.18 C ATOM 916 C ASP A 116 5.008 -6.056 -6.931 1.00 0.19 C ATOM 917 O ASP A 116 3.849 -5.670 -7.048 1.00 0.24 O ATOM 918 CB ASP A 116 6.874 -5.868 -8.564 1.00 0.23 C ATOM 919 CG ASP A 116 6.013 -5.919 -9.808 1.00 0.42 C ATOM 920 OD1 ASP A 116 5.904 -4.889 -10.507 1.00 0.61 O ATOM 921 OD2 ASP A 116 5.439 -6.992 -10.092 1.00 0.64 O ATOM 0 H ASP A 116 8.004 -5.414 -6.416 1.00 0.15 H new ATOM 0 HA ASP A 116 5.769 -4.230 -7.720 1.00 0.18 H new ATOM 0 HB2 ASP A 116 7.797 -5.332 -8.786 1.00 0.23 H new ATOM 0 HB3 ASP A 116 7.155 -6.882 -8.278 1.00 0.23 H new ATOM 926 N GLN A 117 5.337 -7.205 -6.369 1.00 0.17 N ATOM 927 CA GLN A 117 4.340 -8.216 -6.037 1.00 0.18 C ATOM 928 C GLN A 117 3.450 -7.807 -4.856 1.00 0.15 C ATOM 929 O GLN A 117 2.277 -8.173 -4.818 1.00 0.17 O ATOM 930 CB GLN A 117 5.011 -9.559 -5.748 1.00 0.23 C ATOM 931 CG GLN A 117 5.814 -10.108 -6.920 1.00 0.96 C ATOM 932 CD GLN A 117 6.460 -11.444 -6.610 1.00 1.67 C ATOM 933 OE1 GLN A 117 5.946 -12.225 -5.809 1.00 2.42 O ATOM 934 NE2 GLN A 117 7.593 -11.721 -7.239 1.00 2.30 N ATOM 0 H GLN A 117 6.294 -7.466 -6.130 1.00 0.17 H new ATOM 0 HA GLN A 117 3.693 -8.313 -6.909 1.00 0.18 H new ATOM 0 HB2 GLN A 117 5.671 -9.448 -4.888 1.00 0.23 H new ATOM 0 HB3 GLN A 117 4.246 -10.285 -5.471 1.00 0.23 H new ATOM 0 HG2 GLN A 117 5.159 -10.217 -7.785 1.00 0.96 H new ATOM 0 HG3 GLN A 117 6.587 -9.390 -7.194 1.00 0.96 H new ATOM 0 HE21 GLN A 117 7.989 -11.049 -7.896 1.00 2.30 H new ATOM 0 HE22 GLN A 117 8.069 -12.606 -7.066 1.00 2.30 H new ATOM 943 N LEU A 118 3.986 -7.054 -3.896 1.00 0.14 N ATOM 944 CA LEU A 118 3.178 -6.647 -2.744 1.00 0.13 C ATOM 945 C LEU A 118 2.322 -5.433 -3.066 1.00 0.12 C ATOM 946 O LEU A 118 1.182 -5.338 -2.622 1.00 0.13 O ATOM 947 CB LEU A 118 4.026 -6.380 -1.508 1.00 0.12 C ATOM 948 CG LEU A 118 4.557 -7.640 -0.818 1.00 0.15 C ATOM 949 CD1 LEU A 118 5.512 -7.271 0.299 1.00 0.18 C ATOM 950 CD2 LEU A 118 3.416 -8.487 -0.266 1.00 0.16 C ATOM 0 H LEU A 118 4.950 -6.720 -3.889 1.00 0.14 H new ATOM 0 HA LEU A 118 2.520 -7.487 -2.519 1.00 0.13 H new ATOM 0 HB2 LEU A 118 4.871 -5.753 -1.791 1.00 0.12 H new ATOM 0 HB3 LEU A 118 3.433 -5.811 -0.792 1.00 0.12 H new ATOM 0 HG LEU A 118 5.092 -8.227 -1.564 1.00 0.15 H new ATOM 0 HD11 LEU A 118 5.879 -8.178 0.778 1.00 0.18 H new ATOM 0 HD12 LEU A 118 6.353 -6.711 -0.111 1.00 0.18 H new ATOM 0 HD13 LEU A 118 4.992 -6.657 1.035 1.00 0.18 H new ATOM 0 HD21 LEU A 118 3.823 -9.375 0.218 1.00 0.16 H new ATOM 0 HD22 LEU A 118 2.849 -7.905 0.461 1.00 0.16 H new ATOM 0 HD23 LEU A 118 2.759 -8.788 -1.082 1.00 0.16 H new ATOM 962 N LEU A 119 2.859 -4.503 -3.842 1.00 0.13 N ATOM 963 CA LEU A 119 2.047 -3.386 -4.323 1.00 0.13 C ATOM 964 C LEU A 119 1.057 -3.888 -5.364 1.00 0.13 C ATOM 965 O LEU A 119 0.085 -3.216 -5.701 1.00 0.14 O ATOM 966 CB LEU A 119 2.918 -2.267 -4.904 1.00 0.14 C ATOM 967 CG LEU A 119 4.025 -1.758 -3.973 1.00 0.11 C ATOM 968 CD1 LEU A 119 4.720 -0.541 -4.566 1.00 0.12 C ATOM 969 CD2 LEU A 119 3.481 -1.461 -2.581 1.00 0.17 C ATOM 0 H LEU A 119 3.832 -4.494 -4.149 1.00 0.13 H new ATOM 0 HA LEU A 119 1.502 -2.967 -3.477 1.00 0.13 H new ATOM 0 HB2 LEU A 119 3.376 -2.625 -5.826 1.00 0.14 H new ATOM 0 HB3 LEU A 119 2.275 -1.429 -5.172 1.00 0.14 H new ATOM 0 HG LEU A 119 4.768 -2.549 -3.874 1.00 0.11 H new ATOM 0 HD11 LEU A 119 5.501 -0.200 -3.886 1.00 0.12 H new ATOM 0 HD12 LEU A 119 5.165 -0.807 -5.525 1.00 0.12 H new ATOM 0 HD13 LEU A 119 3.993 0.258 -4.713 1.00 0.12 H new ATOM 0 HD21 LEU A 119 4.289 -1.102 -1.944 1.00 0.17 H new ATOM 0 HD22 LEU A 119 2.706 -0.698 -2.649 1.00 0.17 H new ATOM 0 HD23 LEU A 119 3.059 -2.370 -2.154 1.00 0.17 H new ATOM 981 N HIS A 120 1.316 -5.081 -5.865 1.00 0.13 N ATOM 982 CA HIS A 120 0.400 -5.754 -6.763 1.00 0.13 C ATOM 983 C HIS A 120 -0.599 -6.577 -5.962 1.00 0.13 C ATOM 984 O HIS A 120 -1.685 -6.874 -6.444 1.00 0.14 O ATOM 985 CB HIS A 120 1.174 -6.655 -7.707 1.00 0.14 C ATOM 986 CG HIS A 120 0.396 -7.147 -8.893 1.00 0.21 C ATOM 987 ND1 HIS A 120 0.608 -6.687 -10.174 1.00 0.30 N ATOM 988 CD2 HIS A 120 -0.589 -8.069 -8.988 1.00 0.25 C ATOM 989 CE1 HIS A 120 -0.213 -7.305 -11.003 1.00 0.37 C ATOM 990 NE2 HIS A 120 -0.950 -8.149 -10.309 1.00 0.34 N ATOM 0 H HIS A 120 2.165 -5.609 -5.661 1.00 0.13 H new ATOM 0 HA HIS A 120 -0.141 -5.009 -7.346 1.00 0.13 H new ATOM 0 HB2 HIS A 120 2.050 -6.114 -8.065 1.00 0.14 H new ATOM 0 HB3 HIS A 120 1.538 -7.516 -7.147 1.00 0.14 H new ATOM 0 HD2 HIS A 120 -1.013 -8.638 -8.174 1.00 0.25 H new ATOM 0 HE1 HIS A 120 -0.271 -7.146 -12.070 1.00 0.37 H new ATOM 0 HE2 HIS A 120 -1.671 -8.761 -10.691 1.00 0.34 H new ATOM 999 N ASP A 121 -0.224 -6.942 -4.735 1.00 0.12 N ATOM 1000 CA ASP A 121 -1.145 -7.633 -3.828 1.00 0.12 C ATOM 1001 C ASP A 121 -2.294 -6.696 -3.563 1.00 0.11 C ATOM 1002 O ASP A 121 -3.438 -7.098 -3.354 1.00 0.13 O ATOM 1003 CB ASP A 121 -0.465 -7.989 -2.502 1.00 0.14 C ATOM 1004 CG ASP A 121 -1.204 -9.067 -1.738 1.00 0.23 C ATOM 1005 OD1 ASP A 121 -1.054 -10.259 -2.093 1.00 0.42 O ATOM 1006 OD2 ASP A 121 -1.912 -8.736 -0.772 1.00 0.42 O ATOM 0 H ASP A 121 0.704 -6.773 -4.347 1.00 0.12 H new ATOM 0 HA ASP A 121 -1.479 -8.564 -4.285 1.00 0.12 H new ATOM 0 HB2 ASP A 121 0.554 -8.322 -2.699 1.00 0.14 H new ATOM 0 HB3 ASP A 121 -0.394 -7.095 -1.883 1.00 0.14 H new ATOM 1011 N ILE A 122 -1.945 -5.420 -3.599 1.00 0.10 N ATOM 1012 CA ILE A 122 -2.902 -4.346 -3.554 1.00 0.10 C ATOM 1013 C ILE A 122 -3.922 -4.509 -4.669 1.00 0.10 C ATOM 1014 O ILE A 122 -5.128 -4.542 -4.431 1.00 0.11 O ATOM 1015 CB ILE A 122 -2.186 -2.989 -3.691 1.00 0.10 C ATOM 1016 CG1 ILE A 122 -1.128 -2.875 -2.599 1.00 0.10 C ATOM 1017 CG2 ILE A 122 -3.184 -1.844 -3.631 1.00 0.11 C ATOM 1018 CD1 ILE A 122 -0.435 -1.536 -2.532 1.00 0.10 C ATOM 0 H ILE A 122 -0.977 -5.106 -3.661 1.00 0.10 H new ATOM 0 HA ILE A 122 -3.418 -4.377 -2.594 1.00 0.10 H new ATOM 0 HB ILE A 122 -1.695 -2.928 -4.662 1.00 0.10 H new ATOM 0 HG12 ILE A 122 -1.596 -3.075 -1.635 1.00 0.10 H new ATOM 0 HG13 ILE A 122 -0.378 -3.650 -2.756 1.00 0.10 H new ATOM 0 HG21 ILE A 122 -2.656 -0.896 -3.730 1.00 0.11 H new ATOM 0 HG22 ILE A 122 -3.903 -1.945 -4.444 1.00 0.11 H new ATOM 0 HG23 ILE A 122 -3.709 -1.869 -2.676 1.00 0.11 H new ATOM 0 HD11 ILE A 122 0.300 -1.547 -1.727 1.00 0.10 H new ATOM 0 HD12 ILE A 122 0.067 -1.338 -3.479 1.00 0.10 H new ATOM 0 HD13 ILE A 122 -1.171 -0.755 -2.341 1.00 0.10 H new ATOM 1030 N LEU A 123 -3.416 -4.653 -5.880 1.00 0.11 N ATOM 1031 CA LEU A 123 -4.261 -4.820 -7.055 1.00 0.12 C ATOM 1032 C LEU A 123 -4.958 -6.173 -7.055 1.00 0.13 C ATOM 1033 O LEU A 123 -6.030 -6.325 -7.637 1.00 0.14 O ATOM 1034 CB LEU A 123 -3.434 -4.669 -8.331 1.00 0.14 C ATOM 1035 CG LEU A 123 -3.251 -3.239 -8.840 1.00 0.15 C ATOM 1036 CD1 LEU A 123 -2.493 -2.398 -7.827 1.00 0.16 C ATOM 1037 CD2 LEU A 123 -2.530 -3.245 -10.175 1.00 0.20 C ATOM 0 H LEU A 123 -2.416 -4.658 -6.079 1.00 0.11 H new ATOM 0 HA LEU A 123 -5.024 -4.043 -7.022 1.00 0.12 H new ATOM 0 HB2 LEU A 123 -2.449 -5.101 -8.156 1.00 0.14 H new ATOM 0 HB3 LEU A 123 -3.905 -5.257 -9.118 1.00 0.14 H new ATOM 0 HG LEU A 123 -4.236 -2.794 -8.978 1.00 0.15 H new ATOM 0 HD11 LEU A 123 -2.375 -1.385 -8.211 1.00 0.16 H new ATOM 0 HD12 LEU A 123 -3.049 -2.368 -6.890 1.00 0.16 H new ATOM 0 HD13 LEU A 123 -1.511 -2.837 -7.652 1.00 0.16 H new ATOM 0 HD21 LEU A 123 -2.406 -2.221 -10.526 1.00 0.20 H new ATOM 0 HD22 LEU A 123 -1.551 -3.709 -10.058 1.00 0.20 H new ATOM 0 HD23 LEU A 123 -3.114 -3.810 -10.902 1.00 0.20 H new ATOM 1049 N ALA A 124 -4.342 -7.150 -6.405 1.00 0.14 N ATOM 1050 CA ALA A 124 -4.930 -8.476 -6.253 1.00 0.16 C ATOM 1051 C ALA A 124 -6.215 -8.394 -5.442 1.00 0.17 C ATOM 1052 O ALA A 124 -7.071 -9.275 -5.502 1.00 0.23 O ATOM 1053 CB ALA A 124 -3.941 -9.406 -5.574 1.00 0.17 C ATOM 0 H ALA A 124 -3.425 -7.048 -5.970 1.00 0.14 H new ATOM 0 HA ALA A 124 -5.167 -8.871 -7.241 1.00 0.16 H new ATOM 0 HB1 ALA A 124 -4.387 -10.394 -5.464 1.00 0.17 H new ATOM 0 HB2 ALA A 124 -3.038 -9.481 -6.179 1.00 0.17 H new ATOM 0 HB3 ALA A 124 -3.687 -9.011 -4.590 1.00 0.17 H new ATOM 1059 N ALA A 125 -6.333 -7.312 -4.693 1.00 0.13 N ATOM 1060 CA ALA A 125 -7.489 -7.065 -3.862 1.00 0.14 C ATOM 1061 C ALA A 125 -8.420 -6.091 -4.554 1.00 0.14 C ATOM 1062 O ALA A 125 -9.438 -5.674 -4.007 1.00 0.20 O ATOM 1063 CB ALA A 125 -7.041 -6.507 -2.529 1.00 0.15 C ATOM 0 H ALA A 125 -5.625 -6.579 -4.647 1.00 0.13 H new ATOM 0 HA ALA A 125 -8.024 -8.000 -3.694 1.00 0.14 H new ATOM 0 HB1 ALA A 125 -7.912 -6.320 -1.901 1.00 0.15 H new ATOM 0 HB2 ALA A 125 -6.386 -7.225 -2.036 1.00 0.15 H new ATOM 0 HB3 ALA A 125 -6.502 -5.573 -2.688 1.00 0.15 H new ATOM 1069 N GLY A 126 -8.038 -5.713 -5.763 1.00 0.13 N ATOM 1070 CA GLY A 126 -8.780 -4.726 -6.504 1.00 0.16 C ATOM 1071 C GLY A 126 -8.258 -3.341 -6.225 1.00 0.15 C ATOM 1072 O GLY A 126 -8.561 -2.394 -6.951 1.00 0.21 O ATOM 0 H GLY A 126 -7.217 -6.079 -6.246 1.00 0.13 H new ATOM 0 HA2 GLY A 126 -8.710 -4.938 -7.571 1.00 0.16 H new ATOM 0 HA3 GLY A 126 -9.835 -4.782 -6.237 1.00 0.16 H new ATOM 1076 N GLY A 127 -7.447 -3.247 -5.175 1.00 0.15 N ATOM 1077 CA GLY A 127 -6.885 -1.989 -4.736 1.00 0.16 C ATOM 1078 C GLY A 127 -6.174 -1.249 -5.845 1.00 0.19 C ATOM 1079 O GLY A 127 -5.462 -1.847 -6.652 1.00 0.35 O ATOM 0 H GLY A 127 -7.165 -4.047 -4.609 1.00 0.15 H new ATOM 0 HA2 GLY A 127 -7.681 -1.360 -4.337 1.00 0.16 H new ATOM 0 HA3 GLY A 127 -6.185 -2.173 -3.921 1.00 0.16 H new ATOM 1083 N VAL A 128 -6.386 0.050 -5.894 1.00 0.16 N ATOM 1084 CA VAL A 128 -5.788 0.885 -6.916 1.00 0.22 C ATOM 1085 C VAL A 128 -4.664 1.724 -6.330 1.00 0.18 C ATOM 1086 O VAL A 128 -4.812 2.307 -5.264 1.00 0.36 O ATOM 1087 CB VAL A 128 -6.843 1.790 -7.570 1.00 0.40 C ATOM 1088 CG1 VAL A 128 -7.814 0.956 -8.392 1.00 1.05 C ATOM 1089 CG2 VAL A 128 -7.589 2.601 -6.521 1.00 0.64 C ATOM 0 H VAL A 128 -6.974 0.555 -5.231 1.00 0.16 H new ATOM 0 HA VAL A 128 -5.372 0.233 -7.684 1.00 0.22 H new ATOM 0 HB VAL A 128 -6.333 2.488 -8.234 1.00 0.40 H new ATOM 0 HG11 VAL A 128 -8.557 1.609 -8.850 1.00 1.05 H new ATOM 0 HG12 VAL A 128 -7.268 0.425 -9.171 1.00 1.05 H new ATOM 0 HG13 VAL A 128 -8.314 0.236 -7.744 1.00 1.05 H new ATOM 0 HG21 VAL A 128 -8.330 3.234 -7.009 1.00 0.64 H new ATOM 0 HG22 VAL A 128 -8.089 1.926 -5.827 1.00 0.64 H new ATOM 0 HG23 VAL A 128 -6.883 3.226 -5.974 1.00 0.64 H new ATOM 1099 N VAL A 129 -3.541 1.772 -7.024 1.00 0.21 N ATOM 1100 CA VAL A 129 -2.363 2.442 -6.503 1.00 0.20 C ATOM 1101 C VAL A 129 -2.158 3.813 -7.145 1.00 0.23 C ATOM 1102 O VAL A 129 -2.183 3.958 -8.370 1.00 0.32 O ATOM 1103 CB VAL A 129 -1.100 1.573 -6.691 1.00 0.24 C ATOM 1104 CG1 VAL A 129 -1.201 0.312 -5.846 1.00 0.21 C ATOM 1105 CG2 VAL A 129 -0.892 1.214 -8.157 1.00 0.31 C ATOM 0 H VAL A 129 -3.420 1.356 -7.947 1.00 0.21 H new ATOM 0 HA VAL A 129 -2.529 2.592 -5.436 1.00 0.20 H new ATOM 0 HB VAL A 129 -0.237 2.152 -6.362 1.00 0.24 H new ATOM 0 HG11 VAL A 129 -0.305 -0.293 -5.987 1.00 0.21 H new ATOM 0 HG12 VAL A 129 -1.293 0.585 -4.795 1.00 0.21 H new ATOM 0 HG13 VAL A 129 -2.077 -0.261 -6.150 1.00 0.21 H new ATOM 0 HG21 VAL A 129 0.004 0.602 -8.258 1.00 0.31 H new ATOM 0 HG22 VAL A 129 -1.755 0.656 -8.521 1.00 0.31 H new ATOM 0 HG23 VAL A 129 -0.776 2.126 -8.742 1.00 0.31 H new ATOM 1115 N GLY A 130 -1.987 4.817 -6.303 1.00 0.35 N ATOM 1116 CA GLY A 130 -1.688 6.151 -6.780 1.00 0.36 C ATOM 1117 C GLY A 130 -0.299 6.584 -6.366 1.00 0.44 C ATOM 1118 O GLY A 130 0.445 5.799 -5.788 1.00 0.85 O ATOM 0 H GLY A 130 -2.050 4.732 -5.289 1.00 0.35 H new ATOM 0 HA2 GLY A 130 -1.771 6.178 -7.866 1.00 0.36 H new ATOM 0 HA3 GLY A 130 -2.423 6.853 -6.386 1.00 0.36 H new ATOM 1122 N LEU A 131 0.057 7.824 -6.657 1.00 0.32 N ATOM 1123 CA LEU A 131 1.376 8.330 -6.306 1.00 0.33 C ATOM 1124 C LEU A 131 1.261 9.473 -5.308 1.00 0.32 C ATOM 1125 O LEU A 131 0.752 10.546 -5.631 1.00 0.45 O ATOM 1126 CB LEU A 131 2.145 8.807 -7.552 1.00 0.37 C ATOM 1127 CG LEU A 131 2.690 7.711 -8.485 1.00 0.46 C ATOM 1128 CD1 LEU A 131 3.495 6.681 -7.706 1.00 0.97 C ATOM 1129 CD2 LEU A 131 1.569 7.040 -9.266 1.00 1.17 C ATOM 0 H LEU A 131 -0.544 8.497 -7.133 1.00 0.32 H new ATOM 0 HA LEU A 131 1.931 7.509 -5.852 1.00 0.33 H new ATOM 0 HB2 LEU A 131 1.486 9.453 -8.133 1.00 0.37 H new ATOM 0 HB3 LEU A 131 2.983 9.421 -7.221 1.00 0.37 H new ATOM 0 HG LEU A 131 3.356 8.192 -9.202 1.00 0.46 H new ATOM 0 HD11 LEU A 131 3.868 5.918 -8.389 1.00 0.97 H new ATOM 0 HD12 LEU A 131 4.336 7.172 -7.216 1.00 0.97 H new ATOM 0 HD13 LEU A 131 2.858 6.214 -6.954 1.00 0.97 H new ATOM 0 HD21 LEU A 131 1.988 6.271 -9.915 1.00 1.17 H new ATOM 0 HD22 LEU A 131 0.864 6.584 -8.571 1.00 1.17 H new ATOM 0 HD23 LEU A 131 1.052 7.784 -9.872 1.00 1.17 H new ATOM 1141 N ASP A 132 1.705 9.222 -4.089 1.00 0.24 N ATOM 1142 CA ASP A 132 1.760 10.254 -3.062 1.00 0.23 C ATOM 1143 C ASP A 132 3.165 10.789 -2.940 1.00 0.39 C ATOM 1144 O ASP A 132 3.418 11.971 -3.177 1.00 0.90 O ATOM 1145 CB ASP A 132 1.295 9.712 -1.713 1.00 0.25 C ATOM 1146 CG ASP A 132 -0.183 9.416 -1.679 1.00 0.65 C ATOM 1147 OD1 ASP A 132 -0.982 10.325 -1.990 1.00 0.98 O ATOM 1148 OD2 ASP A 132 -0.547 8.279 -1.333 1.00 1.06 O ATOM 0 H ASP A 132 2.035 8.307 -3.782 1.00 0.24 H new ATOM 0 HA ASP A 132 1.089 11.061 -3.358 1.00 0.23 H new ATOM 0 HB2 ASP A 132 1.848 8.802 -1.482 1.00 0.25 H new ATOM 0 HB3 ASP A 132 1.534 10.436 -0.934 1.00 0.25 H new ATOM 1153 N SER A 133 4.084 9.914 -2.583 1.00 0.55 N ATOM 1154 CA SER A 133 5.456 10.317 -2.342 1.00 0.69 C ATOM 1155 C SER A 133 6.396 9.130 -2.452 1.00 0.56 C ATOM 1156 O SER A 133 6.294 8.185 -1.670 1.00 0.87 O ATOM 1157 CB SER A 133 5.564 10.920 -0.946 1.00 0.95 C ATOM 1158 OG SER A 133 4.717 12.050 -0.804 1.00 1.30 O ATOM 0 H SER A 133 3.906 8.918 -2.453 1.00 0.55 H new ATOM 0 HA SER A 133 5.740 11.054 -3.093 1.00 0.69 H new ATOM 0 HB2 SER A 133 5.299 10.169 -0.202 1.00 0.95 H new ATOM 0 HB3 SER A 133 6.597 11.210 -0.752 1.00 0.95 H new ATOM 0 HG SER A 133 4.806 12.414 0.101 1.00 1.30 H new ATOM 1164 N GLU A 134 7.302 9.167 -3.419 1.00 0.53 N ATOM 1165 CA GLU A 134 8.296 8.116 -3.545 1.00 0.56 C ATOM 1166 C GLU A 134 9.346 8.260 -2.449 1.00 0.58 C ATOM 1167 O GLU A 134 9.809 9.363 -2.185 1.00 1.01 O ATOM 1168 CB GLU A 134 8.927 8.113 -4.940 1.00 0.88 C ATOM 1169 CG GLU A 134 9.589 9.417 -5.344 1.00 0.95 C ATOM 1170 CD GLU A 134 10.232 9.320 -6.708 1.00 1.45 C ATOM 1171 OE1 GLU A 134 9.505 9.401 -7.718 1.00 1.80 O ATOM 1172 OE2 GLU A 134 11.466 9.133 -6.776 1.00 1.85 O ATOM 0 H GLU A 134 7.368 9.905 -4.119 1.00 0.53 H new ATOM 0 HA GLU A 134 7.804 7.151 -3.420 1.00 0.56 H new ATOM 0 HB2 GLU A 134 9.669 7.316 -4.985 1.00 0.88 H new ATOM 0 HB3 GLU A 134 8.156 7.872 -5.671 1.00 0.88 H new ATOM 0 HG2 GLU A 134 8.847 10.216 -5.348 1.00 0.95 H new ATOM 0 HG3 GLU A 134 10.343 9.686 -4.605 1.00 0.95 H new ATOM 1179 N VAL A 135 9.686 7.120 -1.828 1.00 0.43 N ATOM 1180 CA VAL A 135 10.525 7.039 -0.619 1.00 0.38 C ATOM 1181 C VAL A 135 10.455 8.296 0.244 1.00 0.42 C ATOM 1182 O VAL A 135 11.210 9.248 0.043 1.00 0.52 O ATOM 1183 CB VAL A 135 12.002 6.704 -0.932 1.00 0.46 C ATOM 1184 CG1 VAL A 135 12.183 5.200 -1.048 1.00 0.41 C ATOM 1185 CG2 VAL A 135 12.477 7.386 -2.205 1.00 0.62 C ATOM 0 H VAL A 135 9.378 6.206 -2.160 1.00 0.43 H new ATOM 0 HA VAL A 135 10.101 6.213 -0.048 1.00 0.38 H new ATOM 0 HB VAL A 135 12.608 7.080 -0.108 1.00 0.46 H new ATOM 0 HG11 VAL A 135 13.226 4.975 -1.269 1.00 0.41 H new ATOM 0 HG12 VAL A 135 11.900 4.726 -0.108 1.00 0.41 H new ATOM 0 HG13 VAL A 135 11.552 4.818 -1.851 1.00 0.41 H new ATOM 0 HG21 VAL A 135 13.519 7.126 -2.390 1.00 0.62 H new ATOM 0 HG22 VAL A 135 11.866 7.055 -3.045 1.00 0.62 H new ATOM 0 HG23 VAL A 135 12.387 8.467 -2.094 1.00 0.62 H new ATOM 1195 N LYS A 136 9.574 8.231 1.252 1.00 0.40 N ATOM 1196 CA LYS A 136 9.306 9.317 2.202 1.00 0.50 C ATOM 1197 C LYS A 136 9.520 10.711 1.611 1.00 0.54 C ATOM 1198 O LYS A 136 10.266 11.531 2.149 1.00 0.52 O ATOM 1199 CB LYS A 136 10.044 9.115 3.534 1.00 0.60 C ATOM 1200 CG LYS A 136 11.277 8.226 3.483 1.00 0.59 C ATOM 1201 CD LYS A 136 12.432 8.838 2.718 1.00 1.23 C ATOM 1202 CE LYS A 136 12.809 10.202 3.264 1.00 1.54 C ATOM 1203 NZ LYS A 136 13.971 10.785 2.544 1.00 1.86 N ATOM 0 H LYS A 136 9.013 7.398 1.433 1.00 0.40 H new ATOM 0 HA LYS A 136 8.240 9.264 2.423 1.00 0.50 H new ATOM 0 HB2 LYS A 136 10.340 10.092 3.915 1.00 0.60 H new ATOM 0 HB3 LYS A 136 9.344 8.691 4.254 1.00 0.60 H new ATOM 0 HG2 LYS A 136 11.601 8.008 4.501 1.00 0.59 H new ATOM 0 HG3 LYS A 136 11.010 7.275 3.023 1.00 0.59 H new ATOM 0 HD2 LYS A 136 13.295 8.174 2.770 1.00 1.23 H new ATOM 0 HD3 LYS A 136 12.163 8.929 1.666 1.00 1.23 H new ATOM 0 HE2 LYS A 136 11.956 10.875 3.181 1.00 1.54 H new ATOM 0 HE3 LYS A 136 13.045 10.116 4.325 1.00 1.54 H new ATOM 0 HZ1 LYS A 136 14.197 11.717 2.947 1.00 1.86 H new ATOM 0 HZ2 LYS A 136 14.793 10.156 2.644 1.00 1.86 H new ATOM 0 HZ3 LYS A 136 13.737 10.891 1.536 1.00 1.86 H new