USER MOD reduce.3.24.130724 H: found=0, std=0, add=1077, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1078 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 5 LYS NZ :NH3+ -138:sc= 1.32 (180deg=-1.12) USER MOD Set 1.2: A 133 THR OG1 : rot 180:sc= 0.839 USER MOD Set 2.1: A 117 ASN :FLIP amide:sc= 0 F(o=0.35,f=0.86) USER MOD Set 2.2: A 121 ASN : amide:sc= 0.865 K(o=0.86,f=-0.064) USER MOD Set 3.1: A 109 THR OG1 : rot -77:sc= 0.735 USER MOD Set 3.2: A 110 GLN : amide:sc= 0 X(o=0.74,f=0.73) USER MOD Set 4.1: A 78 ASN : amide:sc= 0.154 K(o=0.35,f=-2.2!) USER MOD Set 4.2: A 104 ASN : amide:sc= 0.192 K(o=0.35,f=-2.5) USER MOD Set 5.1: A 68 TYR OH : rot -12:sc= 0.454 USER MOD Set 5.2: A 88 HIS : no HD1:sc= 0.179 K(o=0.63,f=-2.6) USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= 0.117 (180deg=-0.101) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -179:sc= 0.256 (180deg=0.238) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -104:sc= 0.328 USER MOD Single : A 24 TYR OH : rot -72:sc= 1.3 USER MOD Single : A 26 GLN : amide:sc= -0.136 K(o=-0.14,f=-0.89) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.406 F(o=-2.3!,f=-0.41) USER MOD Single : A 42 SER OG : rot 180:sc= -0.0202 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 138:sc= 1.04 (180deg=-0.697!) USER MOD Single : A 50 ASN : amide:sc= 0.122 X(o=0.12,f=-0.25) USER MOD Single : A 54 THR OG1 : rot 176:sc= 0.204 USER MOD Single : A 56 LYS NZ :NH3+ -142:sc= -0.881 (180deg=-1.34!) USER MOD Single : A 64 TYR OH : rot 102:sc= 0.334 USER MOD Single : A 65 SER OG : rot -42:sc= 0.873 USER MOD Single : A 66 ASN : amide:sc= -0.105 K(o=-0.11,f=-3.1!) USER MOD Single : A 70 LYS NZ :NH3+ 167:sc=-0.00576 (180deg=-0.155) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 74:sc= 0.42 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -177:sc= 0.00165 (180deg=-0.00354) USER MOD Single : A 86 THR OG1 : rot 84:sc= 0.422 USER MOD Single : A 87 LYS NZ :NH3+ 166:sc= -0.0293 (180deg=-0.218) USER MOD Single : A 97 GLN :FLIP amide:sc= -0.233 F(o=-0.89,f=-0.23) USER MOD Single : A 102 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0259) USER MOD Single : A 103 TYR OH : rot 180:sc= -0.0598 USER MOD Single : A 105 GLN : amide:sc= -0.0236 X(o=-0.024,f=-0.35) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 TYR OH : rot -84:sc= 0.181 USER MOD Single : A 126 ASN : amide:sc= -0.771 K(o=-0.77,f=-2.3!) USER MOD Single : A 136 TYR OH : rot 56:sc= 0.497 USER MOD ----------------------------------------------------------------- ATOM 42 N VAL A 3 14.999 6.474 -10.579 1.00 65.11 N ATOM 43 CA VAL A 3 13.565 6.356 -10.255 1.00 1.13 C ATOM 44 C VAL A 3 13.040 5.017 -10.832 1.00 65.03 C ATOM 45 O VAL A 3 12.783 4.908 -12.038 1.00 1.14 O ATOM 46 CB VAL A 3 12.730 7.577 -10.812 1.00 22.33 C ATOM 47 CG1 VAL A 3 11.254 7.508 -10.337 1.00 1.23 C ATOM 48 CG2 VAL A 3 13.385 8.942 -10.441 1.00 41.01 C ATOM 0 HA VAL A 3 13.444 6.369 -9.172 1.00 1.13 H new ATOM 0 HB VAL A 3 12.733 7.506 -11.900 1.00 22.33 H new ATOM 0 HG11 VAL A 3 10.703 8.360 -10.735 1.00 1.23 H new ATOM 0 HG12 VAL A 3 10.800 6.584 -10.694 1.00 1.23 H new ATOM 0 HG13 VAL A 3 11.221 7.531 -9.248 1.00 1.23 H new ATOM 0 HG21 VAL A 3 12.781 9.756 -10.842 1.00 41.01 H new ATOM 0 HG22 VAL A 3 13.444 9.034 -9.357 1.00 41.01 H new ATOM 0 HG23 VAL A 3 14.388 8.991 -10.865 1.00 41.01 H new ATOM 58 N PHE A 4 12.950 3.996 -9.954 1.00 33.33 N ATOM 59 CA PHE A 4 12.525 2.620 -10.312 1.00 41.34 C ATOM 60 C PHE A 4 11.108 2.600 -10.933 1.00 41.43 C ATOM 61 O PHE A 4 10.162 3.094 -10.328 1.00 71.30 O ATOM 62 CB PHE A 4 12.559 1.709 -9.050 1.00 11.22 C ATOM 63 CG PHE A 4 13.950 1.494 -8.446 1.00 1.13 C ATOM 64 CD1 PHE A 4 14.488 2.397 -7.521 1.00 61.34 C ATOM 65 CD2 PHE A 4 14.718 0.382 -8.803 1.00 64.02 C ATOM 66 CE1 PHE A 4 15.744 2.192 -6.976 1.00 74.21 C ATOM 67 CE2 PHE A 4 15.972 0.180 -8.257 1.00 13.23 C ATOM 68 CZ PHE A 4 16.485 1.084 -7.345 1.00 64.34 C ATOM 0 H PHE A 4 13.172 4.102 -8.964 1.00 33.33 H new ATOM 0 HA PHE A 4 13.223 2.242 -11.059 1.00 41.34 H new ATOM 0 HB2 PHE A 4 11.912 2.144 -8.288 1.00 11.22 H new ATOM 0 HB3 PHE A 4 12.138 0.738 -9.310 1.00 11.22 H new ATOM 0 HD1 PHE A 4 13.916 3.265 -7.229 1.00 61.34 H new ATOM 0 HD2 PHE A 4 14.326 -0.329 -9.515 1.00 64.02 H new ATOM 0 HE1 PHE A 4 16.145 2.897 -6.263 1.00 74.21 H new ATOM 0 HE2 PHE A 4 16.552 -0.685 -8.543 1.00 13.23 H new ATOM 0 HZ PHE A 4 17.465 0.925 -6.920 1.00 64.34 H new ATOM 78 N LYS A 5 10.992 2.044 -12.150 1.00 64.23 N ATOM 79 CA LYS A 5 9.691 1.843 -12.831 1.00 44.20 C ATOM 80 C LYS A 5 9.705 0.558 -13.683 1.00 11.20 C ATOM 81 O LYS A 5 10.772 0.016 -14.002 1.00 72.32 O ATOM 82 CB LYS A 5 9.312 3.051 -13.735 1.00 61.04 C ATOM 83 CG LYS A 5 10.280 3.335 -14.915 1.00 32.54 C ATOM 84 CD LYS A 5 9.626 4.104 -16.098 1.00 50.30 C ATOM 85 CE LYS A 5 9.035 5.491 -15.735 1.00 24.25 C ATOM 86 NZ LYS A 5 7.726 5.411 -15.030 1.00 3.34 N ATOM 0 H LYS A 5 11.792 1.720 -12.693 1.00 64.23 H new ATOM 0 HA LYS A 5 8.941 1.751 -12.045 1.00 44.20 H new ATOM 0 HB2 LYS A 5 8.314 2.880 -14.140 1.00 61.04 H new ATOM 0 HB3 LYS A 5 9.255 3.944 -13.112 1.00 61.04 H new ATOM 0 HG2 LYS A 5 11.128 3.911 -14.545 1.00 32.54 H new ATOM 0 HG3 LYS A 5 10.674 2.388 -15.284 1.00 32.54 H new ATOM 0 HD2 LYS A 5 10.373 4.238 -16.881 1.00 50.30 H new ATOM 0 HD3 LYS A 5 8.832 3.487 -16.518 1.00 50.30 H new ATOM 0 HE2 LYS A 5 9.746 6.027 -15.106 1.00 24.25 H new ATOM 0 HE3 LYS A 5 8.913 6.075 -16.647 1.00 24.25 H new ATOM 0 HZ1 LYS A 5 7.084 6.138 -15.406 1.00 3.34 H new ATOM 0 HZ2 LYS A 5 7.309 4.470 -15.178 1.00 3.34 H new ATOM 0 HZ3 LYS A 5 7.870 5.569 -14.012 1.00 3.34 H new ATOM 100 N ARG A 6 8.500 0.080 -14.036 1.00 33.15 N ATOM 101 CA ARG A 6 8.325 -1.100 -14.906 1.00 4.40 C ATOM 102 C ARG A 6 8.637 -0.745 -16.386 1.00 11.22 C ATOM 103 O ARG A 6 7.760 -0.300 -17.137 1.00 61.41 O ATOM 104 CB ARG A 6 6.891 -1.670 -14.755 1.00 74.45 C ATOM 105 CG ARG A 6 6.670 -3.033 -15.454 1.00 15.44 C ATOM 106 CD ARG A 6 5.190 -3.419 -15.523 1.00 31.33 C ATOM 107 NE ARG A 6 4.435 -2.478 -16.375 1.00 45.04 N ATOM 108 CZ ARG A 6 3.300 -1.889 -16.064 1.00 5.02 C ATOM 109 NH1 ARG A 6 2.734 -2.073 -14.915 1.00 1.21 N ATOM 110 NH2 ARG A 6 2.738 -1.099 -16.915 1.00 4.41 N ATOM 0 H ARG A 6 7.621 0.497 -13.729 1.00 33.15 H new ATOM 0 HA ARG A 6 9.031 -1.870 -14.596 1.00 4.40 H new ATOM 0 HB2 ARG A 6 6.666 -1.778 -13.694 1.00 74.45 H new ATOM 0 HB3 ARG A 6 6.181 -0.948 -15.160 1.00 74.45 H new ATOM 0 HG2 ARG A 6 7.080 -2.992 -16.463 1.00 15.44 H new ATOM 0 HG3 ARG A 6 7.220 -3.807 -14.918 1.00 15.44 H new ATOM 0 HD2 ARG A 6 5.093 -4.430 -15.918 1.00 31.33 H new ATOM 0 HD3 ARG A 6 4.766 -3.426 -14.519 1.00 31.33 H new ATOM 0 HE ARG A 6 4.831 -2.265 -17.291 1.00 45.04 H new ATOM 0 HH11 ARG A 6 3.168 -2.687 -14.225 1.00 1.21 H new ATOM 0 HH12 ARG A 6 1.854 -1.604 -14.699 1.00 1.21 H new ATOM 0 HH21 ARG A 6 3.173 -0.934 -17.823 1.00 4.41 H new ATOM 0 HH22 ARG A 6 1.858 -0.639 -16.680 1.00 4.41 H new ATOM 124 N VAL A 7 9.917 -0.895 -16.768 1.00 53.00 N ATOM 125 CA VAL A 7 10.389 -0.616 -18.142 1.00 0.41 C ATOM 126 C VAL A 7 9.867 -1.693 -19.142 1.00 4.10 C ATOM 127 O VAL A 7 10.233 -2.872 -19.049 1.00 53.54 O ATOM 128 CB VAL A 7 11.964 -0.512 -18.194 1.00 20.14 C ATOM 129 CG1 VAL A 7 12.468 -0.191 -19.634 1.00 20.03 C ATOM 130 CG2 VAL A 7 12.485 0.527 -17.153 1.00 62.42 C ATOM 0 H VAL A 7 10.654 -1.212 -16.138 1.00 53.00 H new ATOM 0 HA VAL A 7 9.981 0.349 -18.444 1.00 0.41 H new ATOM 0 HB VAL A 7 12.375 -1.485 -17.924 1.00 20.14 H new ATOM 0 HG11 VAL A 7 13.556 -0.127 -19.633 1.00 20.03 H new ATOM 0 HG12 VAL A 7 12.152 -0.981 -20.315 1.00 20.03 H new ATOM 0 HG13 VAL A 7 12.049 0.760 -19.963 1.00 20.03 H new ATOM 0 HG21 VAL A 7 13.572 0.582 -17.207 1.00 62.42 H new ATOM 0 HG22 VAL A 7 12.061 1.507 -17.373 1.00 62.42 H new ATOM 0 HG23 VAL A 7 12.186 0.219 -16.151 1.00 62.42 H new ATOM 140 N ALA A 8 8.971 -1.251 -20.052 1.00 64.54 N ATOM 141 CA ALA A 8 8.358 -2.085 -21.121 1.00 63.54 C ATOM 142 C ALA A 8 9.394 -2.910 -21.938 1.00 72.12 C ATOM 143 O ALA A 8 9.162 -4.096 -22.217 1.00 23.02 O ATOM 144 CB ALA A 8 7.529 -1.189 -22.058 1.00 11.25 C ATOM 0 H ALA A 8 8.644 -0.285 -20.068 1.00 64.54 H new ATOM 0 HA ALA A 8 7.716 -2.814 -20.626 1.00 63.54 H new ATOM 0 HB1 ALA A 8 7.080 -1.799 -22.841 1.00 11.25 H new ATOM 0 HB2 ALA A 8 6.743 -0.695 -21.487 1.00 11.25 H new ATOM 0 HB3 ALA A 8 8.177 -0.438 -22.510 1.00 11.25 H new ATOM 150 N GLY A 9 10.515 -2.260 -22.331 1.00 1.13 N ATOM 151 CA GLY A 9 11.636 -2.935 -23.017 1.00 42.31 C ATOM 152 C GLY A 9 12.169 -4.189 -22.298 1.00 3.53 C ATOM 153 O GLY A 9 12.440 -5.214 -22.941 1.00 31.32 O ATOM 0 H GLY A 9 10.665 -1.262 -22.182 1.00 1.13 H new ATOM 0 HA2 GLY A 9 11.314 -3.217 -24.019 1.00 42.31 H new ATOM 0 HA3 GLY A 9 12.454 -2.224 -23.133 1.00 42.31 H new ATOM 157 N ILE A 10 12.295 -4.097 -20.959 1.00 14.32 N ATOM 158 CA ILE A 10 12.787 -5.201 -20.106 1.00 4.54 C ATOM 159 C ILE A 10 11.728 -6.333 -20.008 1.00 74.24 C ATOM 160 O ILE A 10 12.033 -7.489 -20.305 1.00 74.22 O ATOM 161 CB ILE A 10 13.176 -4.673 -18.667 1.00 2.33 C ATOM 162 CG1 ILE A 10 14.267 -3.549 -18.764 1.00 53.53 C ATOM 163 CG2 ILE A 10 13.653 -5.823 -17.744 1.00 51.12 C ATOM 164 CD1 ILE A 10 15.587 -3.982 -19.386 1.00 0.51 C ATOM 0 H ILE A 10 12.058 -3.254 -20.436 1.00 14.32 H new ATOM 0 HA ILE A 10 13.684 -5.611 -20.569 1.00 4.54 H new ATOM 0 HB ILE A 10 12.278 -4.246 -18.221 1.00 2.33 H new ATOM 0 HG12 ILE A 10 13.863 -2.721 -19.347 1.00 53.53 H new ATOM 0 HG13 ILE A 10 14.463 -3.167 -17.762 1.00 53.53 H new ATOM 0 HG21 ILE A 10 13.911 -5.420 -16.765 1.00 51.12 H new ATOM 0 HG22 ILE A 10 12.855 -6.557 -17.635 1.00 51.12 H new ATOM 0 HG23 ILE A 10 14.529 -6.301 -18.182 1.00 51.12 H new ATOM 0 HD11 ILE A 10 16.274 -3.136 -19.408 1.00 0.51 H new ATOM 0 HD12 ILE A 10 16.022 -4.787 -18.793 1.00 0.51 H new ATOM 0 HD13 ILE A 10 15.412 -4.334 -20.403 1.00 0.51 H new ATOM 176 N LYS A 11 10.487 -5.954 -19.590 1.00 30.20 N ATOM 177 CA LYS A 11 9.291 -6.860 -19.415 1.00 21.35 C ATOM 178 C LYS A 11 9.577 -8.204 -18.650 1.00 3.51 C ATOM 179 O LYS A 11 8.744 -9.124 -18.658 1.00 33.12 O ATOM 180 CB LYS A 11 8.606 -7.140 -20.796 1.00 61.43 C ATOM 181 CG LYS A 11 9.310 -8.184 -21.708 1.00 30.31 C ATOM 182 CD LYS A 11 8.636 -8.341 -23.088 1.00 31.45 C ATOM 183 CE LYS A 11 8.723 -7.058 -23.936 1.00 64.53 C ATOM 184 NZ LYS A 11 10.133 -6.615 -24.141 1.00 22.24 N ATOM 0 H LYS A 11 10.275 -4.984 -19.356 1.00 30.20 H new ATOM 0 HA LYS A 11 8.610 -6.309 -18.766 1.00 21.35 H new ATOM 0 HB2 LYS A 11 7.586 -7.478 -20.611 1.00 61.43 H new ATOM 0 HB3 LYS A 11 8.536 -6.199 -21.342 1.00 61.43 H new ATOM 0 HG2 LYS A 11 10.350 -7.889 -21.850 1.00 30.31 H new ATOM 0 HG3 LYS A 11 9.319 -9.150 -21.203 1.00 30.31 H new ATOM 0 HD2 LYS A 11 9.108 -9.162 -23.628 1.00 31.45 H new ATOM 0 HD3 LYS A 11 7.589 -8.611 -22.949 1.00 31.45 H new ATOM 0 HE2 LYS A 11 8.254 -7.232 -24.904 1.00 64.53 H new ATOM 0 HE3 LYS A 11 8.161 -6.262 -23.447 1.00 64.53 H new ATOM 0 HZ1 LYS A 11 10.184 -5.994 -24.974 1.00 22.24 H new ATOM 0 HZ2 LYS A 11 10.459 -6.096 -23.301 1.00 22.24 H new ATOM 0 HZ3 LYS A 11 10.740 -7.446 -24.292 1.00 22.24 H new ATOM 198 N ASP A 12 10.712 -8.265 -17.931 1.00 12.30 N ATOM 199 CA ASP A 12 11.246 -9.511 -17.333 1.00 14.21 C ATOM 200 C ASP A 12 10.722 -9.697 -15.893 1.00 41.24 C ATOM 201 O ASP A 12 10.696 -8.745 -15.123 1.00 74.11 O ATOM 202 CB ASP A 12 12.796 -9.457 -17.354 1.00 62.24 C ATOM 203 CG ASP A 12 13.460 -10.676 -16.701 1.00 71.55 C ATOM 204 OD1 ASP A 12 13.425 -11.770 -17.294 1.00 53.43 O ATOM 205 OD2 ASP A 12 13.998 -10.552 -15.585 1.00 51.12 O ATOM 0 H ASP A 12 11.292 -7.447 -17.745 1.00 12.30 H new ATOM 0 HA ASP A 12 10.907 -10.366 -17.917 1.00 14.21 H new ATOM 0 HB2 ASP A 12 13.135 -9.379 -18.387 1.00 62.24 H new ATOM 0 HB3 ASP A 12 13.127 -8.554 -16.841 1.00 62.24 H new ATOM 210 N LYS A 13 10.347 -10.942 -15.535 1.00 32.54 N ATOM 211 CA LYS A 13 9.740 -11.267 -14.220 1.00 32.40 C ATOM 212 C LYS A 13 10.740 -11.165 -13.047 1.00 52.22 C ATOM 213 O LYS A 13 10.334 -10.886 -11.925 1.00 44.40 O ATOM 214 CB LYS A 13 9.109 -12.677 -14.254 1.00 30.33 C ATOM 215 CG LYS A 13 7.951 -12.815 -15.257 1.00 44.32 C ATOM 216 CD LYS A 13 7.307 -14.214 -15.231 1.00 11.23 C ATOM 217 CE LYS A 13 6.119 -14.322 -16.190 1.00 62.01 C ATOM 218 NZ LYS A 13 5.473 -15.656 -16.116 1.00 43.00 N ATOM 0 H LYS A 13 10.455 -11.752 -16.146 1.00 32.54 H new ATOM 0 HA LYS A 13 8.967 -10.519 -14.043 1.00 32.40 H new ATOM 0 HB2 LYS A 13 9.881 -13.405 -14.503 1.00 30.33 H new ATOM 0 HB3 LYS A 13 8.746 -12.926 -13.257 1.00 30.33 H new ATOM 0 HG2 LYS A 13 7.192 -12.066 -15.034 1.00 44.32 H new ATOM 0 HG3 LYS A 13 8.319 -12.607 -16.262 1.00 44.32 H new ATOM 0 HD2 LYS A 13 8.055 -14.961 -15.496 1.00 11.23 H new ATOM 0 HD3 LYS A 13 6.975 -14.441 -14.218 1.00 11.23 H new ATOM 0 HE2 LYS A 13 5.388 -13.550 -15.952 1.00 62.01 H new ATOM 0 HE3 LYS A 13 6.457 -14.137 -17.210 1.00 62.01 H new ATOM 0 HZ1 LYS A 13 4.673 -15.691 -16.779 1.00 43.00 H new ATOM 0 HZ2 LYS A 13 6.164 -16.391 -16.368 1.00 43.00 H new ATOM 0 HZ3 LYS A 13 5.128 -15.822 -15.149 1.00 43.00 H new ATOM 232 N ALA A 14 12.041 -11.405 -13.317 1.00 62.33 N ATOM 233 CA ALA A 14 13.107 -11.312 -12.283 1.00 4.23 C ATOM 234 C ALA A 14 13.483 -9.829 -12.014 1.00 11.03 C ATOM 235 O ALA A 14 13.854 -9.461 -10.891 1.00 61.14 O ATOM 236 CB ALA A 14 14.338 -12.146 -12.685 1.00 64.24 C ATOM 0 H ALA A 14 12.384 -11.665 -14.242 1.00 62.33 H new ATOM 0 HA ALA A 14 12.721 -11.729 -11.353 1.00 4.23 H new ATOM 0 HB1 ALA A 14 15.103 -12.061 -11.913 1.00 64.24 H new ATOM 0 HB2 ALA A 14 14.049 -13.191 -12.796 1.00 64.24 H new ATOM 0 HB3 ALA A 14 14.735 -11.777 -13.631 1.00 64.24 H new ATOM 242 N ALA A 15 13.353 -8.981 -13.056 1.00 64.22 N ATOM 243 CA ALA A 15 13.513 -7.514 -12.934 1.00 31.04 C ATOM 244 C ALA A 15 12.282 -6.906 -12.221 1.00 64.44 C ATOM 245 O ALA A 15 12.412 -5.991 -11.395 1.00 74.30 O ATOM 246 CB ALA A 15 13.708 -6.882 -14.317 1.00 11.43 C ATOM 0 H ALA A 15 13.135 -9.291 -14.003 1.00 64.22 H new ATOM 0 HA ALA A 15 14.400 -7.302 -12.336 1.00 31.04 H new ATOM 0 HB1 ALA A 15 13.824 -5.803 -14.211 1.00 11.43 H new ATOM 0 HB2 ALA A 15 14.600 -7.299 -14.785 1.00 11.43 H new ATOM 0 HB3 ALA A 15 12.839 -7.094 -14.940 1.00 11.43 H new ATOM 252 N ILE A 16 11.087 -7.458 -12.556 1.00 41.33 N ATOM 253 CA ILE A 16 9.818 -7.155 -11.854 1.00 62.52 C ATOM 254 C ILE A 16 9.898 -7.634 -10.383 1.00 61.51 C ATOM 255 O ILE A 16 9.398 -6.962 -9.506 1.00 11.22 O ATOM 256 CB ILE A 16 8.528 -7.757 -12.615 1.00 12.41 C ATOM 257 CG1 ILE A 16 7.891 -6.695 -13.593 1.00 74.55 C ATOM 258 CG2 ILE A 16 7.431 -8.330 -11.651 1.00 70.54 C ATOM 259 CD1 ILE A 16 8.772 -6.233 -14.747 1.00 42.11 C ATOM 0 H ILE A 16 10.979 -8.125 -13.320 1.00 41.33 H new ATOM 0 HA ILE A 16 9.685 -6.073 -11.859 1.00 62.52 H new ATOM 0 HB ILE A 16 8.905 -8.601 -13.193 1.00 12.41 H new ATOM 0 HG12 ILE A 16 6.975 -7.117 -14.008 1.00 74.55 H new ATOM 0 HG13 ILE A 16 7.603 -5.820 -13.009 1.00 74.55 H new ATOM 0 HG21 ILE A 16 6.597 -8.716 -12.237 1.00 70.54 H new ATOM 0 HG22 ILE A 16 7.857 -9.135 -11.053 1.00 70.54 H new ATOM 0 HG23 ILE A 16 7.076 -7.538 -10.992 1.00 70.54 H new ATOM 0 HD11 ILE A 16 8.229 -5.505 -15.350 1.00 42.11 H new ATOM 0 HD12 ILE A 16 9.678 -5.773 -14.352 1.00 42.11 H new ATOM 0 HD13 ILE A 16 9.040 -7.089 -15.366 1.00 42.11 H new ATOM 271 N LYS A 17 10.592 -8.760 -10.129 1.00 55.14 N ATOM 272 CA LYS A 17 10.671 -9.386 -8.782 1.00 40.22 C ATOM 273 C LYS A 17 11.434 -8.511 -7.753 1.00 35.44 C ATOM 274 O LYS A 17 11.038 -8.432 -6.581 1.00 3.45 O ATOM 275 CB LYS A 17 11.306 -10.790 -8.897 1.00 41.30 C ATOM 276 CG LYS A 17 11.426 -11.565 -7.569 1.00 14.12 C ATOM 277 CD LYS A 17 11.870 -13.030 -7.767 1.00 72.43 C ATOM 278 CE LYS A 17 10.814 -13.864 -8.512 1.00 11.13 C ATOM 279 NZ LYS A 17 9.534 -13.916 -7.763 1.00 41.31 N ATOM 0 H LYS A 17 11.114 -9.265 -10.845 1.00 55.14 H new ATOM 0 HA LYS A 17 9.653 -9.477 -8.403 1.00 40.22 H new ATOM 0 HB2 LYS A 17 10.714 -11.383 -9.594 1.00 41.30 H new ATOM 0 HB3 LYS A 17 12.301 -10.687 -9.331 1.00 41.30 H new ATOM 0 HG2 LYS A 17 12.142 -11.058 -6.922 1.00 14.12 H new ATOM 0 HG3 LYS A 17 10.464 -11.548 -7.056 1.00 14.12 H new ATOM 0 HD2 LYS A 17 12.806 -13.051 -8.325 1.00 72.43 H new ATOM 0 HD3 LYS A 17 12.067 -13.482 -6.795 1.00 72.43 H new ATOM 0 HE2 LYS A 17 10.642 -13.436 -9.500 1.00 11.13 H new ATOM 0 HE3 LYS A 17 11.189 -14.876 -8.664 1.00 11.13 H new ATOM 0 HZ1 LYS A 17 8.850 -14.500 -8.285 1.00 41.31 H new ATOM 0 HZ2 LYS A 17 9.698 -14.331 -6.824 1.00 41.31 H new ATOM 0 HZ3 LYS A 17 9.156 -12.953 -7.655 1.00 41.31 H new ATOM 293 N THR A 18 12.528 -7.851 -8.184 1.00 10.34 N ATOM 294 CA THR A 18 13.247 -6.862 -7.342 1.00 64.00 C ATOM 295 C THR A 18 12.385 -5.584 -7.152 1.00 23.42 C ATOM 296 O THR A 18 12.415 -4.952 -6.097 1.00 0.50 O ATOM 297 CB THR A 18 14.632 -6.488 -7.984 1.00 41.22 C ATOM 298 OG1 THR A 18 15.395 -7.690 -8.219 1.00 43.33 O ATOM 299 CG2 THR A 18 15.456 -5.524 -7.102 1.00 13.34 C ATOM 0 H THR A 18 12.936 -7.982 -9.110 1.00 10.34 H new ATOM 0 HA THR A 18 13.428 -7.313 -6.366 1.00 64.00 H new ATOM 0 HB THR A 18 14.424 -5.974 -8.923 1.00 41.22 H new ATOM 0 HG1 THR A 18 16.258 -7.456 -8.621 1.00 43.33 H new ATOM 0 HG21 THR A 18 16.402 -5.300 -7.594 1.00 13.34 H new ATOM 0 HG22 THR A 18 14.897 -4.600 -6.952 1.00 13.34 H new ATOM 0 HG23 THR A 18 15.651 -5.991 -6.136 1.00 13.34 H new ATOM 307 N LEU A 19 11.613 -5.244 -8.205 1.00 32.34 N ATOM 308 CA LEU A 19 10.626 -4.128 -8.212 1.00 21.05 C ATOM 309 C LEU A 19 9.480 -4.409 -7.186 1.00 4.30 C ATOM 310 O LEU A 19 8.974 -3.478 -6.547 1.00 1.53 O ATOM 311 CB LEU A 19 10.106 -3.965 -9.683 1.00 23.23 C ATOM 312 CG LEU A 19 9.303 -2.675 -10.079 1.00 12.23 C ATOM 313 CD1 LEU A 19 9.342 -2.457 -11.609 1.00 23.44 C ATOM 314 CD2 LEU A 19 7.830 -2.697 -9.577 1.00 45.12 C ATOM 0 H LEU A 19 11.654 -5.743 -9.094 1.00 32.34 H new ATOM 0 HA LEU A 19 11.083 -3.190 -7.897 1.00 21.05 H new ATOM 0 HB2 LEU A 19 10.970 -4.028 -10.344 1.00 23.23 H new ATOM 0 HB3 LEU A 19 9.473 -4.825 -9.903 1.00 23.23 H new ATOM 0 HG LEU A 19 9.796 -1.840 -9.580 1.00 12.23 H new ATOM 0 HD11 LEU A 19 8.780 -1.558 -11.863 1.00 23.44 H new ATOM 0 HD12 LEU A 19 10.376 -2.342 -11.934 1.00 23.44 H new ATOM 0 HD13 LEU A 19 8.898 -3.317 -12.110 1.00 23.44 H new ATOM 0 HD21 LEU A 19 7.328 -1.779 -9.882 1.00 45.12 H new ATOM 0 HD22 LEU A 19 7.312 -3.554 -10.007 1.00 45.12 H new ATOM 0 HD23 LEU A 19 7.817 -2.774 -8.490 1.00 45.12 H new ATOM 326 N ILE A 20 9.111 -5.708 -7.026 1.00 71.43 N ATOM 327 CA ILE A 20 8.130 -6.177 -6.008 1.00 3.51 C ATOM 328 C ILE A 20 8.675 -5.876 -4.585 1.00 71.43 C ATOM 329 O ILE A 20 8.013 -5.219 -3.771 1.00 54.34 O ATOM 330 CB ILE A 20 7.842 -7.739 -6.145 1.00 73.24 C ATOM 331 CG1 ILE A 20 7.314 -8.120 -7.563 1.00 73.42 C ATOM 332 CG2 ILE A 20 6.865 -8.254 -5.065 1.00 53.05 C ATOM 333 CD1 ILE A 20 6.030 -7.439 -7.991 1.00 44.32 C ATOM 0 H ILE A 20 9.486 -6.462 -7.601 1.00 71.43 H new ATOM 0 HA ILE A 20 7.193 -5.645 -6.174 1.00 3.51 H new ATOM 0 HB ILE A 20 8.804 -8.229 -5.994 1.00 73.24 H new ATOM 0 HG12 ILE A 20 8.088 -7.887 -8.294 1.00 73.42 H new ATOM 0 HG13 ILE A 20 7.160 -9.199 -7.595 1.00 73.42 H new ATOM 0 HG21 ILE A 20 6.702 -9.323 -5.202 1.00 53.05 H new ATOM 0 HG22 ILE A 20 7.288 -8.075 -4.077 1.00 53.05 H new ATOM 0 HG23 ILE A 20 5.915 -7.728 -5.153 1.00 53.05 H new ATOM 0 HD11 ILE A 20 5.755 -7.776 -8.990 1.00 44.32 H new ATOM 0 HD12 ILE A 20 5.234 -7.691 -7.291 1.00 44.32 H new ATOM 0 HD13 ILE A 20 6.177 -6.359 -8.000 1.00 44.32 H new ATOM 345 N SER A 21 9.918 -6.345 -4.333 1.00 65.31 N ATOM 346 CA SER A 21 10.633 -6.165 -3.043 1.00 63.53 C ATOM 347 C SER A 21 10.974 -4.676 -2.743 1.00 20.11 C ATOM 348 O SER A 21 11.040 -4.279 -1.575 1.00 24.14 O ATOM 349 CB SER A 21 11.924 -7.021 -3.019 1.00 74.23 C ATOM 350 OG SER A 21 11.639 -8.410 -3.138 1.00 53.13 O ATOM 0 H SER A 21 10.460 -6.864 -5.024 1.00 65.31 H new ATOM 0 HA SER A 21 9.954 -6.501 -2.259 1.00 63.53 H new ATOM 0 HB2 SER A 21 12.579 -6.713 -3.834 1.00 74.23 H new ATOM 0 HB3 SER A 21 12.464 -6.839 -2.090 1.00 74.23 H new ATOM 0 HG SER A 21 11.738 -8.840 -2.263 1.00 53.13 H new ATOM 356 N ALA A 22 11.169 -3.861 -3.811 1.00 71.25 N ATOM 357 CA ALA A 22 11.497 -2.415 -3.692 1.00 53.14 C ATOM 358 C ALA A 22 10.242 -1.605 -3.287 1.00 33.03 C ATOM 359 O ALA A 22 10.317 -0.690 -2.459 1.00 52.02 O ATOM 360 CB ALA A 22 12.089 -1.874 -5.013 1.00 52.34 C ATOM 0 H ALA A 22 11.104 -4.185 -4.776 1.00 71.25 H new ATOM 0 HA ALA A 22 12.249 -2.301 -2.911 1.00 53.14 H new ATOM 0 HB1 ALA A 22 12.321 -0.815 -4.901 1.00 52.34 H new ATOM 0 HB2 ALA A 22 13.000 -2.421 -5.254 1.00 52.34 H new ATOM 0 HB3 ALA A 22 11.364 -2.004 -5.817 1.00 52.34 H new ATOM 366 N ALA A 23 9.090 -1.962 -3.900 1.00 73.41 N ATOM 367 CA ALA A 23 7.758 -1.423 -3.537 1.00 15.35 C ATOM 368 C ALA A 23 7.406 -1.700 -2.051 1.00 31.51 C ATOM 369 O ALA A 23 6.778 -0.866 -1.386 1.00 44.20 O ATOM 370 CB ALA A 23 6.689 -2.002 -4.485 1.00 71.42 C ATOM 0 H ALA A 23 9.058 -2.636 -4.665 1.00 73.41 H new ATOM 0 HA ALA A 23 7.783 -0.339 -3.652 1.00 15.35 H new ATOM 0 HB1 ALA A 23 5.710 -1.604 -4.216 1.00 71.42 H new ATOM 0 HB2 ALA A 23 6.924 -1.723 -5.512 1.00 71.42 H new ATOM 0 HB3 ALA A 23 6.675 -3.088 -4.398 1.00 71.42 H new ATOM 376 N TYR A 24 7.854 -2.863 -1.534 1.00 5.33 N ATOM 377 CA TYR A 24 7.693 -3.225 -0.108 1.00 5.33 C ATOM 378 C TYR A 24 8.493 -2.291 0.825 1.00 41.21 C ATOM 379 O TYR A 24 8.051 -2.007 1.932 1.00 42.13 O ATOM 380 CB TYR A 24 8.128 -4.683 0.150 1.00 3.43 C ATOM 381 CG TYR A 24 7.284 -5.756 -0.551 1.00 12.12 C ATOM 382 CD1 TYR A 24 5.926 -5.573 -0.812 1.00 21.14 C ATOM 383 CD2 TYR A 24 7.845 -6.972 -0.916 1.00 53.30 C ATOM 384 CE1 TYR A 24 5.174 -6.560 -1.409 1.00 64.04 C ATOM 385 CE2 TYR A 24 7.099 -7.953 -1.511 1.00 70.20 C ATOM 386 CZ TYR A 24 5.766 -7.744 -1.758 1.00 55.54 C ATOM 387 OH TYR A 24 5.026 -8.729 -2.365 1.00 42.51 O ATOM 0 H TYR A 24 8.334 -3.573 -2.087 1.00 5.33 H new ATOM 0 HA TYR A 24 6.632 -3.114 0.116 1.00 5.33 H new ATOM 0 HB2 TYR A 24 9.165 -4.796 -0.167 1.00 3.43 H new ATOM 0 HB3 TYR A 24 8.101 -4.868 1.224 1.00 3.43 H new ATOM 0 HD1 TYR A 24 5.455 -4.640 -0.541 1.00 21.14 H new ATOM 0 HD2 TYR A 24 8.894 -7.148 -0.726 1.00 53.30 H new ATOM 0 HE1 TYR A 24 4.123 -6.401 -1.601 1.00 64.04 H new ATOM 0 HE2 TYR A 24 7.559 -8.891 -1.786 1.00 70.20 H new ATOM 0 HH TYR A 24 4.413 -9.127 -1.712 1.00 42.51 H new ATOM 397 N ARG A 25 9.654 -1.787 0.351 1.00 54.24 N ATOM 398 CA ARG A 25 10.538 -0.895 1.148 1.00 60.53 C ATOM 399 C ARG A 25 9.884 0.483 1.415 1.00 60.35 C ATOM 400 O ARG A 25 10.379 1.269 2.228 1.00 73.04 O ATOM 401 CB ARG A 25 11.889 -0.691 0.425 1.00 75.03 C ATOM 402 CG ARG A 25 12.671 -1.987 0.164 1.00 21.21 C ATOM 403 CD ARG A 25 13.981 -1.750 -0.606 1.00 15.42 C ATOM 404 NE ARG A 25 14.915 -0.870 0.126 1.00 53.32 N ATOM 405 CZ ARG A 25 16.054 -1.246 0.675 1.00 11.50 C ATOM 406 NH1 ARG A 25 16.449 -2.484 0.642 1.00 25.42 N ATOM 407 NH2 ARG A 25 16.796 -0.365 1.259 1.00 31.32 N ATOM 0 H ARG A 25 10.006 -1.982 -0.586 1.00 54.24 H new ATOM 0 HA ARG A 25 10.703 -1.383 2.109 1.00 60.53 H new ATOM 0 HB2 ARG A 25 11.706 -0.193 -0.527 1.00 75.03 H new ATOM 0 HB3 ARG A 25 12.509 -0.021 1.021 1.00 75.03 H new ATOM 0 HG2 ARG A 25 12.897 -2.467 1.116 1.00 21.21 H new ATOM 0 HG3 ARG A 25 12.043 -2.677 -0.400 1.00 21.21 H new ATOM 0 HD2 ARG A 25 14.464 -2.708 -0.798 1.00 15.42 H new ATOM 0 HD3 ARG A 25 13.754 -1.307 -1.576 1.00 15.42 H new ATOM 0 HE ARG A 25 14.657 0.113 0.214 1.00 53.32 H new ATOM 0 HH11 ARG A 25 15.874 -3.191 0.184 1.00 25.42 H new ATOM 0 HH12 ARG A 25 17.334 -2.749 1.074 1.00 25.42 H new ATOM 0 HH21 ARG A 25 16.499 0.610 1.292 1.00 31.32 H new ATOM 0 HH22 ARG A 25 17.679 -0.645 1.687 1.00 31.32 H new ATOM 421 N GLN A 26 8.810 0.785 0.677 1.00 33.03 N ATOM 422 CA GLN A 26 8.020 2.005 0.880 1.00 51.41 C ATOM 423 C GLN A 26 6.786 1.730 1.784 1.00 32.15 C ATOM 424 O GLN A 26 6.565 2.448 2.763 1.00 40.51 O ATOM 425 CB GLN A 26 7.596 2.584 -0.493 1.00 25.35 C ATOM 426 CG GLN A 26 6.782 3.894 -0.429 1.00 73.11 C ATOM 427 CD GLN A 26 7.461 5.030 0.348 1.00 72.21 C ATOM 428 OE1 GLN A 26 8.229 5.797 -0.207 1.00 74.12 O ATOM 429 NE2 GLN A 26 7.172 5.160 1.635 1.00 64.35 N ATOM 0 H GLN A 26 8.464 0.191 -0.077 1.00 33.03 H new ATOM 0 HA GLN A 26 8.635 2.743 1.395 1.00 51.41 H new ATOM 0 HB2 GLN A 26 8.492 2.760 -1.088 1.00 25.35 H new ATOM 0 HB3 GLN A 26 7.006 1.834 -1.020 1.00 25.35 H new ATOM 0 HG2 GLN A 26 6.585 4.234 -1.446 1.00 73.11 H new ATOM 0 HG3 GLN A 26 5.816 3.684 0.030 1.00 73.11 H new ATOM 0 HE21 GLN A 26 6.527 4.508 2.081 1.00 64.35 H new ATOM 0 HE22 GLN A 26 7.595 5.912 2.179 1.00 64.35 H new ATOM 438 N ILE A 27 6.000 0.681 1.450 1.00 51.24 N ATOM 439 CA ILE A 27 4.732 0.345 2.168 1.00 44.35 C ATOM 440 C ILE A 27 5.026 -0.381 3.503 1.00 23.32 C ATOM 441 O ILE A 27 4.658 0.099 4.577 1.00 74.53 O ATOM 442 CB ILE A 27 3.733 -0.504 1.263 1.00 2.52 C ATOM 443 CG1 ILE A 27 3.118 0.375 0.112 1.00 0.23 C ATOM 444 CG2 ILE A 27 2.588 -1.168 2.099 1.00 0.14 C ATOM 445 CD1 ILE A 27 4.094 0.914 -0.928 1.00 41.04 C ATOM 0 H ILE A 27 6.217 0.044 0.684 1.00 51.24 H new ATOM 0 HA ILE A 27 4.234 1.288 2.393 1.00 44.35 H new ATOM 0 HB ILE A 27 4.326 -1.304 0.819 1.00 2.52 H new ATOM 0 HG12 ILE A 27 2.363 -0.218 -0.404 1.00 0.23 H new ATOM 0 HG13 ILE A 27 2.603 1.221 0.567 1.00 0.23 H new ATOM 0 HG21 ILE A 27 1.935 -1.735 1.436 1.00 0.14 H new ATOM 0 HG22 ILE A 27 3.021 -1.838 2.841 1.00 0.14 H new ATOM 0 HG23 ILE A 27 2.010 -0.394 2.603 1.00 0.14 H new ATOM 0 HD11 ILE A 27 3.550 1.503 -1.667 1.00 41.04 H new ATOM 0 HD12 ILE A 27 4.837 1.543 -0.438 1.00 41.04 H new ATOM 0 HD13 ILE A 27 4.594 0.082 -1.424 1.00 41.04 H new ATOM 457 N PHE A 28 5.709 -1.531 3.428 1.00 65.33 N ATOM 458 CA PHE A 28 6.097 -2.316 4.631 1.00 11.23 C ATOM 459 C PHE A 28 7.382 -1.748 5.296 1.00 12.11 C ATOM 460 O PHE A 28 7.738 -2.157 6.405 1.00 32.40 O ATOM 461 CB PHE A 28 6.291 -3.808 4.246 1.00 24.54 C ATOM 462 CG PHE A 28 5.024 -4.453 3.682 1.00 63.01 C ATOM 463 CD1 PHE A 28 4.742 -4.405 2.316 1.00 21.11 C ATOM 464 CD2 PHE A 28 4.103 -5.086 4.517 1.00 14.42 C ATOM 465 CE1 PHE A 28 3.586 -4.963 1.808 1.00 44.23 C ATOM 466 CE2 PHE A 28 2.950 -5.646 4.000 1.00 35.50 C ATOM 467 CZ PHE A 28 2.692 -5.585 2.648 1.00 22.54 C ATOM 0 H PHE A 28 6.010 -1.949 2.547 1.00 65.33 H new ATOM 0 HA PHE A 28 5.293 -2.237 5.363 1.00 11.23 H new ATOM 0 HB2 PHE A 28 7.090 -3.886 3.509 1.00 24.54 H new ATOM 0 HB3 PHE A 28 6.614 -4.365 5.126 1.00 24.54 H new ATOM 0 HD1 PHE A 28 5.439 -3.924 1.646 1.00 21.11 H new ATOM 0 HD2 PHE A 28 4.293 -5.139 5.579 1.00 14.42 H new ATOM 0 HE1 PHE A 28 3.383 -4.911 0.748 1.00 44.23 H new ATOM 0 HE2 PHE A 28 2.248 -6.134 4.659 1.00 35.50 H new ATOM 0 HZ PHE A 28 1.790 -6.025 2.249 1.00 22.54 H new ATOM 477 N GLU A 29 8.010 -0.758 4.612 1.00 20.44 N ATOM 478 CA GLU A 29 9.308 -0.121 4.968 1.00 20.20 C ATOM 479 C GLU A 29 10.538 -1.071 4.881 1.00 3.13 C ATOM 480 O GLU A 29 11.544 -0.753 4.229 1.00 21.31 O ATOM 481 CB GLU A 29 9.238 0.614 6.335 1.00 62.20 C ATOM 482 CG GLU A 29 10.422 1.570 6.616 1.00 51.31 C ATOM 483 CD GLU A 29 10.530 2.719 5.588 1.00 53.13 C ATOM 484 OE1 GLU A 29 9.619 3.579 5.550 1.00 65.44 O ATOM 485 OE2 GLU A 29 11.512 2.762 4.804 1.00 11.42 O ATOM 0 H GLU A 29 7.610 -0.364 3.761 1.00 20.44 H new ATOM 0 HA GLU A 29 9.476 0.627 4.193 1.00 20.20 H new ATOM 0 HB2 GLU A 29 8.310 1.184 6.379 1.00 62.20 H new ATOM 0 HB3 GLU A 29 9.193 -0.130 7.130 1.00 62.20 H new ATOM 0 HG2 GLU A 29 10.311 1.993 7.614 1.00 51.31 H new ATOM 0 HG3 GLU A 29 11.351 0.999 6.613 1.00 51.31 H new ATOM 492 N ARG A 30 10.467 -2.202 5.572 1.00 15.11 N ATOM 493 CA ARG A 30 11.472 -3.276 5.481 1.00 64.45 C ATOM 494 C ARG A 30 11.501 -3.940 4.072 1.00 43.25 C ATOM 495 O ARG A 30 10.458 -4.162 3.436 1.00 51.00 O ATOM 496 CB ARG A 30 11.180 -4.346 6.565 1.00 74.43 C ATOM 497 CG ARG A 30 9.728 -4.882 6.529 1.00 11.22 C ATOM 498 CD ARG A 30 9.512 -6.120 7.412 1.00 53.45 C ATOM 499 NE ARG A 30 8.136 -6.628 7.296 1.00 2.24 N ATOM 500 CZ ARG A 30 7.681 -7.746 7.827 1.00 33.14 C ATOM 501 NH1 ARG A 30 8.467 -8.561 8.472 1.00 63.23 N ATOM 502 NH2 ARG A 30 6.425 -8.042 7.703 1.00 34.34 N ATOM 0 H ARG A 30 9.707 -2.410 6.220 1.00 15.11 H new ATOM 0 HA ARG A 30 12.453 -2.830 5.646 1.00 64.45 H new ATOM 0 HB2 ARG A 30 11.870 -5.180 6.436 1.00 74.43 H new ATOM 0 HB3 ARG A 30 11.377 -3.919 7.548 1.00 74.43 H new ATOM 0 HG2 ARG A 30 9.049 -4.092 6.851 1.00 11.22 H new ATOM 0 HG3 ARG A 30 9.465 -5.128 5.500 1.00 11.22 H new ATOM 0 HD2 ARG A 30 10.215 -6.901 7.124 1.00 53.45 H new ATOM 0 HD3 ARG A 30 9.722 -5.869 8.452 1.00 53.45 H new ATOM 0 HE ARG A 30 7.476 -6.066 6.758 1.00 2.24 H new ATOM 0 HH11 ARG A 30 9.457 -8.340 8.575 1.00 63.23 H new ATOM 0 HH12 ARG A 30 8.092 -9.420 8.874 1.00 63.23 H new ATOM 0 HH21 ARG A 30 5.800 -7.413 7.199 1.00 34.34 H new ATOM 0 HH22 ARG A 30 6.062 -8.904 8.109 1.00 34.34 H new ATOM 516 N ASP A 31 12.721 -4.217 3.597 1.00 63.40 N ATOM 517 CA ASP A 31 12.959 -5.049 2.405 1.00 50.31 C ATOM 518 C ASP A 31 12.500 -6.506 2.685 1.00 44.45 C ATOM 519 O ASP A 31 12.878 -7.091 3.708 1.00 4.44 O ATOM 520 CB ASP A 31 14.469 -4.995 2.039 1.00 43.55 C ATOM 521 CG ASP A 31 14.801 -5.691 0.705 1.00 43.32 C ATOM 522 OD1 ASP A 31 14.986 -6.926 0.692 1.00 41.40 O ATOM 523 OD2 ASP A 31 14.889 -5.001 -0.339 1.00 63.51 O ATOM 0 H ASP A 31 13.577 -3.870 4.029 1.00 63.40 H new ATOM 0 HA ASP A 31 12.383 -4.670 1.561 1.00 50.31 H new ATOM 0 HB2 ASP A 31 14.785 -3.953 1.985 1.00 43.55 H new ATOM 0 HB3 ASP A 31 15.046 -5.462 2.837 1.00 43.55 H new ATOM 528 N ILE A 32 11.672 -7.073 1.791 1.00 53.13 N ATOM 529 CA ILE A 32 11.168 -8.463 1.918 1.00 64.10 C ATOM 530 C ILE A 32 11.895 -9.385 0.904 1.00 13.40 C ATOM 531 O ILE A 32 12.178 -8.978 -0.228 1.00 10.34 O ATOM 532 CB ILE A 32 9.598 -8.520 1.715 1.00 65.34 C ATOM 533 CG1 ILE A 32 8.856 -7.713 2.843 1.00 42.23 C ATOM 534 CG2 ILE A 32 9.062 -9.977 1.622 1.00 23.13 C ATOM 535 CD1 ILE A 32 7.329 -7.717 2.740 1.00 4.52 C ATOM 0 H ILE A 32 11.331 -6.588 0.961 1.00 53.13 H new ATOM 0 HA ILE A 32 11.381 -8.819 2.926 1.00 64.10 H new ATOM 0 HB ILE A 32 9.385 -8.047 0.757 1.00 65.34 H new ATOM 0 HG12 ILE A 32 9.141 -8.124 3.811 1.00 42.23 H new ATOM 0 HG13 ILE A 32 9.204 -6.680 2.820 1.00 42.23 H new ATOM 0 HG21 ILE A 32 7.981 -9.959 1.483 1.00 23.13 H new ATOM 0 HG22 ILE A 32 9.528 -10.483 0.776 1.00 23.13 H new ATOM 0 HG23 ILE A 32 9.301 -10.512 2.541 1.00 23.13 H new ATOM 0 HD11 ILE A 32 6.907 -7.136 3.560 1.00 4.52 H new ATOM 0 HD12 ILE A 32 7.027 -7.276 1.790 1.00 4.52 H new ATOM 0 HD13 ILE A 32 6.963 -8.742 2.797 1.00 4.52 H new ATOM 547 N ALA A 33 12.178 -10.629 1.344 1.00 74.00 N ATOM 548 CA ALA A 33 12.883 -11.648 0.540 1.00 2.33 C ATOM 549 C ALA A 33 12.072 -12.028 -0.733 1.00 12.44 C ATOM 550 O ALA A 33 10.914 -12.419 -0.613 1.00 54.42 O ATOM 551 CB ALA A 33 13.158 -12.882 1.407 1.00 4.10 C ATOM 0 H ALA A 33 11.921 -10.957 2.275 1.00 74.00 H new ATOM 0 HA ALA A 33 13.832 -11.232 0.202 1.00 2.33 H new ATOM 0 HB1 ALA A 33 13.678 -13.634 0.814 1.00 4.10 H new ATOM 0 HB2 ALA A 33 13.777 -12.598 2.258 1.00 4.10 H new ATOM 0 HB3 ALA A 33 12.214 -13.292 1.766 1.00 4.10 H new ATOM 557 N PRO A 34 12.673 -11.909 -1.964 1.00 21.14 N ATOM 558 CA PRO A 34 11.939 -12.073 -3.265 1.00 75.43 C ATOM 559 C PRO A 34 11.184 -13.428 -3.447 1.00 72.44 C ATOM 560 O PRO A 34 10.140 -13.472 -4.112 1.00 51.23 O ATOM 561 CB PRO A 34 13.062 -11.913 -4.322 1.00 14.43 C ATOM 562 CG PRO A 34 14.114 -11.097 -3.633 1.00 21.12 C ATOM 563 CD PRO A 34 14.108 -11.577 -2.199 1.00 25.54 C ATOM 0 HA PRO A 34 11.130 -11.346 -3.340 1.00 75.43 H new ATOM 0 HB2 PRO A 34 13.453 -12.881 -4.635 1.00 14.43 H new ATOM 0 HB3 PRO A 34 12.695 -11.412 -5.218 1.00 14.43 H new ATOM 0 HG2 PRO A 34 15.091 -11.243 -4.094 1.00 21.12 H new ATOM 0 HG3 PRO A 34 13.889 -10.032 -3.693 1.00 21.12 H new ATOM 0 HD2 PRO A 34 14.751 -12.446 -2.061 1.00 25.54 H new ATOM 0 HD3 PRO A 34 14.462 -10.807 -1.514 1.00 25.54 H new ATOM 571 N TYR A 35 11.719 -14.527 -2.868 1.00 22.14 N ATOM 572 CA TYR A 35 11.058 -15.861 -2.926 1.00 32.44 C ATOM 573 C TYR A 35 9.810 -15.909 -2.007 1.00 53.52 C ATOM 574 O TYR A 35 8.807 -16.542 -2.343 1.00 60.44 O ATOM 575 CB TYR A 35 12.056 -17.013 -2.590 1.00 12.45 C ATOM 576 CG TYR A 35 12.544 -17.087 -1.126 1.00 15.10 C ATOM 577 CD1 TYR A 35 13.499 -16.195 -0.630 1.00 53.51 C ATOM 578 CD2 TYR A 35 12.063 -18.069 -0.247 1.00 55.34 C ATOM 579 CE1 TYR A 35 13.949 -16.279 0.674 1.00 23.43 C ATOM 580 CE2 TYR A 35 12.512 -18.149 1.058 1.00 41.25 C ATOM 581 CZ TYR A 35 13.455 -17.255 1.514 1.00 64.53 C ATOM 582 OH TYR A 35 13.907 -17.336 2.816 1.00 33.40 O ATOM 0 H TYR A 35 12.602 -14.522 -2.357 1.00 22.14 H new ATOM 0 HA TYR A 35 10.721 -16.014 -3.951 1.00 32.44 H new ATOM 0 HB2 TYR A 35 11.582 -17.962 -2.841 1.00 12.45 H new ATOM 0 HB3 TYR A 35 12.927 -16.911 -3.237 1.00 12.45 H new ATOM 0 HD1 TYR A 35 13.893 -15.426 -1.278 1.00 53.51 H new ATOM 0 HD2 TYR A 35 11.327 -18.777 -0.597 1.00 55.34 H new ATOM 0 HE1 TYR A 35 14.688 -15.580 1.036 1.00 23.43 H new ATOM 0 HE2 TYR A 35 12.124 -18.911 1.718 1.00 41.25 H new ATOM 0 HH TYR A 35 13.458 -18.077 3.273 1.00 33.40 H new ATOM 592 N ILE A 36 9.897 -15.217 -0.850 1.00 14.20 N ATOM 593 CA ILE A 36 8.759 -15.017 0.084 1.00 73.43 C ATOM 594 C ILE A 36 7.670 -14.139 -0.573 1.00 42.42 C ATOM 595 O ILE A 36 6.476 -14.441 -0.478 1.00 54.10 O ATOM 596 CB ILE A 36 9.266 -14.389 1.443 1.00 52.55 C ATOM 597 CG1 ILE A 36 10.090 -15.452 2.241 1.00 63.04 C ATOM 598 CG2 ILE A 36 8.113 -13.791 2.302 1.00 41.42 C ATOM 599 CD1 ILE A 36 10.759 -14.940 3.504 1.00 71.30 C ATOM 0 H ILE A 36 10.761 -14.778 -0.533 1.00 14.20 H new ATOM 0 HA ILE A 36 8.313 -15.986 0.310 1.00 73.43 H new ATOM 0 HB ILE A 36 9.914 -13.548 1.198 1.00 52.55 H new ATOM 0 HG12 ILE A 36 9.427 -16.275 2.509 1.00 63.04 H new ATOM 0 HG13 ILE A 36 10.857 -15.861 1.584 1.00 63.04 H new ATOM 0 HG21 ILE A 36 8.523 -13.375 3.222 1.00 41.42 H new ATOM 0 HG22 ILE A 36 7.611 -13.004 1.740 1.00 41.42 H new ATOM 0 HG23 ILE A 36 7.397 -14.575 2.546 1.00 41.42 H new ATOM 0 HD11 ILE A 36 11.304 -15.754 3.982 1.00 71.30 H new ATOM 0 HD12 ILE A 36 11.453 -14.139 3.249 1.00 71.30 H new ATOM 0 HD13 ILE A 36 10.001 -14.559 4.189 1.00 71.30 H new ATOM 611 N ALA A 37 8.120 -13.086 -1.281 1.00 22.04 N ATOM 612 CA ALA A 37 7.252 -12.196 -2.084 1.00 24.51 C ATOM 613 C ALA A 37 6.448 -12.986 -3.145 1.00 23.42 C ATOM 614 O ALA A 37 5.325 -12.615 -3.492 1.00 72.12 O ATOM 615 CB ALA A 37 8.119 -11.128 -2.766 1.00 22.32 C ATOM 0 H ALA A 37 9.105 -12.824 -1.314 1.00 22.04 H new ATOM 0 HA ALA A 37 6.533 -11.722 -1.416 1.00 24.51 H new ATOM 0 HB1 ALA A 37 7.485 -10.469 -3.359 1.00 22.32 H new ATOM 0 HB2 ALA A 37 8.640 -10.544 -2.008 1.00 22.32 H new ATOM 0 HB3 ALA A 37 8.848 -11.612 -3.416 1.00 22.32 H new ATOM 621 N GLN A 38 7.052 -14.094 -3.627 1.00 13.51 N ATOM 622 CA GLN A 38 6.457 -14.959 -4.660 1.00 30.41 C ATOM 623 C GLN A 38 5.333 -15.846 -4.060 1.00 24.32 C ATOM 624 O GLN A 38 4.187 -15.731 -4.464 1.00 24.12 O ATOM 625 CB GLN A 38 7.559 -15.836 -5.347 1.00 70.34 C ATOM 626 CG GLN A 38 7.320 -16.126 -6.848 1.00 52.50 C ATOM 627 CD GLN A 38 6.094 -16.989 -7.181 1.00 14.34 C ATOM 628 OE1 GLN A 38 5.725 -17.901 -6.447 1.00 73.22 O ATOM 629 NE2 GLN A 38 5.435 -16.680 -8.284 1.00 20.11 N ATOM 0 H GLN A 38 7.967 -14.411 -3.308 1.00 13.51 H new ATOM 0 HA GLN A 38 6.008 -14.321 -5.421 1.00 30.41 H new ATOM 0 HB2 GLN A 38 8.521 -15.336 -5.237 1.00 70.34 H new ATOM 0 HB3 GLN A 38 7.631 -16.785 -4.816 1.00 70.34 H new ATOM 0 HG2 GLN A 38 7.222 -15.174 -7.370 1.00 52.50 H new ATOM 0 HG3 GLN A 38 8.206 -16.619 -7.248 1.00 52.50 H new ATOM 0 HE21 GLN A 38 5.762 -15.917 -8.877 1.00 20.11 H new ATOM 0 HE22 GLN A 38 4.599 -17.204 -8.542 1.00 20.11 H new ATOM 638 N ASN A 39 5.665 -16.722 -3.080 1.00 42.22 N ATOM 639 CA ASN A 39 4.682 -17.706 -2.531 1.00 34.44 C ATOM 640 C ASN A 39 3.470 -17.034 -1.826 1.00 63.14 C ATOM 641 O ASN A 39 2.395 -17.638 -1.731 1.00 22.12 O ATOM 642 CB ASN A 39 5.350 -18.746 -1.589 1.00 3.22 C ATOM 643 CG ASN A 39 6.104 -18.135 -0.407 1.00 13.10 C ATOM 644 OD1 ASN A 39 7.409 -18.016 -0.518 1.00 45.34 O flip ATOM 645 ND2 ASN A 39 5.517 -17.799 0.612 1.00 52.01 N flip ATOM 0 H ASN A 39 6.591 -16.773 -2.654 1.00 42.22 H new ATOM 0 HA ASN A 39 4.295 -18.235 -3.402 1.00 34.44 H new ATOM 0 HB2 ASN A 39 4.582 -19.418 -1.206 1.00 3.22 H new ATOM 0 HB3 ASN A 39 6.043 -19.353 -2.171 1.00 3.22 H new ATOM 0 HD21 ASN A 39 4.504 -17.901 0.674 1.00 52.01 H new ATOM 0 HD22 ASN A 39 6.040 -17.417 1.400 1.00 52.01 H new ATOM 652 N GLU A 40 3.661 -15.799 -1.317 1.00 54.33 N ATOM 653 CA GLU A 40 2.558 -14.979 -0.759 1.00 23.21 C ATOM 654 C GLU A 40 1.741 -14.305 -1.898 1.00 62.54 C ATOM 655 O GLU A 40 0.517 -14.468 -1.986 1.00 24.43 O ATOM 656 CB GLU A 40 3.126 -13.896 0.211 1.00 44.12 C ATOM 657 CG GLU A 40 3.868 -14.443 1.455 1.00 73.32 C ATOM 658 CD GLU A 40 2.964 -15.266 2.392 1.00 54.31 C ATOM 659 OE1 GLU A 40 2.051 -14.676 3.011 1.00 72.33 O ATOM 660 OE2 GLU A 40 3.154 -16.503 2.510 1.00 32.13 O ATOM 0 H GLU A 40 4.573 -15.343 -1.280 1.00 54.33 H new ATOM 0 HA GLU A 40 1.891 -15.637 -0.201 1.00 23.21 H new ATOM 0 HB2 GLU A 40 3.810 -13.256 -0.347 1.00 44.12 H new ATOM 0 HB3 GLU A 40 2.303 -13.266 0.548 1.00 44.12 H new ATOM 0 HG2 GLU A 40 4.702 -15.064 1.128 1.00 73.32 H new ATOM 0 HG3 GLU A 40 4.292 -13.608 2.012 1.00 73.32 H new ATOM 667 N PHE A 41 2.447 -13.566 -2.777 1.00 62.41 N ATOM 668 CA PHE A 41 1.827 -12.768 -3.870 1.00 5.12 C ATOM 669 C PHE A 41 2.206 -13.329 -5.275 1.00 50.31 C ATOM 670 O PHE A 41 2.787 -12.616 -6.093 1.00 12.24 O ATOM 671 CB PHE A 41 2.277 -11.276 -3.732 1.00 4.22 C ATOM 672 CG PHE A 41 1.941 -10.620 -2.386 1.00 75.03 C ATOM 673 CD1 PHE A 41 0.693 -10.030 -2.172 1.00 3.33 C ATOM 674 CD2 PHE A 41 2.871 -10.586 -1.335 1.00 14.22 C ATOM 675 CE1 PHE A 41 0.390 -9.433 -0.964 1.00 33.34 C ATOM 676 CE2 PHE A 41 2.562 -9.987 -0.129 1.00 30.31 C ATOM 677 CZ PHE A 41 1.323 -9.411 0.056 1.00 41.21 C ATOM 0 H PHE A 41 3.465 -13.501 -2.755 1.00 62.41 H new ATOM 0 HA PHE A 41 0.743 -12.834 -3.780 1.00 5.12 H new ATOM 0 HB2 PHE A 41 3.355 -11.221 -3.887 1.00 4.22 H new ATOM 0 HB3 PHE A 41 1.810 -10.696 -4.528 1.00 4.22 H new ATOM 0 HD1 PHE A 41 -0.044 -10.041 -2.961 1.00 3.33 H new ATOM 0 HD2 PHE A 41 3.844 -11.035 -1.471 1.00 14.22 H new ATOM 0 HE1 PHE A 41 -0.580 -8.981 -0.816 1.00 33.34 H new ATOM 0 HE2 PHE A 41 3.290 -9.970 0.668 1.00 30.31 H new ATOM 0 HZ PHE A 41 1.081 -8.942 0.998 1.00 41.21 H new ATOM 687 N SER A 42 1.846 -14.603 -5.563 1.00 71.25 N ATOM 688 CA SER A 42 2.250 -15.284 -6.837 1.00 13.12 C ATOM 689 C SER A 42 1.466 -14.747 -8.053 1.00 61.22 C ATOM 690 O SER A 42 2.064 -14.340 -9.058 1.00 30.32 O ATOM 691 CB SER A 42 2.068 -16.821 -6.722 1.00 24.11 C ATOM 692 OG SER A 42 0.708 -17.178 -6.511 1.00 11.05 O ATOM 0 H SER A 42 1.282 -15.183 -4.942 1.00 71.25 H new ATOM 0 HA SER A 42 3.305 -15.062 -6.997 1.00 13.12 H new ATOM 0 HB2 SER A 42 2.432 -17.299 -7.631 1.00 24.11 H new ATOM 0 HB3 SER A 42 2.675 -17.198 -5.899 1.00 24.11 H new ATOM 0 HG SER A 42 0.632 -18.153 -6.445 1.00 11.05 H new ATOM 698 N GLY A 43 0.129 -14.711 -7.930 1.00 60.43 N ATOM 699 CA GLY A 43 -0.751 -14.199 -8.991 1.00 11.52 C ATOM 700 C GLY A 43 -0.718 -12.672 -9.089 1.00 32.53 C ATOM 701 O GLY A 43 -0.875 -12.098 -10.173 1.00 2.31 O ATOM 0 H GLY A 43 -0.368 -15.033 -7.100 1.00 60.43 H new ATOM 0 HA2 GLY A 43 -0.451 -14.628 -9.947 1.00 11.52 H new ATOM 0 HA3 GLY A 43 -1.773 -14.526 -8.801 1.00 11.52 H new ATOM 705 N TRP A 44 -0.502 -12.030 -7.932 1.00 0.31 N ATOM 706 CA TRP A 44 -0.423 -10.561 -7.800 1.00 73.42 C ATOM 707 C TRP A 44 0.878 -10.004 -8.464 1.00 22.01 C ATOM 708 O TRP A 44 0.868 -8.922 -9.065 1.00 43.10 O ATOM 709 CB TRP A 44 -0.517 -10.209 -6.280 1.00 75.00 C ATOM 710 CG TRP A 44 -0.929 -8.783 -5.954 1.00 72.52 C ATOM 711 CD1 TRP A 44 -0.300 -7.911 -5.103 1.00 32.23 C ATOM 712 CD2 TRP A 44 -2.088 -8.079 -6.447 1.00 64.24 C ATOM 713 NE1 TRP A 44 -0.973 -6.718 -5.067 1.00 72.33 N ATOM 714 CE2 TRP A 44 -2.071 -6.799 -5.877 1.00 65.32 C ATOM 715 CE3 TRP A 44 -3.127 -8.403 -7.326 1.00 74.14 C ATOM 716 CZ2 TRP A 44 -3.047 -5.850 -6.150 1.00 33.34 C ATOM 717 CZ3 TRP A 44 -4.098 -7.456 -7.590 1.00 23.34 C ATOM 718 CH2 TRP A 44 -4.046 -6.190 -7.011 1.00 33.41 C ATOM 0 H TRP A 44 -0.375 -12.520 -7.047 1.00 0.31 H new ATOM 0 HA TRP A 44 -1.250 -10.086 -8.327 1.00 73.42 H new ATOM 0 HB2 TRP A 44 -1.230 -10.889 -5.813 1.00 75.00 H new ATOM 0 HB3 TRP A 44 0.453 -10.400 -5.822 1.00 75.00 H new ATOM 0 HD1 TRP A 44 0.596 -8.132 -4.542 1.00 32.23 H new ATOM 0 HE1 TRP A 44 -0.698 -5.900 -4.523 1.00 72.33 H new ATOM 0 HE3 TRP A 44 -3.169 -9.377 -7.791 1.00 74.14 H new ATOM 0 HZ2 TRP A 44 -3.015 -4.872 -5.693 1.00 33.34 H new ATOM 0 HZ3 TRP A 44 -4.911 -7.702 -8.257 1.00 23.34 H new ATOM 0 HH2 TRP A 44 -4.811 -5.466 -7.249 1.00 33.41 H new ATOM 729 N GLU A 45 1.992 -10.764 -8.328 1.00 0.13 N ATOM 730 CA GLU A 45 3.265 -10.523 -9.074 1.00 4.42 C ATOM 731 C GLU A 45 3.098 -10.805 -10.595 1.00 23.42 C ATOM 732 O GLU A 45 3.589 -10.038 -11.434 1.00 53.21 O ATOM 733 CB GLU A 45 4.398 -11.425 -8.492 1.00 53.43 C ATOM 734 CG GLU A 45 5.772 -11.327 -9.206 1.00 72.03 C ATOM 735 CD GLU A 45 6.858 -12.226 -8.574 1.00 21.43 C ATOM 736 OE1 GLU A 45 6.904 -13.445 -8.897 1.00 54.20 O ATOM 737 OE2 GLU A 45 7.674 -11.726 -7.759 1.00 30.40 O ATOM 0 H GLU A 45 2.040 -11.565 -7.698 1.00 0.13 H new ATOM 0 HA GLU A 45 3.531 -9.473 -8.953 1.00 4.42 H new ATOM 0 HB2 GLU A 45 4.537 -11.170 -7.441 1.00 53.43 H new ATOM 0 HB3 GLU A 45 4.065 -12.462 -8.527 1.00 53.43 H new ATOM 0 HG2 GLU A 45 5.649 -11.601 -10.254 1.00 72.03 H new ATOM 0 HG3 GLU A 45 6.111 -10.291 -9.185 1.00 72.03 H new ATOM 744 N SER A 46 2.381 -11.912 -10.916 1.00 40.54 N ATOM 745 CA SER A 46 2.186 -12.423 -12.309 1.00 23.41 C ATOM 746 C SER A 46 1.627 -11.350 -13.281 1.00 23.44 C ATOM 747 O SER A 46 2.223 -11.085 -14.333 1.00 65.24 O ATOM 748 CB SER A 46 1.240 -13.655 -12.293 1.00 11.23 C ATOM 749 OG SER A 46 0.963 -14.138 -13.602 1.00 1.15 O ATOM 0 H SER A 46 1.915 -12.485 -10.212 1.00 40.54 H new ATOM 0 HA SER A 46 3.172 -12.705 -12.679 1.00 23.41 H new ATOM 0 HB2 SER A 46 1.693 -14.451 -11.702 1.00 11.23 H new ATOM 0 HB3 SER A 46 0.305 -13.386 -11.801 1.00 11.23 H new ATOM 0 HG SER A 46 0.366 -14.913 -13.545 1.00 1.15 H new ATOM 755 N LYS A 47 0.486 -10.741 -12.902 1.00 61.44 N ATOM 756 CA LYS A 47 -0.187 -9.680 -13.699 1.00 41.20 C ATOM 757 C LYS A 47 0.694 -8.415 -13.906 1.00 3.31 C ATOM 758 O LYS A 47 0.621 -7.769 -14.967 1.00 34.51 O ATOM 759 CB LYS A 47 -1.535 -9.286 -13.029 1.00 55.10 C ATOM 760 CG LYS A 47 -1.450 -8.982 -11.511 1.00 32.04 C ATOM 761 CD LYS A 47 -2.691 -8.243 -10.965 1.00 54.43 C ATOM 762 CE LYS A 47 -4.025 -8.924 -11.296 1.00 13.41 C ATOM 763 NZ LYS A 47 -5.175 -8.108 -10.837 1.00 63.54 N ATOM 0 H LYS A 47 -0.001 -10.967 -12.034 1.00 61.44 H new ATOM 0 HA LYS A 47 -0.368 -10.100 -14.689 1.00 41.20 H new ATOM 0 HB2 LYS A 47 -1.933 -8.408 -13.538 1.00 55.10 H new ATOM 0 HB3 LYS A 47 -2.249 -10.095 -13.182 1.00 55.10 H new ATOM 0 HG2 LYS A 47 -1.325 -9.918 -10.967 1.00 32.04 H new ATOM 0 HG3 LYS A 47 -0.563 -8.379 -11.317 1.00 32.04 H new ATOM 0 HD2 LYS A 47 -2.600 -8.154 -9.882 1.00 54.43 H new ATOM 0 HD3 LYS A 47 -2.703 -7.230 -11.368 1.00 54.43 H new ATOM 0 HE2 LYS A 47 -4.097 -9.085 -12.372 1.00 13.41 H new ATOM 0 HE3 LYS A 47 -4.062 -9.906 -10.824 1.00 13.41 H new ATOM 0 HZ1 LYS A 47 -5.917 -8.113 -11.566 1.00 63.54 H new ATOM 0 HZ2 LYS A 47 -5.554 -8.507 -9.954 1.00 63.54 H new ATOM 0 HZ3 LYS A 47 -4.862 -7.131 -10.669 1.00 63.54 H new ATOM 777 N LEU A 48 1.514 -8.060 -12.884 1.00 14.13 N ATOM 778 CA LEU A 48 2.455 -6.919 -12.983 1.00 31.31 C ATOM 779 C LEU A 48 3.624 -7.255 -13.941 1.00 44.53 C ATOM 780 O LEU A 48 4.112 -6.374 -14.662 1.00 13.12 O ATOM 781 CB LEU A 48 3.010 -6.498 -11.589 1.00 14.45 C ATOM 782 CG LEU A 48 3.835 -5.158 -11.585 1.00 43.11 C ATOM 783 CD1 LEU A 48 2.946 -3.947 -11.961 1.00 54.04 C ATOM 784 CD2 LEU A 48 4.584 -4.939 -10.250 1.00 62.43 C ATOM 0 H LEU A 48 1.541 -8.546 -11.987 1.00 14.13 H new ATOM 0 HA LEU A 48 1.894 -6.076 -13.386 1.00 31.31 H new ATOM 0 HB2 LEU A 48 2.174 -6.396 -10.897 1.00 14.45 H new ATOM 0 HB3 LEU A 48 3.643 -7.299 -11.208 1.00 14.45 H new ATOM 0 HG LEU A 48 4.601 -5.248 -12.356 1.00 43.11 H new ATOM 0 HD11 LEU A 48 3.546 -3.037 -11.949 1.00 54.04 H new ATOM 0 HD12 LEU A 48 2.532 -4.095 -12.958 1.00 54.04 H new ATOM 0 HD13 LEU A 48 2.133 -3.855 -11.241 1.00 54.04 H new ATOM 0 HD21 LEU A 48 5.139 -4.002 -10.294 1.00 62.43 H new ATOM 0 HD22 LEU A 48 3.865 -4.897 -9.432 1.00 62.43 H new ATOM 0 HD23 LEU A 48 5.277 -5.764 -10.082 1.00 62.43 H new ATOM 796 N GLY A 49 4.048 -8.541 -13.958 1.00 13.13 N ATOM 797 CA GLY A 49 5.109 -9.008 -14.861 1.00 72.25 C ATOM 798 C GLY A 49 4.695 -8.972 -16.333 1.00 64.25 C ATOM 799 O GLY A 49 5.524 -8.710 -17.204 1.00 1.11 O ATOM 0 H GLY A 49 3.667 -9.269 -13.353 1.00 13.13 H new ATOM 0 HA2 GLY A 49 5.996 -8.389 -14.723 1.00 72.25 H new ATOM 0 HA3 GLY A 49 5.386 -10.027 -14.591 1.00 72.25 H new ATOM 803 N ASN A 50 3.393 -9.225 -16.594 1.00 14.04 N ATOM 804 CA ASN A 50 2.782 -9.132 -17.948 1.00 75.23 C ATOM 805 C ASN A 50 2.596 -7.653 -18.409 1.00 14.40 C ATOM 806 O ASN A 50 2.301 -7.393 -19.581 1.00 54.24 O ATOM 807 CB ASN A 50 1.410 -9.856 -17.956 1.00 63.55 C ATOM 808 CG ASN A 50 1.479 -11.320 -17.509 1.00 34.03 C ATOM 809 OD1 ASN A 50 2.484 -12.000 -17.696 1.00 23.23 O ATOM 810 ND2 ASN A 50 0.407 -11.821 -16.919 1.00 62.30 N ATOM 0 H ASN A 50 2.729 -9.501 -15.870 1.00 14.04 H new ATOM 0 HA ASN A 50 3.464 -9.614 -18.649 1.00 75.23 H new ATOM 0 HB2 ASN A 50 0.723 -9.319 -17.303 1.00 63.55 H new ATOM 0 HB3 ASN A 50 0.993 -9.813 -18.962 1.00 63.55 H new ATOM 0 HD21 ASN A 50 0.403 -12.792 -16.608 1.00 62.30 H new ATOM 0 HD22 ASN A 50 -0.416 -11.236 -16.775 1.00 62.30 H new ATOM 817 N GLY A 51 2.797 -6.706 -17.466 1.00 4.32 N ATOM 818 CA GLY A 51 2.628 -5.261 -17.716 1.00 10.44 C ATOM 819 C GLY A 51 1.209 -4.823 -18.114 1.00 50.33 C ATOM 820 O GLY A 51 1.042 -3.870 -18.885 1.00 51.34 O ATOM 0 H GLY A 51 3.081 -6.924 -16.511 1.00 4.32 H new ATOM 0 HA2 GLY A 51 2.919 -4.717 -16.817 1.00 10.44 H new ATOM 0 HA3 GLY A 51 3.317 -4.963 -18.506 1.00 10.44 H new ATOM 824 N GLU A 52 0.191 -5.521 -17.583 1.00 1.40 N ATOM 825 CA GLU A 52 -1.234 -5.201 -17.844 1.00 31.41 C ATOM 826 C GLU A 52 -1.710 -4.079 -16.898 1.00 3.02 C ATOM 827 O GLU A 52 -2.132 -2.999 -17.326 1.00 32.30 O ATOM 828 CB GLU A 52 -2.104 -6.465 -17.610 1.00 5.53 C ATOM 829 CG GLU A 52 -1.655 -7.718 -18.380 1.00 73.13 C ATOM 830 CD GLU A 52 -2.452 -8.971 -17.979 1.00 23.40 C ATOM 831 OE1 GLU A 52 -3.553 -9.187 -18.536 1.00 32.54 O ATOM 832 OE2 GLU A 52 -1.997 -9.723 -17.080 1.00 73.22 O ATOM 0 H GLU A 52 0.325 -6.320 -16.963 1.00 1.40 H new ATOM 0 HA GLU A 52 -1.335 -4.868 -18.877 1.00 31.41 H new ATOM 0 HB2 GLU A 52 -2.106 -6.694 -16.544 1.00 5.53 H new ATOM 0 HB3 GLU A 52 -3.133 -6.236 -17.888 1.00 5.53 H new ATOM 0 HG2 GLU A 52 -1.771 -7.544 -19.450 1.00 73.13 H new ATOM 0 HG3 GLU A 52 -0.594 -7.892 -18.198 1.00 73.13 H new ATOM 839 N ILE A 53 -1.617 -4.393 -15.594 1.00 54.24 N ATOM 840 CA ILE A 53 -2.064 -3.504 -14.504 1.00 24.33 C ATOM 841 C ILE A 53 -1.114 -2.302 -14.305 1.00 42.34 C ATOM 842 O ILE A 53 -0.056 -2.203 -14.939 1.00 11.14 O ATOM 843 CB ILE A 53 -2.204 -4.279 -13.138 1.00 33.14 C ATOM 844 CG1 ILE A 53 -0.799 -4.703 -12.561 1.00 34.21 C ATOM 845 CG2 ILE A 53 -3.130 -5.501 -13.320 1.00 74.35 C ATOM 846 CD1 ILE A 53 -0.795 -5.125 -11.096 1.00 34.51 C ATOM 0 H ILE A 53 -1.227 -5.276 -15.263 1.00 54.24 H new ATOM 0 HA ILE A 53 -3.042 -3.131 -14.807 1.00 24.33 H new ATOM 0 HB ILE A 53 -2.653 -3.607 -12.407 1.00 33.14 H new ATOM 0 HG12 ILE A 53 -0.413 -5.527 -13.160 1.00 34.21 H new ATOM 0 HG13 ILE A 53 -0.108 -3.869 -12.683 1.00 34.21 H new ATOM 0 HG21 ILE A 53 -3.222 -6.032 -12.373 1.00 74.35 H new ATOM 0 HG22 ILE A 53 -4.115 -5.166 -13.646 1.00 74.35 H new ATOM 0 HG23 ILE A 53 -2.708 -6.169 -14.071 1.00 74.35 H new ATOM 0 HD11 ILE A 53 0.218 -5.397 -10.798 1.00 34.51 H new ATOM 0 HD12 ILE A 53 -1.145 -4.298 -10.478 1.00 34.51 H new ATOM 0 HD13 ILE A 53 -1.455 -5.982 -10.963 1.00 34.51 H new ATOM 858 N THR A 54 -1.495 -1.408 -13.390 1.00 22.05 N ATOM 859 CA THR A 54 -0.626 -0.316 -12.910 1.00 62.02 C ATOM 860 C THR A 54 -0.007 -0.722 -11.558 1.00 53.24 C ATOM 861 O THR A 54 -0.600 -1.528 -10.823 1.00 31.20 O ATOM 862 CB THR A 54 -1.419 1.030 -12.754 1.00 61.15 C ATOM 863 OG1 THR A 54 -0.619 1.990 -12.053 1.00 21.25 O ATOM 864 CG2 THR A 54 -2.766 0.859 -12.022 1.00 61.30 C ATOM 0 H THR A 54 -2.418 -1.416 -12.955 1.00 22.05 H new ATOM 0 HA THR A 54 0.159 -0.151 -13.648 1.00 62.02 H new ATOM 0 HB THR A 54 -1.641 1.378 -13.763 1.00 61.15 H new ATOM 0 HG1 THR A 54 -1.090 2.849 -12.022 1.00 21.25 H new ATOM 0 HG21 THR A 54 -3.264 1.825 -11.947 1.00 61.30 H new ATOM 0 HG22 THR A 54 -3.398 0.167 -12.579 1.00 61.30 H new ATOM 0 HG23 THR A 54 -2.589 0.463 -11.022 1.00 61.30 H new ATOM 872 N VAL A 55 1.182 -0.172 -11.217 1.00 31.13 N ATOM 873 CA VAL A 55 1.802 -0.425 -9.896 1.00 53.44 C ATOM 874 C VAL A 55 0.908 0.156 -8.766 1.00 41.43 C ATOM 875 O VAL A 55 0.865 -0.400 -7.682 1.00 74.13 O ATOM 876 CB VAL A 55 3.278 0.122 -9.809 1.00 75.21 C ATOM 877 CG1 VAL A 55 3.899 -0.080 -8.397 1.00 32.41 C ATOM 878 CG2 VAL A 55 4.167 -0.534 -10.898 1.00 23.15 C ATOM 0 H VAL A 55 1.723 0.440 -11.827 1.00 31.13 H new ATOM 0 HA VAL A 55 1.872 -1.505 -9.764 1.00 53.44 H new ATOM 0 HB VAL A 55 3.235 1.196 -9.989 1.00 75.21 H new ATOM 0 HG11 VAL A 55 4.916 0.313 -8.387 1.00 32.41 H new ATOM 0 HG12 VAL A 55 3.299 0.449 -7.657 1.00 32.41 H new ATOM 0 HG13 VAL A 55 3.918 -1.143 -8.157 1.00 32.41 H new ATOM 0 HG21 VAL A 55 5.182 -0.144 -10.822 1.00 23.15 H new ATOM 0 HG22 VAL A 55 4.181 -1.614 -10.754 1.00 23.15 H new ATOM 0 HG23 VAL A 55 3.763 -0.305 -11.884 1.00 23.15 H new ATOM 888 N LYS A 56 0.176 1.259 -9.054 1.00 44.25 N ATOM 889 CA LYS A 56 -0.930 1.768 -8.191 1.00 22.41 C ATOM 890 C LYS A 56 -1.893 0.656 -7.687 1.00 15.33 C ATOM 891 O LYS A 56 -2.159 0.562 -6.481 1.00 33.41 O ATOM 892 CB LYS A 56 -1.710 2.874 -8.966 1.00 1.11 C ATOM 893 CG LYS A 56 -3.074 3.281 -8.357 1.00 21.31 C ATOM 894 CD LYS A 56 -3.574 4.681 -8.782 1.00 23.10 C ATOM 895 CE LYS A 56 -2.633 5.828 -8.324 1.00 63.53 C ATOM 896 NZ LYS A 56 -1.636 6.193 -9.359 1.00 54.32 N ATOM 0 H LYS A 56 0.331 1.824 -9.889 1.00 44.25 H new ATOM 0 HA LYS A 56 -0.477 2.184 -7.291 1.00 22.41 H new ATOM 0 HB2 LYS A 56 -1.081 3.762 -9.028 1.00 1.11 H new ATOM 0 HB3 LYS A 56 -1.876 2.529 -9.987 1.00 1.11 H new ATOM 0 HG2 LYS A 56 -3.821 2.540 -8.643 1.00 21.31 H new ATOM 0 HG3 LYS A 56 -2.996 3.252 -7.270 1.00 21.31 H new ATOM 0 HD2 LYS A 56 -3.673 4.711 -9.867 1.00 23.10 H new ATOM 0 HD3 LYS A 56 -4.568 4.847 -8.367 1.00 23.10 H new ATOM 0 HE2 LYS A 56 -3.230 6.705 -8.074 1.00 63.53 H new ATOM 0 HE3 LYS A 56 -2.114 5.526 -7.414 1.00 63.53 H new ATOM 0 HZ1 LYS A 56 -0.727 6.411 -8.904 1.00 54.32 H new ATOM 0 HZ2 LYS A 56 -1.511 5.397 -10.017 1.00 54.32 H new ATOM 0 HZ3 LYS A 56 -1.969 7.027 -9.883 1.00 54.32 H new ATOM 910 N GLU A 57 -2.395 -0.178 -8.622 1.00 43.03 N ATOM 911 CA GLU A 57 -3.274 -1.329 -8.282 1.00 15.34 C ATOM 912 C GLU A 57 -2.557 -2.302 -7.308 1.00 41.35 C ATOM 913 O GLU A 57 -3.142 -2.744 -6.310 1.00 75.24 O ATOM 914 CB GLU A 57 -3.720 -2.101 -9.552 1.00 2.25 C ATOM 915 CG GLU A 57 -4.807 -3.172 -9.282 1.00 22.43 C ATOM 916 CD GLU A 57 -5.092 -4.088 -10.480 1.00 73.23 C ATOM 917 OE1 GLU A 57 -5.562 -3.588 -11.526 1.00 44.24 O ATOM 918 OE2 GLU A 57 -4.850 -5.316 -10.381 1.00 62.13 O ATOM 0 H GLU A 57 -2.209 -0.080 -9.620 1.00 43.03 H new ATOM 0 HA GLU A 57 -4.161 -0.923 -7.796 1.00 15.34 H new ATOM 0 HB2 GLU A 57 -4.099 -1.389 -10.285 1.00 2.25 H new ATOM 0 HB3 GLU A 57 -2.850 -2.584 -9.997 1.00 2.25 H new ATOM 0 HG2 GLU A 57 -4.497 -3.784 -8.435 1.00 22.43 H new ATOM 0 HG3 GLU A 57 -5.731 -2.672 -8.992 1.00 22.43 H new ATOM 925 N PHE A 58 -1.260 -2.556 -7.591 1.00 62.34 N ATOM 926 CA PHE A 58 -0.411 -3.487 -6.816 1.00 11.11 C ATOM 927 C PHE A 58 -0.226 -2.984 -5.357 1.00 24.32 C ATOM 928 O PHE A 58 -0.336 -3.759 -4.399 1.00 52.13 O ATOM 929 CB PHE A 58 0.963 -3.644 -7.536 1.00 22.10 C ATOM 930 CG PHE A 58 1.949 -4.593 -6.850 1.00 61.55 C ATOM 931 CD1 PHE A 58 1.848 -5.972 -7.026 1.00 4.21 C ATOM 932 CD2 PHE A 58 2.970 -4.107 -6.019 1.00 72.33 C ATOM 933 CE1 PHE A 58 2.726 -6.833 -6.395 1.00 42.40 C ATOM 934 CE2 PHE A 58 3.843 -4.972 -5.389 1.00 51.11 C ATOM 935 CZ PHE A 58 3.719 -6.333 -5.576 1.00 71.40 C ATOM 0 H PHE A 58 -0.769 -2.117 -8.370 1.00 62.34 H new ATOM 0 HA PHE A 58 -0.898 -4.461 -6.762 1.00 11.11 H new ATOM 0 HB2 PHE A 58 0.786 -4.000 -8.551 1.00 22.10 H new ATOM 0 HB3 PHE A 58 1.427 -2.661 -7.620 1.00 22.10 H new ATOM 0 HD1 PHE A 58 1.074 -6.373 -7.664 1.00 4.21 H new ATOM 0 HD2 PHE A 58 3.074 -3.042 -5.870 1.00 72.33 H new ATOM 0 HE1 PHE A 58 2.635 -7.899 -6.543 1.00 42.40 H new ATOM 0 HE2 PHE A 58 4.622 -4.583 -4.750 1.00 51.11 H new ATOM 0 HZ PHE A 58 4.400 -7.009 -5.081 1.00 71.40 H new ATOM 945 N ILE A 59 0.019 -1.665 -5.229 1.00 63.24 N ATOM 946 CA ILE A 59 0.295 -0.977 -3.944 1.00 24.31 C ATOM 947 C ILE A 59 -0.944 -0.948 -3.030 1.00 2.52 C ATOM 948 O ILE A 59 -0.842 -1.216 -1.822 1.00 2.35 O ATOM 949 CB ILE A 59 0.830 0.485 -4.209 1.00 52.12 C ATOM 950 CG1 ILE A 59 2.183 0.426 -4.984 1.00 21.21 C ATOM 951 CG2 ILE A 59 0.962 1.327 -2.916 1.00 44.35 C ATOM 952 CD1 ILE A 59 3.261 -0.443 -4.352 1.00 32.03 C ATOM 0 H ILE A 59 0.032 -1.032 -6.029 1.00 63.24 H new ATOM 0 HA ILE A 59 1.066 -1.545 -3.423 1.00 24.31 H new ATOM 0 HB ILE A 59 0.086 0.994 -4.822 1.00 52.12 H new ATOM 0 HG12 ILE A 59 1.989 0.059 -5.992 1.00 21.21 H new ATOM 0 HG13 ILE A 59 2.570 1.440 -5.083 1.00 21.21 H new ATOM 0 HG21 ILE A 59 1.334 2.321 -3.165 1.00 44.35 H new ATOM 0 HG22 ILE A 59 -0.013 1.414 -2.437 1.00 44.35 H new ATOM 0 HG23 ILE A 59 1.658 0.839 -2.234 1.00 44.35 H new ATOM 0 HD11 ILE A 59 4.159 -0.415 -4.969 1.00 32.03 H new ATOM 0 HD12 ILE A 59 3.493 -0.067 -3.355 1.00 32.03 H new ATOM 0 HD13 ILE A 59 2.904 -1.470 -4.278 1.00 32.03 H new ATOM 964 N GLU A 60 -2.102 -0.585 -3.608 1.00 31.12 N ATOM 965 CA GLU A 60 -3.408 -0.692 -2.925 1.00 21.20 C ATOM 966 C GLU A 60 -3.652 -2.129 -2.386 1.00 52.24 C ATOM 967 O GLU A 60 -4.140 -2.303 -1.271 1.00 34.13 O ATOM 968 CB GLU A 60 -4.544 -0.258 -3.888 1.00 11.25 C ATOM 969 CG GLU A 60 -5.907 -0.029 -3.203 1.00 54.14 C ATOM 970 CD GLU A 60 -7.011 0.436 -4.168 1.00 30.35 C ATOM 971 OE1 GLU A 60 -6.874 1.531 -4.749 1.00 62.03 O ATOM 972 OE2 GLU A 60 -8.038 -0.268 -4.323 1.00 0.31 O ATOM 0 H GLU A 60 -2.162 -0.211 -4.555 1.00 31.12 H new ATOM 0 HA GLU A 60 -3.402 -0.023 -2.065 1.00 21.20 H new ATOM 0 HB2 GLU A 60 -4.245 0.661 -4.392 1.00 11.25 H new ATOM 0 HB3 GLU A 60 -4.662 -1.020 -4.658 1.00 11.25 H new ATOM 0 HG2 GLU A 60 -6.223 -0.955 -2.722 1.00 54.14 H new ATOM 0 HG3 GLU A 60 -5.788 0.715 -2.415 1.00 54.14 H new ATOM 979 N GLY A 61 -3.240 -3.141 -3.181 1.00 73.40 N ATOM 980 CA GLY A 61 -3.332 -4.555 -2.776 1.00 71.22 C ATOM 981 C GLY A 61 -2.426 -4.931 -1.588 1.00 75.11 C ATOM 982 O GLY A 61 -2.720 -5.886 -0.863 1.00 54.35 O ATOM 0 H GLY A 61 -2.840 -3.001 -4.109 1.00 73.40 H new ATOM 0 HA2 GLY A 61 -4.366 -4.780 -2.516 1.00 71.22 H new ATOM 0 HA3 GLY A 61 -3.074 -5.183 -3.629 1.00 71.22 H new ATOM 986 N LEU A 62 -1.321 -4.174 -1.394 1.00 44.35 N ATOM 987 CA LEU A 62 -0.382 -4.370 -0.255 1.00 23.44 C ATOM 988 C LEU A 62 -0.979 -3.819 1.061 1.00 41.40 C ATOM 989 O LEU A 62 -0.770 -4.389 2.134 1.00 71.40 O ATOM 990 CB LEU A 62 0.988 -3.691 -0.545 1.00 25.42 C ATOM 991 CG LEU A 62 1.687 -4.079 -1.888 1.00 25.42 C ATOM 992 CD1 LEU A 62 3.090 -3.433 -2.008 1.00 3.43 C ATOM 993 CD2 LEU A 62 1.725 -5.616 -2.088 1.00 43.02 C ATOM 0 H LEU A 62 -1.052 -3.412 -2.017 1.00 44.35 H new ATOM 0 HA LEU A 62 -0.224 -5.442 -0.139 1.00 23.44 H new ATOM 0 HB2 LEU A 62 0.842 -2.611 -0.536 1.00 25.42 H new ATOM 0 HB3 LEU A 62 1.667 -3.928 0.274 1.00 25.42 H new ATOM 0 HG LEU A 62 1.085 -3.673 -2.701 1.00 25.42 H new ATOM 0 HD11 LEU A 62 3.545 -3.725 -2.954 1.00 3.43 H new ATOM 0 HD12 LEU A 62 2.995 -2.348 -1.971 1.00 3.43 H new ATOM 0 HD13 LEU A 62 3.718 -3.771 -1.184 1.00 3.43 H new ATOM 0 HD21 LEU A 62 2.218 -5.848 -3.032 1.00 43.02 H new ATOM 0 HD22 LEU A 62 2.276 -6.076 -1.268 1.00 43.02 H new ATOM 0 HD23 LEU A 62 0.707 -6.006 -2.105 1.00 43.02 H new ATOM 1005 N GLY A 63 -1.688 -2.677 0.972 1.00 63.11 N ATOM 1006 CA GLY A 63 -2.476 -2.169 2.107 1.00 73.10 C ATOM 1007 C GLY A 63 -3.763 -2.970 2.373 1.00 33.31 C ATOM 1008 O GLY A 63 -4.355 -2.849 3.446 1.00 12.31 O ATOM 0 H GLY A 63 -1.730 -2.096 0.135 1.00 63.11 H new ATOM 0 HA2 GLY A 63 -1.857 -2.184 3.004 1.00 73.10 H new ATOM 0 HA3 GLY A 63 -2.739 -1.128 1.919 1.00 73.10 H new ATOM 1012 N TYR A 64 -4.214 -3.755 1.373 1.00 63.12 N ATOM 1013 CA TYR A 64 -5.363 -4.689 1.516 1.00 11.45 C ATOM 1014 C TYR A 64 -4.921 -6.048 2.112 1.00 14.20 C ATOM 1015 O TYR A 64 -5.727 -6.735 2.757 1.00 63.44 O ATOM 1016 CB TYR A 64 -6.059 -4.910 0.140 1.00 63.35 C ATOM 1017 CG TYR A 64 -6.967 -3.761 -0.350 1.00 72.33 C ATOM 1018 CD1 TYR A 64 -6.849 -2.451 0.139 1.00 14.24 C ATOM 1019 CD2 TYR A 64 -7.952 -3.999 -1.313 1.00 75.33 C ATOM 1020 CE1 TYR A 64 -7.669 -1.441 -0.313 1.00 64.24 C ATOM 1021 CE2 TYR A 64 -8.774 -2.987 -1.762 1.00 73.14 C ATOM 1022 CZ TYR A 64 -8.629 -1.713 -1.260 1.00 55.24 C ATOM 1023 OH TYR A 64 -9.449 -0.702 -1.713 1.00 55.41 O ATOM 0 H TYR A 64 -3.796 -3.763 0.443 1.00 63.12 H new ATOM 0 HA TYR A 64 -6.073 -4.234 2.207 1.00 11.45 H new ATOM 0 HB2 TYR A 64 -5.288 -5.084 -0.611 1.00 63.35 H new ATOM 0 HB3 TYR A 64 -6.657 -5.819 0.199 1.00 63.35 H new ATOM 0 HD1 TYR A 64 -6.100 -2.230 0.885 1.00 14.24 H new ATOM 0 HD2 TYR A 64 -8.072 -4.995 -1.713 1.00 75.33 H new ATOM 0 HE1 TYR A 64 -7.559 -0.439 0.075 1.00 64.24 H new ATOM 0 HE2 TYR A 64 -9.530 -3.193 -2.506 1.00 73.14 H new ATOM 0 HH TYR A 64 -9.143 -0.403 -2.595 1.00 55.41 H new ATOM 1033 N SER A 65 -3.646 -6.437 1.876 1.00 63.44 N ATOM 1034 CA SER A 65 -3.084 -7.693 2.422 1.00 52.42 C ATOM 1035 C SER A 65 -2.864 -7.546 3.942 1.00 0.21 C ATOM 1036 O SER A 65 -2.233 -6.578 4.389 1.00 53.04 O ATOM 1037 CB SER A 65 -1.752 -8.078 1.723 1.00 41.11 C ATOM 1038 OG SER A 65 -0.694 -7.169 2.002 1.00 41.33 O ATOM 0 H SER A 65 -2.988 -5.899 1.312 1.00 63.44 H new ATOM 0 HA SER A 65 -3.798 -8.494 2.231 1.00 52.42 H new ATOM 0 HB2 SER A 65 -1.457 -9.078 2.041 1.00 41.11 H new ATOM 0 HB3 SER A 65 -1.913 -8.120 0.646 1.00 41.11 H new ATOM 0 HG SER A 65 -1.032 -6.250 1.959 1.00 41.33 H new ATOM 1044 N ASN A 66 -3.371 -8.523 4.720 1.00 33.43 N ATOM 1045 CA ASN A 66 -3.388 -8.476 6.207 1.00 72.32 C ATOM 1046 C ASN A 66 -1.979 -8.336 6.856 1.00 72.54 C ATOM 1047 O ASN A 66 -1.892 -8.016 8.035 1.00 4.33 O ATOM 1048 CB ASN A 66 -4.118 -9.718 6.780 1.00 23.32 C ATOM 1049 CG ASN A 66 -3.438 -11.049 6.440 1.00 11.45 C ATOM 1050 OD1 ASN A 66 -2.868 -11.223 5.367 1.00 1.12 O ATOM 1051 ND2 ASN A 66 -3.481 -11.995 7.357 1.00 24.34 N ATOM 0 H ASN A 66 -3.784 -9.374 4.338 1.00 33.43 H new ATOM 0 HA ASN A 66 -3.932 -7.568 6.468 1.00 72.32 H new ATOM 0 HB2 ASN A 66 -4.184 -9.621 7.864 1.00 23.32 H new ATOM 0 HB3 ASN A 66 -5.139 -9.735 6.399 1.00 23.32 H new ATOM 0 HD21 ASN A 66 -3.034 -12.895 7.182 1.00 24.34 H new ATOM 0 HD22 ASN A 66 -3.961 -11.827 8.241 1.00 24.34 H new ATOM 1058 N LEU A 67 -0.900 -8.600 6.079 1.00 22.24 N ATOM 1059 CA LEU A 67 0.507 -8.463 6.540 1.00 64.43 C ATOM 1060 C LEU A 67 0.837 -7.007 6.990 1.00 22.22 C ATOM 1061 O LEU A 67 1.476 -6.807 8.023 1.00 14.11 O ATOM 1062 CB LEU A 67 1.484 -8.920 5.417 1.00 22.12 C ATOM 1063 CG LEU A 67 3.013 -8.921 5.783 1.00 51.05 C ATOM 1064 CD1 LEU A 67 3.317 -9.838 6.992 1.00 4.33 C ATOM 1065 CD2 LEU A 67 3.894 -9.279 4.555 1.00 55.14 C ATOM 0 H LEU A 67 -0.979 -8.915 5.112 1.00 22.24 H new ATOM 0 HA LEU A 67 0.633 -9.106 7.411 1.00 64.43 H new ATOM 0 HB2 LEU A 67 1.205 -9.928 5.110 1.00 22.12 H new ATOM 0 HB3 LEU A 67 1.339 -8.272 4.553 1.00 22.12 H new ATOM 0 HG LEU A 67 3.271 -7.905 6.082 1.00 51.05 H new ATOM 0 HD11 LEU A 67 4.384 -9.809 7.211 1.00 4.33 H new ATOM 0 HD12 LEU A 67 2.759 -9.491 7.861 1.00 4.33 H new ATOM 0 HD13 LEU A 67 3.022 -10.861 6.756 1.00 4.33 H new ATOM 0 HD21 LEU A 67 4.944 -9.270 4.846 1.00 55.14 H new ATOM 0 HD22 LEU A 67 3.626 -10.271 4.192 1.00 55.14 H new ATOM 0 HD23 LEU A 67 3.730 -8.547 3.764 1.00 55.14 H new ATOM 1077 N TYR A 68 0.370 -6.002 6.215 1.00 13.35 N ATOM 1078 CA TYR A 68 0.579 -4.564 6.545 1.00 40.12 C ATOM 1079 C TYR A 68 -0.167 -4.178 7.849 1.00 11.02 C ATOM 1080 O TYR A 68 0.371 -3.481 8.722 1.00 40.05 O ATOM 1081 CB TYR A 68 0.108 -3.661 5.367 1.00 32.44 C ATOM 1082 CG TYR A 68 0.306 -2.147 5.609 1.00 32.12 C ATOM 1083 CD1 TYR A 68 1.587 -1.580 5.615 1.00 43.11 C ATOM 1084 CD2 TYR A 68 -0.778 -1.290 5.844 1.00 11.51 C ATOM 1085 CE1 TYR A 68 1.775 -0.227 5.849 1.00 12.42 C ATOM 1086 CE2 TYR A 68 -0.591 0.063 6.077 1.00 14.22 C ATOM 1087 CZ TYR A 68 0.690 0.588 6.078 1.00 42.21 C ATOM 1088 OH TYR A 68 0.888 1.940 6.310 1.00 60.40 O ATOM 0 H TYR A 68 -0.156 -6.155 5.354 1.00 13.35 H new ATOM 0 HA TYR A 68 1.646 -4.407 6.704 1.00 40.12 H new ATOM 0 HB2 TYR A 68 0.650 -3.947 4.466 1.00 32.44 H new ATOM 0 HB3 TYR A 68 -0.948 -3.852 5.178 1.00 32.44 H new ATOM 0 HD1 TYR A 68 2.445 -2.210 5.434 1.00 43.11 H new ATOM 0 HD2 TYR A 68 -1.780 -1.693 5.843 1.00 11.51 H new ATOM 0 HE1 TYR A 68 2.772 0.187 5.852 1.00 12.42 H new ATOM 0 HE2 TYR A 68 -1.441 0.705 6.257 1.00 14.22 H new ATOM 0 HH TYR A 68 1.840 2.109 6.468 1.00 60.40 H new ATOM 1098 N LEU A 69 -1.411 -4.668 7.957 1.00 60.21 N ATOM 1099 CA LEU A 69 -2.304 -4.407 9.106 1.00 64.11 C ATOM 1100 C LEU A 69 -1.833 -5.170 10.371 1.00 23.51 C ATOM 1101 O LEU A 69 -2.065 -4.720 11.493 1.00 22.11 O ATOM 1102 CB LEU A 69 -3.788 -4.745 8.745 1.00 74.51 C ATOM 1103 CG LEU A 69 -4.415 -3.953 7.531 1.00 74.34 C ATOM 1104 CD1 LEU A 69 -4.040 -2.459 7.560 1.00 32.21 C ATOM 1105 CD2 LEU A 69 -4.051 -4.575 6.170 1.00 41.24 C ATOM 0 H LEU A 69 -1.834 -5.263 7.244 1.00 60.21 H new ATOM 0 HA LEU A 69 -2.255 -3.343 9.337 1.00 64.11 H new ATOM 0 HB2 LEU A 69 -3.852 -5.811 8.527 1.00 74.51 H new ATOM 0 HB3 LEU A 69 -4.404 -4.563 9.626 1.00 74.51 H new ATOM 0 HG LEU A 69 -5.496 -4.032 7.650 1.00 74.34 H new ATOM 0 HD11 LEU A 69 -4.493 -1.954 6.707 1.00 32.21 H new ATOM 0 HD12 LEU A 69 -4.405 -2.010 8.484 1.00 32.21 H new ATOM 0 HD13 LEU A 69 -2.956 -2.355 7.510 1.00 32.21 H new ATOM 0 HD21 LEU A 69 -4.507 -3.992 5.370 1.00 41.24 H new ATOM 0 HD22 LEU A 69 -2.968 -4.574 6.047 1.00 41.24 H new ATOM 0 HD23 LEU A 69 -4.420 -5.600 6.128 1.00 41.24 H new ATOM 1117 N LYS A 70 -1.168 -6.322 10.156 1.00 30.05 N ATOM 1118 CA LYS A 70 -0.539 -7.153 11.216 1.00 63.41 C ATOM 1119 C LYS A 70 0.548 -6.356 11.976 1.00 3.32 C ATOM 1120 O LYS A 70 0.611 -6.373 13.212 1.00 15.34 O ATOM 1121 CB LYS A 70 0.104 -8.394 10.531 1.00 15.01 C ATOM 1122 CG LYS A 70 0.751 -9.448 11.455 1.00 73.14 C ATOM 1123 CD LYS A 70 1.589 -10.478 10.649 1.00 14.42 C ATOM 1124 CE LYS A 70 1.970 -11.720 11.468 1.00 4.22 C ATOM 1125 NZ LYS A 70 0.775 -12.536 11.824 1.00 41.44 N ATOM 0 H LYS A 70 -1.047 -6.714 9.222 1.00 30.05 H new ATOM 0 HA LYS A 70 -1.296 -7.456 11.940 1.00 63.41 H new ATOM 0 HB2 LYS A 70 -0.665 -8.890 9.938 1.00 15.01 H new ATOM 0 HB3 LYS A 70 0.865 -8.041 9.835 1.00 15.01 H new ATOM 0 HG2 LYS A 70 1.389 -8.950 12.185 1.00 73.14 H new ATOM 0 HG3 LYS A 70 -0.026 -9.969 12.014 1.00 73.14 H new ATOM 0 HD2 LYS A 70 1.024 -10.789 9.771 1.00 14.42 H new ATOM 0 HD3 LYS A 70 2.497 -9.995 10.289 1.00 14.42 H new ATOM 0 HE2 LYS A 70 2.670 -12.331 10.898 1.00 4.22 H new ATOM 0 HE3 LYS A 70 2.484 -11.411 12.378 1.00 4.22 H new ATOM 0 HZ1 LYS A 70 1.082 -13.465 12.178 1.00 41.44 H new ATOM 0 HZ2 LYS A 70 0.228 -12.048 12.562 1.00 41.44 H new ATOM 0 HZ3 LYS A 70 0.180 -12.666 10.981 1.00 41.44 H new ATOM 1139 N GLU A 71 1.393 -5.662 11.196 1.00 33.55 N ATOM 1140 CA GLU A 71 2.519 -4.859 11.706 1.00 25.31 C ATOM 1141 C GLU A 71 2.034 -3.539 12.370 1.00 5.40 C ATOM 1142 O GLU A 71 2.527 -3.148 13.435 1.00 73.21 O ATOM 1143 CB GLU A 71 3.478 -4.532 10.520 1.00 73.41 C ATOM 1144 CG GLU A 71 3.972 -5.759 9.717 1.00 15.25 C ATOM 1145 CD GLU A 71 4.957 -6.642 10.493 1.00 33.13 C ATOM 1146 OE1 GLU A 71 6.154 -6.277 10.563 1.00 53.34 O ATOM 1147 OE2 GLU A 71 4.544 -7.686 11.050 1.00 42.53 O ATOM 0 H GLU A 71 1.313 -5.642 10.179 1.00 33.55 H new ATOM 0 HA GLU A 71 3.038 -5.437 12.471 1.00 25.31 H new ATOM 0 HB2 GLU A 71 2.968 -3.852 9.838 1.00 73.41 H new ATOM 0 HB3 GLU A 71 4.345 -4.000 10.911 1.00 73.41 H new ATOM 0 HG2 GLU A 71 3.112 -6.360 9.422 1.00 15.25 H new ATOM 0 HG3 GLU A 71 4.450 -5.415 8.800 1.00 15.25 H new ATOM 1154 N PHE A 72 1.047 -2.874 11.727 1.00 64.01 N ATOM 1155 CA PHE A 72 0.657 -1.476 12.069 1.00 43.21 C ATOM 1156 C PHE A 72 -0.775 -1.347 12.651 1.00 51.24 C ATOM 1157 O PHE A 72 -0.927 -1.040 13.830 1.00 22.13 O ATOM 1158 CB PHE A 72 0.852 -0.565 10.825 1.00 24.42 C ATOM 1159 CG PHE A 72 2.311 -0.534 10.347 1.00 11.35 C ATOM 1160 CD1 PHE A 72 3.292 0.106 11.109 1.00 71.21 C ATOM 1161 CD2 PHE A 72 2.709 -1.171 9.169 1.00 33.04 C ATOM 1162 CE1 PHE A 72 4.615 0.107 10.711 1.00 54.41 C ATOM 1163 CE2 PHE A 72 4.034 -1.164 8.766 1.00 35.35 C ATOM 1164 CZ PHE A 72 4.987 -0.528 9.538 1.00 61.23 C ATOM 0 H PHE A 72 0.502 -3.279 10.966 1.00 64.01 H new ATOM 0 HA PHE A 72 1.315 -1.147 12.873 1.00 43.21 H new ATOM 0 HB2 PHE A 72 0.214 -0.919 10.015 1.00 24.42 H new ATOM 0 HB3 PHE A 72 0.529 0.448 11.065 1.00 24.42 H new ATOM 0 HD1 PHE A 72 3.012 0.608 12.023 1.00 71.21 H new ATOM 0 HD2 PHE A 72 1.972 -1.677 8.563 1.00 33.04 H new ATOM 0 HE1 PHE A 72 5.360 0.604 11.315 1.00 54.41 H new ATOM 0 HE2 PHE A 72 4.322 -1.656 7.849 1.00 35.35 H new ATOM 0 HZ PHE A 72 6.021 -0.526 9.227 1.00 61.23 H new ATOM 1174 N TYR A 73 -1.813 -1.606 11.837 1.00 51.22 N ATOM 1175 CA TYR A 73 -3.230 -1.302 12.207 1.00 32.45 C ATOM 1176 C TYR A 73 -3.739 -2.056 13.469 1.00 44.11 C ATOM 1177 O TYR A 73 -4.603 -1.546 14.190 1.00 5.55 O ATOM 1178 CB TYR A 73 -4.142 -1.583 10.991 1.00 0.11 C ATOM 1179 CG TYR A 73 -5.654 -1.373 11.209 1.00 44.41 C ATOM 1180 CD1 TYR A 73 -6.194 -0.093 11.405 1.00 53.13 C ATOM 1181 CD2 TYR A 73 -6.543 -2.455 11.195 1.00 41.11 C ATOM 1182 CE1 TYR A 73 -7.556 0.094 11.575 1.00 71.11 C ATOM 1183 CE2 TYR A 73 -7.900 -2.270 11.368 1.00 40.52 C ATOM 1184 CZ TYR A 73 -8.403 -0.997 11.560 1.00 14.41 C ATOM 1185 OH TYR A 73 -9.762 -0.818 11.722 1.00 12.11 O ATOM 0 H TYR A 73 -1.709 -2.026 10.913 1.00 51.22 H new ATOM 0 HA TYR A 73 -3.267 -0.247 12.477 1.00 32.45 H new ATOM 0 HB2 TYR A 73 -3.823 -0.943 10.169 1.00 0.11 H new ATOM 0 HB3 TYR A 73 -3.982 -2.613 10.674 1.00 0.11 H new ATOM 0 HD1 TYR A 73 -5.535 0.763 11.424 1.00 53.13 H new ATOM 0 HD2 TYR A 73 -6.159 -3.454 11.046 1.00 41.11 H new ATOM 0 HE1 TYR A 73 -7.954 1.088 11.719 1.00 71.11 H new ATOM 0 HE2 TYR A 73 -8.568 -3.119 11.353 1.00 40.52 H new ATOM 0 HH TYR A 73 -10.213 -1.687 11.685 1.00 12.11 H new ATOM 1195 N THR A 74 -3.208 -3.261 13.725 1.00 32.44 N ATOM 1196 CA THR A 74 -3.637 -4.095 14.874 1.00 23.14 C ATOM 1197 C THR A 74 -2.999 -3.612 16.223 1.00 75.31 C ATOM 1198 O THR A 74 -3.747 -3.349 17.175 1.00 62.25 O ATOM 1199 CB THR A 74 -3.360 -5.625 14.618 1.00 22.24 C ATOM 1200 OG1 THR A 74 -3.981 -6.034 13.384 1.00 72.42 O ATOM 1201 CG2 THR A 74 -3.872 -6.516 15.766 1.00 52.25 C ATOM 0 H THR A 74 -2.478 -3.687 13.154 1.00 32.44 H new ATOM 0 HA THR A 74 -4.716 -3.970 14.969 1.00 23.14 H new ATOM 0 HB THR A 74 -2.279 -5.750 14.559 1.00 22.24 H new ATOM 0 HG1 THR A 74 -3.470 -5.679 12.627 1.00 72.42 H new ATOM 0 HG21 THR A 74 -3.656 -7.560 15.540 1.00 52.25 H new ATOM 0 HG22 THR A 74 -3.374 -6.235 16.694 1.00 52.25 H new ATOM 0 HG23 THR A 74 -4.948 -6.384 15.877 1.00 52.25 H new ATOM 1209 N PRO A 75 -1.621 -3.480 16.358 1.00 32.24 N ATOM 1210 CA PRO A 75 -0.994 -2.955 17.611 1.00 55.21 C ATOM 1211 C PRO A 75 -1.200 -1.427 17.839 1.00 32.31 C ATOM 1212 O PRO A 75 -1.003 -0.940 18.957 1.00 31.15 O ATOM 1213 CB PRO A 75 0.522 -3.292 17.437 1.00 51.13 C ATOM 1214 CG PRO A 75 0.583 -4.244 16.274 1.00 12.02 C ATOM 1215 CD PRO A 75 -0.563 -3.856 15.379 1.00 14.13 C ATOM 0 HA PRO A 75 -1.453 -3.408 18.490 1.00 55.21 H new ATOM 0 HB2 PRO A 75 1.105 -2.392 17.241 1.00 51.13 H new ATOM 0 HB3 PRO A 75 0.931 -3.746 18.340 1.00 51.13 H new ATOM 0 HG2 PRO A 75 1.535 -4.163 15.750 1.00 12.02 H new ATOM 0 HG3 PRO A 75 0.489 -5.278 16.607 1.00 12.02 H new ATOM 0 HD2 PRO A 75 -0.303 -3.025 14.723 1.00 14.13 H new ATOM 0 HD3 PRO A 75 -0.876 -4.681 14.739 1.00 14.13 H new ATOM 1223 N TYR A 76 -1.585 -0.676 16.782 1.00 54.15 N ATOM 1224 CA TYR A 76 -1.704 0.812 16.839 1.00 72.41 C ATOM 1225 C TYR A 76 -3.169 1.296 16.646 1.00 32.52 C ATOM 1226 O TYR A 76 -3.930 0.670 15.909 1.00 71.41 O ATOM 1227 CB TYR A 76 -0.785 1.464 15.767 1.00 55.24 C ATOM 1228 CG TYR A 76 0.721 1.278 16.029 1.00 2.11 C ATOM 1229 CD1 TYR A 76 1.312 1.808 17.179 1.00 4.33 C ATOM 1230 CD2 TYR A 76 1.547 0.587 15.137 1.00 51.51 C ATOM 1231 CE1 TYR A 76 2.661 1.656 17.430 1.00 3.01 C ATOM 1232 CE2 TYR A 76 2.897 0.435 15.384 1.00 61.45 C ATOM 1233 CZ TYR A 76 3.449 0.970 16.530 1.00 53.51 C ATOM 1234 OH TYR A 76 4.798 0.821 16.773 1.00 63.22 O ATOM 0 H TYR A 76 -1.821 -1.072 15.872 1.00 54.15 H new ATOM 0 HA TYR A 76 -1.386 1.122 17.834 1.00 72.41 H new ATOM 0 HB2 TYR A 76 -1.027 1.042 14.792 1.00 55.24 H new ATOM 0 HB3 TYR A 76 -1.005 2.530 15.716 1.00 55.24 H new ATOM 0 HD1 TYR A 76 0.700 2.348 17.887 1.00 4.33 H new ATOM 0 HD2 TYR A 76 1.121 0.165 14.239 1.00 51.51 H new ATOM 0 HE1 TYR A 76 3.097 2.072 18.326 1.00 3.01 H new ATOM 0 HE2 TYR A 76 3.519 -0.101 14.682 1.00 61.45 H new ATOM 0 HH TYR A 76 5.208 0.312 16.043 1.00 63.22 H new ATOM 1244 N PRO A 77 -3.577 2.444 17.300 1.00 53.25 N ATOM 1245 CA PRO A 77 -4.924 3.056 17.098 1.00 75.42 C ATOM 1246 C PRO A 77 -5.038 3.813 15.745 1.00 72.52 C ATOM 1247 O PRO A 77 -4.018 4.070 15.090 1.00 31.30 O ATOM 1248 CB PRO A 77 -5.043 4.027 18.304 1.00 71.43 C ATOM 1249 CG PRO A 77 -3.625 4.452 18.569 1.00 71.01 C ATOM 1250 CD PRO A 77 -2.775 3.223 18.292 1.00 35.24 C ATOM 0 HA PRO A 77 -5.720 2.313 17.054 1.00 75.42 H new ATOM 0 HB2 PRO A 77 -5.678 4.881 18.068 1.00 71.43 H new ATOM 0 HB3 PRO A 77 -5.481 3.534 19.172 1.00 71.43 H new ATOM 0 HG2 PRO A 77 -3.337 5.282 17.924 1.00 71.01 H new ATOM 0 HG3 PRO A 77 -3.502 4.790 19.598 1.00 71.01 H new ATOM 0 HD2 PRO A 77 -1.799 3.495 17.890 1.00 35.24 H new ATOM 0 HD3 PRO A 77 -2.597 2.648 19.201 1.00 35.24 H new ATOM 1258 N ASN A 78 -6.282 4.217 15.384 1.00 1.21 N ATOM 1259 CA ASN A 78 -6.616 4.830 14.066 1.00 3.33 C ATOM 1260 C ASN A 78 -5.671 5.996 13.684 1.00 54.31 C ATOM 1261 O ASN A 78 -5.116 6.001 12.588 1.00 32.21 O ATOM 1262 CB ASN A 78 -8.083 5.339 14.055 1.00 74.42 C ATOM 1263 CG ASN A 78 -9.139 4.236 14.180 1.00 41.11 C ATOM 1264 OD1 ASN A 78 -8.915 3.193 14.789 1.00 44.40 O ATOM 1265 ND2 ASN A 78 -10.309 4.462 13.607 1.00 61.32 N ATOM 0 H ASN A 78 -7.089 4.127 16.001 1.00 1.21 H new ATOM 0 HA ASN A 78 -6.486 4.042 13.324 1.00 3.33 H new ATOM 0 HB2 ASN A 78 -8.215 6.046 14.874 1.00 74.42 H new ATOM 0 HB3 ASN A 78 -8.257 5.888 13.129 1.00 74.42 H new ATOM 0 HD21 ASN A 78 -11.049 3.762 13.665 1.00 61.32 H new ATOM 0 HD22 ASN A 78 -10.472 5.336 13.107 1.00 61.32 H new ATOM 1272 N THR A 79 -5.468 6.949 14.621 1.00 13.12 N ATOM 1273 CA THR A 79 -4.640 8.163 14.394 1.00 5.31 C ATOM 1274 C THR A 79 -3.164 7.832 14.027 1.00 31.23 C ATOM 1275 O THR A 79 -2.556 8.525 13.197 1.00 73.40 O ATOM 1276 CB THR A 79 -4.686 9.103 15.648 1.00 11.54 C ATOM 1277 OG1 THR A 79 -6.059 9.347 16.016 1.00 31.42 O ATOM 1278 CG2 THR A 79 -3.988 10.459 15.402 1.00 51.54 C ATOM 0 H THR A 79 -5.872 6.902 15.557 1.00 13.12 H new ATOM 0 HA THR A 79 -5.073 8.677 13.536 1.00 5.31 H new ATOM 0 HB THR A 79 -4.150 8.594 16.449 1.00 11.54 H new ATOM 0 HG1 THR A 79 -6.088 9.933 16.801 1.00 31.42 H new ATOM 0 HG21 THR A 79 -4.050 11.069 16.303 1.00 51.54 H new ATOM 0 HG22 THR A 79 -2.941 10.289 15.151 1.00 51.54 H new ATOM 0 HG23 THR A 79 -4.479 10.977 14.578 1.00 51.54 H new ATOM 1286 N LYS A 80 -2.606 6.754 14.624 1.00 21.23 N ATOM 1287 CA LYS A 80 -1.226 6.299 14.316 1.00 1.00 C ATOM 1288 C LYS A 80 -1.162 5.642 12.917 1.00 35.25 C ATOM 1289 O LYS A 80 -0.177 5.788 12.195 1.00 11.44 O ATOM 1290 CB LYS A 80 -0.710 5.290 15.374 1.00 12.30 C ATOM 1291 CG LYS A 80 0.805 4.970 15.260 1.00 51.12 C ATOM 1292 CD LYS A 80 1.697 6.164 15.680 1.00 3.32 C ATOM 1293 CE LYS A 80 3.202 5.899 15.486 1.00 64.24 C ATOM 1294 NZ LYS A 80 3.678 4.728 16.264 1.00 71.43 N ATOM 0 H LYS A 80 -3.086 6.183 15.320 1.00 21.23 H new ATOM 0 HA LYS A 80 -0.588 7.183 14.333 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -0.912 5.688 16.368 1.00 12.30 H new ATOM 0 HB3 LYS A 80 -1.274 4.362 15.281 1.00 12.30 H new ATOM 0 HG2 LYS A 80 1.039 4.108 15.885 1.00 51.12 H new ATOM 0 HG3 LYS A 80 1.038 4.691 14.232 1.00 51.12 H new ATOM 0 HD2 LYS A 80 1.412 7.042 15.101 1.00 3.32 H new ATOM 0 HD3 LYS A 80 1.509 6.398 16.728 1.00 3.32 H new ATOM 0 HE2 LYS A 80 3.405 5.735 14.428 1.00 64.24 H new ATOM 0 HE3 LYS A 80 3.765 6.783 15.785 1.00 64.24 H new ATOM 0 HZ1 LYS A 80 4.705 4.623 16.140 1.00 71.43 H new ATOM 0 HZ2 LYS A 80 3.464 4.871 17.272 1.00 71.43 H new ATOM 0 HZ3 LYS A 80 3.199 3.869 15.927 1.00 71.43 H new ATOM 1308 N VAL A 81 -2.236 4.920 12.558 1.00 75.21 N ATOM 1309 CA VAL A 81 -2.365 4.255 11.237 1.00 61.51 C ATOM 1310 C VAL A 81 -2.522 5.310 10.108 1.00 13.32 C ATOM 1311 O VAL A 81 -2.122 5.076 8.969 1.00 34.42 O ATOM 1312 CB VAL A 81 -3.583 3.253 11.227 1.00 60.34 C ATOM 1313 CG1 VAL A 81 -3.685 2.453 9.894 1.00 72.53 C ATOM 1314 CG2 VAL A 81 -3.513 2.307 12.451 1.00 73.41 C ATOM 0 H VAL A 81 -3.041 4.777 13.168 1.00 75.21 H new ATOM 0 HA VAL A 81 -1.454 3.685 11.056 1.00 61.51 H new ATOM 0 HB VAL A 81 -4.495 3.846 11.298 1.00 60.34 H new ATOM 0 HG11 VAL A 81 -4.540 1.778 9.939 1.00 72.53 H new ATOM 0 HG12 VAL A 81 -3.814 3.146 9.063 1.00 72.53 H new ATOM 0 HG13 VAL A 81 -2.773 1.874 9.746 1.00 72.53 H new ATOM 0 HG21 VAL A 81 -4.360 1.622 12.430 1.00 73.41 H new ATOM 0 HG22 VAL A 81 -2.584 1.737 12.418 1.00 73.41 H new ATOM 0 HG23 VAL A 81 -3.545 2.895 13.368 1.00 73.41 H new ATOM 1324 N ILE A 82 -3.099 6.478 10.463 1.00 63.44 N ATOM 1325 CA ILE A 82 -3.233 7.638 9.554 1.00 13.13 C ATOM 1326 C ILE A 82 -1.858 8.237 9.207 1.00 23.32 C ATOM 1327 O ILE A 82 -1.537 8.398 8.034 1.00 34.14 O ATOM 1328 CB ILE A 82 -4.146 8.747 10.197 1.00 0.52 C ATOM 1329 CG1 ILE A 82 -5.593 8.206 10.394 1.00 73.33 C ATOM 1330 CG2 ILE A 82 -4.141 10.076 9.382 1.00 54.12 C ATOM 1331 CD1 ILE A 82 -6.486 9.103 11.217 1.00 60.22 C ATOM 0 H ILE A 82 -3.487 6.644 11.392 1.00 63.44 H new ATOM 0 HA ILE A 82 -3.698 7.281 8.635 1.00 13.13 H new ATOM 0 HB ILE A 82 -3.726 8.989 11.173 1.00 0.52 H new ATOM 0 HG12 ILE A 82 -6.049 8.058 9.415 1.00 73.33 H new ATOM 0 HG13 ILE A 82 -5.541 7.228 10.872 1.00 73.33 H new ATOM 0 HG21 ILE A 82 -4.787 10.805 9.871 1.00 54.12 H new ATOM 0 HG22 ILE A 82 -3.125 10.468 9.331 1.00 54.12 H new ATOM 0 HG23 ILE A 82 -4.507 9.886 8.373 1.00 54.12 H new ATOM 0 HD11 ILE A 82 -7.474 8.651 11.305 1.00 60.22 H new ATOM 0 HD12 ILE A 82 -6.056 9.232 12.210 1.00 60.22 H new ATOM 0 HD13 ILE A 82 -6.573 10.075 10.731 1.00 60.22 H new ATOM 1343 N GLU A 83 -1.045 8.546 10.237 1.00 73.40 N ATOM 1344 CA GLU A 83 0.268 9.200 10.032 1.00 70.41 C ATOM 1345 C GLU A 83 1.303 8.231 9.412 1.00 70.32 C ATOM 1346 O GLU A 83 2.101 8.642 8.571 1.00 73.20 O ATOM 1347 CB GLU A 83 0.808 9.824 11.348 1.00 12.25 C ATOM 1348 CG GLU A 83 0.917 8.851 12.534 1.00 70.32 C ATOM 1349 CD GLU A 83 1.659 9.441 13.742 1.00 1.41 C ATOM 1350 OE1 GLU A 83 1.024 10.139 14.565 1.00 52.54 O ATOM 1351 OE2 GLU A 83 2.884 9.217 13.862 1.00 62.40 O ATOM 0 H GLU A 83 -1.270 8.356 11.214 1.00 73.40 H new ATOM 0 HA GLU A 83 0.110 10.010 9.320 1.00 70.41 H new ATOM 0 HB2 GLU A 83 1.793 10.247 11.154 1.00 12.25 H new ATOM 0 HB3 GLU A 83 0.157 10.650 11.634 1.00 12.25 H new ATOM 0 HG2 GLU A 83 -0.085 8.553 12.843 1.00 70.32 H new ATOM 0 HG3 GLU A 83 1.432 7.948 12.207 1.00 70.32 H new ATOM 1358 N LEU A 84 1.272 6.942 9.824 1.00 11.21 N ATOM 1359 CA LEU A 84 2.135 5.882 9.248 1.00 31.51 C ATOM 1360 C LEU A 84 1.640 5.446 7.845 1.00 71.34 C ATOM 1361 O LEU A 84 2.443 5.069 6.996 1.00 70.22 O ATOM 1362 CB LEU A 84 2.202 4.658 10.215 1.00 70.41 C ATOM 1363 CG LEU A 84 3.022 4.856 11.530 1.00 50.32 C ATOM 1364 CD1 LEU A 84 2.924 3.604 12.436 1.00 60.03 C ATOM 1365 CD2 LEU A 84 4.496 5.234 11.227 1.00 31.14 C ATOM 0 H LEU A 84 0.652 6.608 10.561 1.00 11.21 H new ATOM 0 HA LEU A 84 3.138 6.292 9.128 1.00 31.51 H new ATOM 0 HB2 LEU A 84 1.183 4.381 10.486 1.00 70.41 H new ATOM 0 HB3 LEU A 84 2.628 3.815 9.670 1.00 70.41 H new ATOM 0 HG LEU A 84 2.585 5.692 12.076 1.00 50.32 H new ATOM 0 HD11 LEU A 84 3.503 3.766 13.345 1.00 60.03 H new ATOM 0 HD12 LEU A 84 1.881 3.425 12.697 1.00 60.03 H new ATOM 0 HD13 LEU A 84 3.319 2.738 11.904 1.00 60.03 H new ATOM 0 HD21 LEU A 84 5.038 5.364 12.164 1.00 31.14 H new ATOM 0 HD22 LEU A 84 4.963 4.440 10.645 1.00 31.14 H new ATOM 0 HD23 LEU A 84 4.524 6.164 10.659 1.00 31.14 H new ATOM 1377 N GLY A 85 0.315 5.513 7.617 1.00 42.15 N ATOM 1378 CA GLY A 85 -0.282 5.173 6.311 1.00 74.44 C ATOM 1379 C GLY A 85 0.020 6.230 5.250 1.00 3.21 C ATOM 1380 O GLY A 85 0.361 5.914 4.117 1.00 64.40 O ATOM 0 H GLY A 85 -0.364 5.800 8.322 1.00 42.15 H new ATOM 0 HA2 GLY A 85 0.099 4.207 5.979 1.00 74.44 H new ATOM 0 HA3 GLY A 85 -1.361 5.069 6.422 1.00 74.44 H new ATOM 1384 N THR A 86 -0.094 7.498 5.653 1.00 23.22 N ATOM 1385 CA THR A 86 0.271 8.669 4.823 1.00 74.33 C ATOM 1386 C THR A 86 1.805 8.707 4.568 1.00 1.45 C ATOM 1387 O THR A 86 2.258 9.092 3.490 1.00 42.41 O ATOM 1388 CB THR A 86 -0.220 9.986 5.523 1.00 25.14 C ATOM 1389 OG1 THR A 86 -1.661 9.999 5.579 1.00 0.55 O ATOM 1390 CG2 THR A 86 0.259 11.280 4.851 1.00 55.32 C ATOM 0 H THR A 86 -0.446 7.753 6.576 1.00 23.22 H new ATOM 0 HA THR A 86 -0.220 8.586 3.854 1.00 74.33 H new ATOM 0 HB THR A 86 0.222 9.970 6.519 1.00 25.14 H new ATOM 0 HG1 THR A 86 -1.962 9.496 6.364 1.00 0.55 H new ATOM 0 HG21 THR A 86 -0.126 12.139 5.400 1.00 55.32 H new ATOM 0 HG22 THR A 86 1.349 11.308 4.851 1.00 55.32 H new ATOM 0 HG23 THR A 86 -0.104 11.313 3.824 1.00 55.32 H new ATOM 1398 N LYS A 87 2.590 8.290 5.578 1.00 12.23 N ATOM 1399 CA LYS A 87 4.067 8.167 5.468 1.00 31.31 C ATOM 1400 C LYS A 87 4.502 7.065 4.462 1.00 23.14 C ATOM 1401 O LYS A 87 5.438 7.263 3.676 1.00 31.43 O ATOM 1402 CB LYS A 87 4.661 7.868 6.869 1.00 60.24 C ATOM 1403 CG LYS A 87 6.202 7.856 6.943 1.00 22.03 C ATOM 1404 CD LYS A 87 6.720 7.512 8.359 1.00 34.32 C ATOM 1405 CE LYS A 87 8.244 7.666 8.479 1.00 42.12 C ATOM 1406 NZ LYS A 87 8.684 9.072 8.260 1.00 22.15 N ATOM 0 H LYS A 87 2.226 8.028 6.494 1.00 12.23 H new ATOM 0 HA LYS A 87 4.449 9.114 5.086 1.00 31.31 H new ATOM 0 HB2 LYS A 87 4.286 8.613 7.571 1.00 60.24 H new ATOM 0 HB3 LYS A 87 4.290 6.899 7.204 1.00 60.24 H new ATOM 0 HG2 LYS A 87 6.592 7.130 6.230 1.00 22.03 H new ATOM 0 HG3 LYS A 87 6.585 8.832 6.646 1.00 22.03 H new ATOM 0 HD2 LYS A 87 6.234 8.160 9.088 1.00 34.32 H new ATOM 0 HD3 LYS A 87 6.441 6.488 8.606 1.00 34.32 H new ATOM 0 HE2 LYS A 87 8.565 7.336 9.467 1.00 42.12 H new ATOM 0 HE3 LYS A 87 8.732 7.017 7.752 1.00 42.12 H new ATOM 0 HZ1 LYS A 87 9.668 9.181 8.578 1.00 22.15 H new ATOM 0 HZ2 LYS A 87 8.620 9.302 7.248 1.00 22.15 H new ATOM 0 HZ3 LYS A 87 8.072 9.716 8.801 1.00 22.15 H new ATOM 1420 N HIS A 88 3.818 5.903 4.500 1.00 20.34 N ATOM 1421 CA HIS A 88 4.179 4.726 3.671 1.00 24.44 C ATOM 1422 C HIS A 88 3.609 4.818 2.244 1.00 75.54 C ATOM 1423 O HIS A 88 4.226 4.338 1.297 1.00 44.12 O ATOM 1424 CB HIS A 88 3.700 3.418 4.349 1.00 64.35 C ATOM 1425 CG HIS A 88 4.462 3.059 5.600 1.00 33.20 C ATOM 1426 ND1 HIS A 88 3.852 2.704 6.783 1.00 22.22 N ATOM 1427 CD2 HIS A 88 5.798 2.981 5.840 1.00 32.03 C ATOM 1428 CE1 HIS A 88 4.767 2.425 7.683 1.00 22.25 C ATOM 1429 NE2 HIS A 88 5.952 2.584 7.139 1.00 24.41 N ATOM 0 H HIS A 88 3.007 5.751 5.099 1.00 20.34 H new ATOM 0 HA HIS A 88 5.266 4.716 3.589 1.00 24.44 H new ATOM 0 HB2 HIS A 88 2.643 3.515 4.596 1.00 64.35 H new ATOM 0 HB3 HIS A 88 3.787 2.599 3.636 1.00 64.35 H new ATOM 0 HD2 HIS A 88 6.589 3.193 5.136 1.00 32.03 H new ATOM 0 HE1 HIS A 88 4.577 2.116 8.700 1.00 22.25 H new ATOM 0 HE2 HIS A 88 6.844 2.435 7.610 1.00 24.41 H new ATOM 1438 N PHE A 89 2.404 5.376 2.106 1.00 43.34 N ATOM 1439 CA PHE A 89 1.758 5.559 0.790 1.00 71.13 C ATOM 1440 C PHE A 89 2.040 6.966 0.218 1.00 3.44 C ATOM 1441 O PHE A 89 2.817 7.084 -0.728 1.00 61.04 O ATOM 1442 CB PHE A 89 0.240 5.256 0.896 1.00 13.21 C ATOM 1443 CG PHE A 89 -0.055 3.774 1.187 1.00 43.22 C ATOM 1444 CD1 PHE A 89 -0.031 3.269 2.490 1.00 21.22 C ATOM 1445 CD2 PHE A 89 -0.330 2.881 0.153 1.00 61.31 C ATOM 1446 CE1 PHE A 89 -0.276 1.935 2.743 1.00 32.43 C ATOM 1447 CE2 PHE A 89 -0.573 1.543 0.409 1.00 14.35 C ATOM 1448 CZ PHE A 89 -0.546 1.071 1.703 1.00 43.25 C ATOM 0 H PHE A 89 1.847 5.713 2.891 1.00 43.34 H new ATOM 0 HA PHE A 89 2.188 4.849 0.084 1.00 71.13 H new ATOM 0 HB2 PHE A 89 -0.194 5.870 1.686 1.00 13.21 H new ATOM 0 HB3 PHE A 89 -0.249 5.543 -0.035 1.00 13.21 H new ATOM 0 HD1 PHE A 89 0.183 3.935 3.313 1.00 21.22 H new ATOM 0 HD2 PHE A 89 -0.354 3.239 -0.866 1.00 61.31 H new ATOM 0 HE1 PHE A 89 -0.256 1.567 3.758 1.00 32.43 H new ATOM 0 HE2 PHE A 89 -0.784 0.868 -0.407 1.00 14.35 H new ATOM 0 HZ PHE A 89 -0.736 0.027 1.902 1.00 43.25 H new ATOM 1458 N LEU A 90 1.475 8.037 0.832 1.00 50.13 N ATOM 1459 CA LEU A 90 1.564 9.423 0.269 1.00 62.22 C ATOM 1460 C LEU A 90 3.012 9.990 0.280 1.00 63.24 C ATOM 1461 O LEU A 90 3.302 10.970 -0.423 1.00 2.13 O ATOM 1462 CB LEU A 90 0.613 10.385 1.040 1.00 72.00 C ATOM 1463 CG LEU A 90 -0.895 9.990 1.057 1.00 52.21 C ATOM 1464 CD1 LEU A 90 -1.754 11.024 1.817 1.00 61.53 C ATOM 1465 CD2 LEU A 90 -1.417 9.783 -0.366 1.00 73.01 C ATOM 0 H LEU A 90 0.957 7.976 1.708 1.00 50.13 H new ATOM 0 HA LEU A 90 1.254 9.355 -0.774 1.00 62.22 H new ATOM 0 HB2 LEU A 90 0.960 10.458 2.071 1.00 72.00 H new ATOM 0 HB3 LEU A 90 0.702 11.379 0.603 1.00 72.00 H new ATOM 0 HG LEU A 90 -0.979 9.046 1.595 1.00 52.21 H new ATOM 0 HD11 LEU A 90 -2.798 10.710 1.804 1.00 61.53 H new ATOM 0 HD12 LEU A 90 -1.409 11.096 2.849 1.00 61.53 H new ATOM 0 HD13 LEU A 90 -1.662 11.997 1.335 1.00 61.53 H new ATOM 0 HD21 LEU A 90 -2.471 9.508 -0.330 1.00 73.01 H new ATOM 0 HD22 LEU A 90 -1.302 10.706 -0.934 1.00 73.01 H new ATOM 0 HD23 LEU A 90 -0.850 8.987 -0.849 1.00 73.01 H new ATOM 1477 N GLY A 91 3.893 9.379 1.100 1.00 31.40 N ATOM 1478 CA GLY A 91 5.302 9.788 1.200 1.00 55.15 C ATOM 1479 C GLY A 91 5.505 11.081 1.991 1.00 44.34 C ATOM 1480 O GLY A 91 6.542 11.743 1.856 1.00 71.33 O ATOM 0 H GLY A 91 3.646 8.595 1.705 1.00 31.40 H new ATOM 0 HA2 GLY A 91 5.872 8.988 1.673 1.00 55.15 H new ATOM 0 HA3 GLY A 91 5.707 9.918 0.196 1.00 55.15 H new ATOM 1484 N ARG A 92 4.517 11.427 2.839 1.00 71.44 N ATOM 1485 CA ARG A 92 4.514 12.693 3.605 1.00 2.42 C ATOM 1486 C ARG A 92 3.921 12.482 5.023 1.00 12.32 C ATOM 1487 O ARG A 92 3.442 11.398 5.356 1.00 52.25 O ATOM 1488 CB ARG A 92 3.689 13.778 2.838 1.00 74.00 C ATOM 1489 CG ARG A 92 2.162 13.519 2.807 1.00 5.31 C ATOM 1490 CD ARG A 92 1.353 14.641 2.136 1.00 25.23 C ATOM 1491 NE ARG A 92 -0.084 14.582 2.501 1.00 0.10 N ATOM 1492 CZ ARG A 92 -1.099 14.592 1.662 1.00 42.14 C ATOM 1493 NH1 ARG A 92 -0.926 14.411 0.392 1.00 23.13 N ATOM 1494 NH2 ARG A 92 -2.305 14.733 2.115 1.00 52.33 N ATOM 0 H ARG A 92 3.701 10.841 3.013 1.00 71.44 H new ATOM 0 HA ARG A 92 5.545 13.031 3.712 1.00 2.42 H new ATOM 0 HB2 ARG A 92 3.871 14.749 3.299 1.00 74.00 H new ATOM 0 HB3 ARG A 92 4.056 13.838 1.813 1.00 74.00 H new ATOM 0 HG2 ARG A 92 1.973 12.583 2.281 1.00 5.31 H new ATOM 0 HG3 ARG A 92 1.805 13.388 3.828 1.00 5.31 H new ATOM 0 HD2 ARG A 92 1.762 15.608 2.428 1.00 25.23 H new ATOM 0 HD3 ARG A 92 1.456 14.565 1.054 1.00 25.23 H new ATOM 0 HE ARG A 92 -0.307 14.529 3.495 1.00 0.10 H new ATOM 0 HH11 ARG A 92 0.012 14.256 0.022 1.00 23.13 H new ATOM 0 HH12 ARG A 92 -1.728 14.423 -0.239 1.00 23.13 H new ATOM 0 HH21 ARG A 92 -2.465 14.836 3.117 1.00 52.33 H new ATOM 0 HH22 ARG A 92 -3.095 14.741 1.469 1.00 52.33 H new ATOM 1508 N ALA A 93 4.004 13.524 5.861 1.00 14.44 N ATOM 1509 CA ALA A 93 3.234 13.614 7.125 1.00 2.45 C ATOM 1510 C ALA A 93 1.820 14.213 6.877 1.00 62.01 C ATOM 1511 O ALA A 93 1.649 14.988 5.925 1.00 72.14 O ATOM 1512 CB ALA A 93 4.005 14.476 8.137 1.00 65.24 C ATOM 0 H ALA A 93 4.604 14.331 5.689 1.00 14.44 H new ATOM 0 HA ALA A 93 3.107 12.609 7.526 1.00 2.45 H new ATOM 0 HB1 ALA A 93 3.438 14.541 9.066 1.00 65.24 H new ATOM 0 HB2 ALA A 93 4.976 14.023 8.336 1.00 65.24 H new ATOM 0 HB3 ALA A 93 4.148 15.476 7.728 1.00 65.24 H new ATOM 1518 N PRO A 94 0.778 13.855 7.707 1.00 34.22 N ATOM 1519 CA PRO A 94 -0.552 14.522 7.645 1.00 22.10 C ATOM 1520 C PRO A 94 -0.458 16.021 8.056 1.00 34.22 C ATOM 1521 O PRO A 94 0.261 16.375 9.001 1.00 11.53 O ATOM 1522 CB PRO A 94 -1.430 13.686 8.615 1.00 24.24 C ATOM 1523 CG PRO A 94 -0.445 13.063 9.565 1.00 31.34 C ATOM 1524 CD PRO A 94 0.790 12.771 8.731 1.00 23.42 C ATOM 0 HA PRO A 94 -0.971 14.548 6.639 1.00 22.10 H new ATOM 0 HB2 PRO A 94 -2.149 14.314 9.142 1.00 24.24 H new ATOM 0 HB3 PRO A 94 -2.001 12.927 8.080 1.00 24.24 H new ATOM 0 HG2 PRO A 94 -0.212 13.738 10.388 1.00 31.34 H new ATOM 0 HG3 PRO A 94 -0.847 12.150 10.005 1.00 31.34 H new ATOM 0 HD2 PRO A 94 1.698 12.797 9.334 1.00 23.42 H new ATOM 0 HD3 PRO A 94 0.741 11.784 8.272 1.00 23.42 H new ATOM 1532 N ILE A 95 -1.202 16.888 7.349 1.00 70.15 N ATOM 1533 CA ILE A 95 -0.971 18.356 7.379 1.00 75.11 C ATOM 1534 C ILE A 95 -1.641 19.036 8.603 1.00 23.23 C ATOM 1535 O ILE A 95 -1.015 19.864 9.283 1.00 74.50 O ATOM 1536 CB ILE A 95 -1.434 19.041 6.020 1.00 24.01 C ATOM 1537 CG1 ILE A 95 -0.435 18.726 4.840 1.00 24.01 C ATOM 1538 CG2 ILE A 95 -1.623 20.578 6.170 1.00 64.24 C ATOM 1539 CD1 ILE A 95 -0.347 17.274 4.402 1.00 15.35 C ATOM 0 H ILE A 95 -1.973 16.603 6.745 1.00 70.15 H new ATOM 0 HA ILE A 95 0.104 18.502 7.484 1.00 75.11 H new ATOM 0 HB ILE A 95 -2.404 18.609 5.775 1.00 24.01 H new ATOM 0 HG12 ILE A 95 -0.724 19.327 3.978 1.00 24.01 H new ATOM 0 HG13 ILE A 95 0.561 19.054 5.138 1.00 24.01 H new ATOM 0 HG21 ILE A 95 -1.939 21.000 5.216 1.00 64.24 H new ATOM 0 HG22 ILE A 95 -2.382 20.779 6.926 1.00 64.24 H new ATOM 0 HG23 ILE A 95 -0.680 21.033 6.473 1.00 64.24 H new ATOM 0 HD11 ILE A 95 0.370 17.183 3.586 1.00 15.35 H new ATOM 0 HD12 ILE A 95 -0.022 16.660 5.242 1.00 15.35 H new ATOM 0 HD13 ILE A 95 -1.326 16.936 4.063 1.00 15.35 H new ATOM 1551 N ASP A 96 -2.884 18.649 8.925 1.00 34.11 N ATOM 1552 CA ASP A 96 -3.717 19.364 9.917 1.00 43.50 C ATOM 1553 C ASP A 96 -4.768 18.384 10.500 1.00 12.35 C ATOM 1554 O ASP A 96 -5.029 17.332 9.905 1.00 52.12 O ATOM 1555 CB ASP A 96 -4.391 20.607 9.254 1.00 52.21 C ATOM 1556 CG ASP A 96 -5.166 21.485 10.254 1.00 35.04 C ATOM 1557 OD1 ASP A 96 -4.541 22.332 10.926 1.00 52.31 O ATOM 1558 OD2 ASP A 96 -6.396 21.310 10.393 1.00 43.35 O ATOM 0 H ASP A 96 -3.343 17.837 8.511 1.00 34.11 H new ATOM 0 HA ASP A 96 -3.095 19.727 10.735 1.00 43.50 H new ATOM 0 HB2 ASP A 96 -3.625 21.211 8.768 1.00 52.21 H new ATOM 0 HB3 ASP A 96 -5.073 20.269 8.474 1.00 52.21 H new ATOM 1563 N GLN A 97 -5.348 18.719 11.677 1.00 52.45 N ATOM 1564 CA GLN A 97 -6.406 17.900 12.334 1.00 73.22 C ATOM 1565 C GLN A 97 -7.613 17.631 11.406 1.00 71.54 C ATOM 1566 O GLN A 97 -8.209 16.567 11.470 1.00 22.32 O ATOM 1567 CB GLN A 97 -6.893 18.592 13.635 1.00 23.35 C ATOM 1568 CG GLN A 97 -5.785 18.862 14.674 1.00 23.34 C ATOM 1569 CD GLN A 97 -5.091 17.589 15.183 1.00 24.55 C ATOM 1570 OE1 GLN A 97 -4.011 17.189 14.538 1.00 52.33 O flip ATOM 1571 NE2 GLN A 97 -5.519 16.977 16.158 1.00 20.30 N flip ATOM 0 H GLN A 97 -5.100 19.559 12.199 1.00 52.45 H new ATOM 0 HA GLN A 97 -5.955 16.937 12.572 1.00 73.22 H new ATOM 0 HB2 GLN A 97 -7.365 19.539 13.372 1.00 23.35 H new ATOM 0 HB3 GLN A 97 -7.661 17.970 14.096 1.00 23.35 H new ATOM 0 HG2 GLN A 97 -5.037 19.521 14.232 1.00 23.34 H new ATOM 0 HG3 GLN A 97 -6.216 19.394 15.522 1.00 23.34 H new ATOM 0 HE21 GLN A 97 -6.356 17.306 16.640 1.00 20.30 H new ATOM 0 HE22 GLN A 97 -5.038 16.140 16.486 1.00 20.30 H new ATOM 1580 N ALA A 98 -7.969 18.618 10.571 1.00 43.45 N ATOM 1581 CA ALA A 98 -9.035 18.476 9.551 1.00 11.12 C ATOM 1582 C ALA A 98 -8.783 17.273 8.596 1.00 60.53 C ATOM 1583 O ALA A 98 -9.707 16.513 8.287 1.00 42.52 O ATOM 1584 CB ALA A 98 -9.160 19.783 8.759 1.00 14.41 C ATOM 0 H ALA A 98 -7.531 19.539 10.578 1.00 43.45 H new ATOM 0 HA ALA A 98 -9.972 18.271 10.069 1.00 11.12 H new ATOM 0 HB1 ALA A 98 -9.944 19.680 8.008 1.00 14.41 H new ATOM 0 HB2 ALA A 98 -9.413 20.597 9.438 1.00 14.41 H new ATOM 0 HB3 ALA A 98 -8.213 20.002 8.267 1.00 14.41 H new ATOM 1590 N GLU A 99 -7.515 17.109 8.167 1.00 21.12 N ATOM 1591 CA GLU A 99 -7.082 15.992 7.290 1.00 64.42 C ATOM 1592 C GLU A 99 -7.046 14.642 8.058 1.00 21.31 C ATOM 1593 O GLU A 99 -7.438 13.597 7.521 1.00 63.51 O ATOM 1594 CB GLU A 99 -5.682 16.306 6.683 1.00 63.40 C ATOM 1595 CG GLU A 99 -5.138 15.225 5.718 1.00 1.23 C ATOM 1596 CD GLU A 99 -3.832 15.626 5.009 1.00 41.14 C ATOM 1597 OE1 GLU A 99 -3.854 16.603 4.231 1.00 33.53 O ATOM 1598 OE2 GLU A 99 -2.792 14.957 5.196 1.00 61.11 O ATOM 0 H GLU A 99 -6.758 17.746 8.417 1.00 21.12 H new ATOM 0 HA GLU A 99 -7.811 15.894 6.486 1.00 64.42 H new ATOM 0 HB2 GLU A 99 -5.737 17.255 6.150 1.00 63.40 H new ATOM 0 HB3 GLU A 99 -4.970 16.439 7.497 1.00 63.40 H new ATOM 0 HG2 GLU A 99 -4.969 14.304 6.277 1.00 1.23 H new ATOM 0 HG3 GLU A 99 -5.897 15.007 4.966 1.00 1.23 H new ATOM 1605 N ILE A 100 -6.577 14.686 9.320 1.00 62.51 N ATOM 1606 CA ILE A 100 -6.429 13.483 10.178 1.00 62.32 C ATOM 1607 C ILE A 100 -7.808 12.889 10.578 1.00 62.41 C ATOM 1608 O ILE A 100 -8.062 11.705 10.361 1.00 71.20 O ATOM 1609 CB ILE A 100 -5.580 13.821 11.463 1.00 52.24 C ATOM 1610 CG1 ILE A 100 -4.174 14.363 11.046 1.00 43.53 C ATOM 1611 CG2 ILE A 100 -5.458 12.595 12.411 1.00 41.41 C ATOM 1612 CD1 ILE A 100 -3.272 14.792 12.191 1.00 30.24 C ATOM 0 H ILE A 100 -6.289 15.551 9.777 1.00 62.51 H new ATOM 0 HA ILE A 100 -5.901 12.727 9.596 1.00 62.32 H new ATOM 0 HB ILE A 100 -6.100 14.599 12.022 1.00 52.24 H new ATOM 0 HG12 ILE A 100 -3.662 13.590 10.473 1.00 43.53 H new ATOM 0 HG13 ILE A 100 -4.315 15.214 10.379 1.00 43.53 H new ATOM 0 HG21 ILE A 100 -4.866 12.868 13.285 1.00 41.41 H new ATOM 0 HG22 ILE A 100 -6.452 12.281 12.730 1.00 41.41 H new ATOM 0 HG23 ILE A 100 -4.970 11.775 11.884 1.00 41.41 H new ATOM 0 HD11 ILE A 100 -2.323 15.151 11.792 1.00 30.24 H new ATOM 0 HD12 ILE A 100 -3.754 15.591 12.754 1.00 30.24 H new ATOM 0 HD13 ILE A 100 -3.091 13.942 12.849 1.00 30.24 H new ATOM 1624 N ARG A 101 -8.688 13.741 11.147 1.00 15.00 N ATOM 1625 CA ARG A 101 -10.088 13.373 11.499 1.00 50.41 C ATOM 1626 C ARG A 101 -10.867 12.830 10.275 1.00 3.21 C ATOM 1627 O ARG A 101 -11.743 11.976 10.424 1.00 3.41 O ATOM 1628 CB ARG A 101 -10.846 14.595 12.095 1.00 44.42 C ATOM 1629 CG ARG A 101 -10.247 15.154 13.406 1.00 0.31 C ATOM 1630 CD ARG A 101 -11.087 16.298 14.013 1.00 1.21 C ATOM 1631 NE ARG A 101 -11.279 17.439 13.090 1.00 34.43 N ATOM 1632 CZ ARG A 101 -12.207 18.377 13.225 1.00 43.40 C ATOM 1633 NH1 ARG A 101 -13.046 18.366 14.220 1.00 71.44 N ATOM 1634 NH2 ARG A 101 -12.295 19.326 12.354 1.00 0.33 N ATOM 0 H ARG A 101 -8.453 14.706 11.378 1.00 15.00 H new ATOM 0 HA ARG A 101 -10.030 12.582 12.246 1.00 50.41 H new ATOM 0 HB2 ARG A 101 -10.863 15.392 11.351 1.00 44.42 H new ATOM 0 HB3 ARG A 101 -11.881 14.308 12.279 1.00 44.42 H new ATOM 0 HG2 ARG A 101 -10.163 14.347 14.134 1.00 0.31 H new ATOM 0 HG3 ARG A 101 -9.237 15.515 13.212 1.00 0.31 H new ATOM 0 HD2 ARG A 101 -12.062 15.908 14.304 1.00 1.21 H new ATOM 0 HD3 ARG A 101 -10.601 16.653 14.922 1.00 1.21 H new ATOM 0 HE ARG A 101 -10.650 17.509 12.290 1.00 34.43 H new ATOM 0 HH11 ARG A 101 -12.999 17.624 14.919 1.00 71.44 H new ATOM 0 HH12 ARG A 101 -13.751 19.099 14.301 1.00 71.44 H new ATOM 0 HH21 ARG A 101 -11.651 19.354 11.563 1.00 0.33 H new ATOM 0 HH22 ARG A 101 -13.008 20.048 12.457 1.00 0.33 H new ATOM 1648 N LYS A 102 -10.535 13.358 9.078 1.00 55.30 N ATOM 1649 CA LYS A 102 -11.093 12.883 7.793 1.00 53.34 C ATOM 1650 C LYS A 102 -10.734 11.392 7.552 1.00 4.42 C ATOM 1651 O LYS A 102 -11.627 10.577 7.305 1.00 22.34 O ATOM 1652 CB LYS A 102 -10.586 13.813 6.642 1.00 41.13 C ATOM 1653 CG LYS A 102 -11.119 13.517 5.203 1.00 52.34 C ATOM 1654 CD LYS A 102 -10.273 12.486 4.406 1.00 4.40 C ATOM 1655 CE LYS A 102 -8.821 12.946 4.176 1.00 21.44 C ATOM 1656 NZ LYS A 102 -8.742 14.219 3.411 1.00 74.03 N ATOM 0 H LYS A 102 -9.872 14.126 8.975 1.00 55.30 H new ATOM 0 HA LYS A 102 -12.181 12.935 7.819 1.00 53.34 H new ATOM 0 HB2 LYS A 102 -10.849 14.840 6.896 1.00 41.13 H new ATOM 0 HB3 LYS A 102 -9.498 13.759 6.618 1.00 41.13 H new ATOM 0 HG2 LYS A 102 -12.143 13.150 5.276 1.00 52.34 H new ATOM 0 HG3 LYS A 102 -11.154 14.451 4.642 1.00 52.34 H new ATOM 0 HD2 LYS A 102 -10.267 11.537 4.943 1.00 4.40 H new ATOM 0 HD3 LYS A 102 -10.747 12.303 3.442 1.00 4.40 H new ATOM 0 HE2 LYS A 102 -8.327 13.073 5.139 1.00 21.44 H new ATOM 0 HE3 LYS A 102 -8.278 12.169 3.639 1.00 21.44 H new ATOM 0 HZ1 LYS A 102 -7.746 14.442 3.209 1.00 74.03 H new ATOM 0 HZ2 LYS A 102 -9.263 14.119 2.516 1.00 74.03 H new ATOM 0 HZ3 LYS A 102 -9.162 14.988 3.972 1.00 74.03 H new ATOM 1670 N TYR A 103 -9.425 11.046 7.656 1.00 43.11 N ATOM 1671 CA TYR A 103 -8.940 9.646 7.470 1.00 42.34 C ATOM 1672 C TYR A 103 -9.482 8.692 8.567 1.00 72.15 C ATOM 1673 O TYR A 103 -9.775 7.519 8.290 1.00 21.23 O ATOM 1674 CB TYR A 103 -7.386 9.583 7.434 1.00 75.20 C ATOM 1675 CG TYR A 103 -6.736 10.126 6.149 1.00 61.15 C ATOM 1676 CD1 TYR A 103 -7.056 9.582 4.898 1.00 21.44 C ATOM 1677 CD2 TYR A 103 -5.800 11.168 6.181 1.00 31.55 C ATOM 1678 CE1 TYR A 103 -6.473 10.058 3.738 1.00 53.01 C ATOM 1679 CE2 TYR A 103 -5.216 11.643 5.023 1.00 1.14 C ATOM 1680 CZ TYR A 103 -5.554 11.089 3.808 1.00 11.55 C ATOM 1681 OH TYR A 103 -4.971 11.569 2.659 1.00 45.33 O ATOM 0 H TYR A 103 -8.684 11.714 7.867 1.00 43.11 H new ATOM 0 HA TYR A 103 -9.327 9.310 6.508 1.00 42.34 H new ATOM 0 HB2 TYR A 103 -6.996 10.144 8.284 1.00 75.20 H new ATOM 0 HB3 TYR A 103 -7.078 8.546 7.568 1.00 75.20 H new ATOM 0 HD1 TYR A 103 -7.772 8.775 4.839 1.00 21.44 H new ATOM 0 HD2 TYR A 103 -5.530 11.608 7.129 1.00 31.55 H new ATOM 0 HE1 TYR A 103 -6.734 9.627 2.783 1.00 53.01 H new ATOM 0 HE2 TYR A 103 -4.496 12.447 5.070 1.00 1.14 H new ATOM 0 HH TYR A 103 -4.350 12.293 2.885 1.00 45.33 H new ATOM 1691 N ASN A 104 -9.615 9.200 9.809 1.00 23.25 N ATOM 1692 CA ASN A 104 -10.162 8.445 10.960 1.00 41.21 C ATOM 1693 C ASN A 104 -11.664 8.149 10.776 1.00 70.41 C ATOM 1694 O ASN A 104 -12.151 7.078 11.153 1.00 32.22 O ATOM 1695 CB ASN A 104 -9.915 9.288 12.246 1.00 54.51 C ATOM 1696 CG ASN A 104 -10.368 8.636 13.550 1.00 33.44 C ATOM 1697 OD1 ASN A 104 -10.452 7.423 13.663 1.00 52.40 O ATOM 1698 ND2 ASN A 104 -10.624 9.440 14.560 1.00 32.03 N ATOM 0 H ASN A 104 -9.344 10.154 10.046 1.00 23.25 H new ATOM 0 HA ASN A 104 -9.661 7.480 11.039 1.00 41.21 H new ATOM 0 HB2 ASN A 104 -8.849 9.506 12.319 1.00 54.51 H new ATOM 0 HB3 ASN A 104 -10.429 10.243 12.139 1.00 54.51 H new ATOM 0 HD21 ASN A 104 -10.900 9.053 15.463 1.00 32.03 H new ATOM 0 HD22 ASN A 104 -10.547 10.450 14.440 1.00 32.03 H new ATOM 1705 N GLN A 105 -12.380 9.123 10.183 1.00 41.54 N ATOM 1706 CA GLN A 105 -13.815 8.998 9.872 1.00 21.42 C ATOM 1707 C GLN A 105 -14.043 7.940 8.768 1.00 63.14 C ATOM 1708 O GLN A 105 -15.072 7.278 8.756 1.00 65.41 O ATOM 1709 CB GLN A 105 -14.398 10.375 9.442 1.00 3.03 C ATOM 1710 CG GLN A 105 -15.942 10.435 9.330 1.00 30.30 C ATOM 1711 CD GLN A 105 -16.675 10.206 10.665 1.00 31.23 C ATOM 1712 OE1 GLN A 105 -16.165 10.513 11.739 1.00 0.25 O ATOM 1713 NE2 GLN A 105 -17.884 9.684 10.609 1.00 13.33 N ATOM 0 H GLN A 105 -11.979 10.019 9.906 1.00 41.54 H new ATOM 0 HA GLN A 105 -14.336 8.669 10.771 1.00 21.42 H new ATOM 0 HB2 GLN A 105 -14.073 11.129 10.159 1.00 3.03 H new ATOM 0 HB3 GLN A 105 -13.969 10.647 8.477 1.00 3.03 H new ATOM 0 HG2 GLN A 105 -16.230 11.408 8.931 1.00 30.30 H new ATOM 0 HG3 GLN A 105 -16.274 9.685 8.612 1.00 30.30 H new ATOM 0 HE21 GLN A 105 -18.291 9.435 9.707 1.00 13.33 H new ATOM 0 HE22 GLN A 105 -18.413 9.529 11.467 1.00 13.33 H new ATOM 1722 N ILE A 106 -13.053 7.787 7.854 1.00 72.41 N ATOM 1723 CA ILE A 106 -13.086 6.750 6.796 1.00 60.21 C ATOM 1724 C ILE A 106 -13.008 5.335 7.423 1.00 14.31 C ATOM 1725 O ILE A 106 -13.715 4.427 6.997 1.00 13.33 O ATOM 1726 CB ILE A 106 -11.928 6.940 5.741 1.00 73.04 C ATOM 1727 CG1 ILE A 106 -12.016 8.341 5.054 1.00 64.20 C ATOM 1728 CG2 ILE A 106 -11.946 5.814 4.677 1.00 41.14 C ATOM 1729 CD1 ILE A 106 -10.875 8.658 4.091 1.00 63.54 C ATOM 0 H ILE A 106 -12.218 8.373 7.830 1.00 72.41 H new ATOM 0 HA ILE A 106 -14.033 6.859 6.268 1.00 60.21 H new ATOM 0 HB ILE A 106 -10.983 6.882 6.281 1.00 73.04 H new ATOM 0 HG12 ILE A 106 -12.959 8.404 4.511 1.00 64.20 H new ATOM 0 HG13 ILE A 106 -12.042 9.108 5.828 1.00 64.20 H new ATOM 0 HG21 ILE A 106 -11.136 5.973 3.965 1.00 41.14 H new ATOM 0 HG22 ILE A 106 -11.814 4.849 5.166 1.00 41.14 H new ATOM 0 HG23 ILE A 106 -12.900 5.826 4.150 1.00 41.14 H new ATOM 0 HD11 ILE A 106 -11.024 9.650 3.665 1.00 63.54 H new ATOM 0 HD12 ILE A 106 -9.927 8.633 4.629 1.00 63.54 H new ATOM 0 HD13 ILE A 106 -10.858 7.918 3.291 1.00 63.54 H new ATOM 1741 N LEU A 107 -12.153 5.180 8.454 1.00 3.53 N ATOM 1742 CA LEU A 107 -12.021 3.915 9.218 1.00 75.24 C ATOM 1743 C LEU A 107 -13.273 3.626 10.086 1.00 45.21 C ATOM 1744 O LEU A 107 -13.701 2.468 10.203 1.00 3.01 O ATOM 1745 CB LEU A 107 -10.739 3.960 10.101 1.00 71.32 C ATOM 1746 CG LEU A 107 -9.386 3.900 9.325 1.00 1.34 C ATOM 1747 CD1 LEU A 107 -8.173 3.985 10.263 1.00 12.43 C ATOM 1748 CD2 LEU A 107 -9.309 2.631 8.466 1.00 5.31 C ATOM 0 H LEU A 107 -11.535 5.922 8.782 1.00 3.53 H new ATOM 0 HA LEU A 107 -11.935 3.099 8.500 1.00 75.24 H new ATOM 0 HB2 LEU A 107 -10.758 4.875 10.692 1.00 71.32 H new ATOM 0 HB3 LEU A 107 -10.773 3.126 10.803 1.00 71.32 H new ATOM 0 HG LEU A 107 -9.354 4.773 8.673 1.00 1.34 H new ATOM 0 HD11 LEU A 107 -7.255 3.939 9.676 1.00 12.43 H new ATOM 0 HD12 LEU A 107 -8.205 4.925 10.814 1.00 12.43 H new ATOM 0 HD13 LEU A 107 -8.197 3.151 10.965 1.00 12.43 H new ATOM 0 HD21 LEU A 107 -8.358 2.609 7.934 1.00 5.31 H new ATOM 0 HD22 LEU A 107 -9.386 1.753 9.107 1.00 5.31 H new ATOM 0 HD23 LEU A 107 -10.128 2.628 7.746 1.00 5.31 H new ATOM 1760 N ALA A 108 -13.850 4.693 10.671 1.00 33.01 N ATOM 1761 CA ALA A 108 -15.046 4.599 11.541 1.00 3.15 C ATOM 1762 C ALA A 108 -16.313 4.162 10.750 1.00 62.10 C ATOM 1763 O ALA A 108 -17.039 3.259 11.174 1.00 23.34 O ATOM 1764 CB ALA A 108 -15.274 5.949 12.249 1.00 14.34 C ATOM 0 H ALA A 108 -13.503 5.645 10.556 1.00 33.01 H new ATOM 0 HA ALA A 108 -14.864 3.826 12.288 1.00 3.15 H new ATOM 0 HB1 ALA A 108 -16.154 5.880 12.889 1.00 14.34 H new ATOM 0 HB2 ALA A 108 -14.402 6.194 12.856 1.00 14.34 H new ATOM 0 HB3 ALA A 108 -15.428 6.729 11.504 1.00 14.34 H new ATOM 1770 N THR A 109 -16.540 4.813 9.594 1.00 70.42 N ATOM 1771 CA THR A 109 -17.698 4.546 8.706 1.00 23.31 C ATOM 1772 C THR A 109 -17.511 3.239 7.903 1.00 62.44 C ATOM 1773 O THR A 109 -18.364 2.348 7.932 1.00 32.42 O ATOM 1774 CB THR A 109 -17.923 5.727 7.693 1.00 21.52 C ATOM 1775 OG1 THR A 109 -16.723 5.961 6.927 1.00 5.12 O ATOM 1776 CG2 THR A 109 -18.328 7.028 8.417 1.00 72.13 C ATOM 0 H THR A 109 -15.923 5.546 9.243 1.00 70.42 H new ATOM 0 HA THR A 109 -18.568 4.448 9.355 1.00 23.31 H new ATOM 0 HB THR A 109 -18.736 5.437 7.028 1.00 21.52 H new ATOM 0 HG1 THR A 109 -16.071 6.442 7.479 1.00 5.12 H new ATOM 0 HG21 THR A 109 -18.475 7.822 7.684 1.00 72.13 H new ATOM 0 HG22 THR A 109 -19.255 6.865 8.966 1.00 72.13 H new ATOM 0 HG23 THR A 109 -17.540 7.318 9.113 1.00 72.13 H new ATOM 1784 N GLN A 110 -16.357 3.136 7.226 1.00 32.30 N ATOM 1785 CA GLN A 110 -16.078 2.083 6.224 1.00 21.31 C ATOM 1786 C GLN A 110 -14.983 1.106 6.722 1.00 73.41 C ATOM 1787 O GLN A 110 -15.304 -0.034 7.079 1.00 25.34 O ATOM 1788 CB GLN A 110 -15.672 2.763 4.893 1.00 34.53 C ATOM 1789 CG GLN A 110 -16.722 3.756 4.364 1.00 52.05 C ATOM 1790 CD GLN A 110 -16.187 4.712 3.300 1.00 73.13 C ATOM 1791 OE1 GLN A 110 -16.244 4.437 2.106 1.00 41.21 O ATOM 1792 NE2 GLN A 110 -15.648 5.837 3.730 1.00 23.10 N ATOM 0 H GLN A 110 -15.581 3.785 7.356 1.00 32.30 H new ATOM 0 HA GLN A 110 -16.975 1.485 6.064 1.00 21.31 H new ATOM 0 HB2 GLN A 110 -14.727 3.288 5.036 1.00 34.53 H new ATOM 0 HB3 GLN A 110 -15.499 1.994 4.140 1.00 34.53 H new ATOM 0 HG2 GLN A 110 -17.560 3.197 3.948 1.00 52.05 H new ATOM 0 HG3 GLN A 110 -17.111 4.338 5.199 1.00 52.05 H new ATOM 0 HE21 GLN A 110 -15.615 6.037 4.730 1.00 23.10 H new ATOM 0 HE22 GLN A 110 -15.264 6.506 3.063 1.00 23.10 H new ATOM 1801 N GLY A 111 -13.699 1.542 6.755 1.00 61.24 N ATOM 1802 CA GLY A 111 -12.594 0.656 7.158 1.00 74.34 C ATOM 1803 C GLY A 111 -11.332 0.836 6.320 1.00 3.11 C ATOM 1804 O GLY A 111 -11.246 1.739 5.477 1.00 44.42 O ATOM 0 H GLY A 111 -13.412 2.490 6.510 1.00 61.24 H new ATOM 0 HA2 GLY A 111 -12.354 0.841 8.205 1.00 74.34 H new ATOM 0 HA3 GLY A 111 -12.924 -0.380 7.085 1.00 74.34 H new ATOM 1808 N ILE A 112 -10.341 -0.048 6.585 1.00 13.14 N ATOM 1809 CA ILE A 112 -9.001 -0.042 5.944 1.00 2.05 C ATOM 1810 C ILE A 112 -9.051 -0.031 4.404 1.00 72.13 C ATOM 1811 O ILE A 112 -8.232 0.625 3.772 1.00 22.15 O ATOM 1812 CB ILE A 112 -8.128 -1.252 6.487 1.00 22.42 C ATOM 1813 CG1 ILE A 112 -7.476 -0.875 7.850 1.00 61.41 C ATOM 1814 CG2 ILE A 112 -7.054 -1.750 5.480 1.00 42.24 C ATOM 1815 CD1 ILE A 112 -6.469 0.274 7.782 1.00 21.13 C ATOM 0 H ILE A 112 -10.451 -0.801 7.264 1.00 13.14 H new ATOM 0 HA ILE A 112 -8.525 0.898 6.224 1.00 2.05 H new ATOM 0 HB ILE A 112 -8.813 -2.088 6.627 1.00 22.42 H new ATOM 0 HG12 ILE A 112 -8.265 -0.607 8.553 1.00 61.41 H new ATOM 0 HG13 ILE A 112 -6.975 -1.755 8.253 1.00 61.41 H new ATOM 0 HG21 ILE A 112 -6.498 -2.577 5.921 1.00 42.24 H new ATOM 0 HG22 ILE A 112 -7.542 -2.087 4.565 1.00 42.24 H new ATOM 0 HG23 ILE A 112 -6.369 -0.935 5.247 1.00 42.24 H new ATOM 0 HD11 ILE A 112 -6.068 0.465 8.777 1.00 21.13 H new ATOM 0 HD12 ILE A 112 -5.655 0.005 7.108 1.00 21.13 H new ATOM 0 HD13 ILE A 112 -6.965 1.171 7.412 1.00 21.13 H new ATOM 1827 N ARG A 113 -10.019 -0.734 3.822 1.00 11.10 N ATOM 1828 CA ARG A 113 -10.139 -0.855 2.349 1.00 50.32 C ATOM 1829 C ARG A 113 -10.353 0.529 1.691 1.00 10.41 C ATOM 1830 O ARG A 113 -9.617 0.918 0.782 1.00 42.22 O ATOM 1831 CB ARG A 113 -11.288 -1.827 1.987 1.00 74.21 C ATOM 1832 CG ARG A 113 -11.153 -3.221 2.634 1.00 50.23 C ATOM 1833 CD ARG A 113 -9.847 -3.940 2.247 1.00 41.22 C ATOM 1834 NE ARG A 113 -9.613 -5.130 3.080 1.00 64.24 N ATOM 1835 CZ ARG A 113 -9.092 -6.264 2.669 1.00 70.00 C ATOM 1836 NH1 ARG A 113 -8.805 -6.465 1.420 1.00 54.32 N ATOM 1837 NH2 ARG A 113 -8.893 -7.212 3.520 1.00 32.54 N ATOM 0 H ARG A 113 -10.741 -1.235 4.340 1.00 11.10 H new ATOM 0 HA ARG A 113 -9.206 -1.261 1.959 1.00 50.32 H new ATOM 0 HB2 ARG A 113 -12.236 -1.385 2.294 1.00 74.21 H new ATOM 0 HB3 ARG A 113 -11.326 -1.942 0.904 1.00 74.21 H new ATOM 0 HG2 ARG A 113 -11.197 -3.118 3.718 1.00 50.23 H new ATOM 0 HG3 ARG A 113 -12.002 -3.837 2.337 1.00 50.23 H new ATOM 0 HD2 ARG A 113 -9.890 -4.233 1.198 1.00 41.22 H new ATOM 0 HD3 ARG A 113 -9.008 -3.252 2.352 1.00 41.22 H new ATOM 0 HE ARG A 113 -9.879 -5.069 4.063 1.00 64.24 H new ATOM 0 HH11 ARG A 113 -8.983 -5.734 0.732 1.00 54.32 H new ATOM 0 HH12 ARG A 113 -8.401 -7.354 1.126 1.00 54.32 H new ATOM 0 HH21 ARG A 113 -9.139 -7.077 4.501 1.00 32.54 H new ATOM 0 HH22 ARG A 113 -8.489 -8.097 3.213 1.00 32.54 H new ATOM 1851 N ALA A 114 -11.342 1.268 2.210 1.00 73.45 N ATOM 1852 CA ALA A 114 -11.637 2.652 1.779 1.00 2.55 C ATOM 1853 C ALA A 114 -10.480 3.640 2.111 1.00 21.13 C ATOM 1854 O ALA A 114 -10.202 4.552 1.331 1.00 53.31 O ATOM 1855 CB ALA A 114 -12.947 3.123 2.415 1.00 30.14 C ATOM 0 H ALA A 114 -11.965 0.928 2.943 1.00 73.45 H new ATOM 0 HA ALA A 114 -11.739 2.644 0.694 1.00 2.55 H new ATOM 0 HB1 ALA A 114 -13.161 4.143 2.095 1.00 30.14 H new ATOM 0 HB2 ALA A 114 -13.760 2.467 2.103 1.00 30.14 H new ATOM 0 HB3 ALA A 114 -12.855 3.095 3.501 1.00 30.14 H new ATOM 1861 N PHE A 115 -9.832 3.444 3.282 1.00 30.33 N ATOM 1862 CA PHE A 115 -8.700 4.280 3.764 1.00 40.12 C ATOM 1863 C PHE A 115 -7.449 4.174 2.852 1.00 61.31 C ATOM 1864 O PHE A 115 -6.929 5.190 2.380 1.00 51.14 O ATOM 1865 CB PHE A 115 -8.378 3.856 5.224 1.00 53.34 C ATOM 1866 CG PHE A 115 -7.049 4.354 5.801 1.00 4.13 C ATOM 1867 CD1 PHE A 115 -6.868 5.695 6.151 1.00 61.30 C ATOM 1868 CD2 PHE A 115 -5.983 3.466 6.004 1.00 24.33 C ATOM 1869 CE1 PHE A 115 -5.665 6.128 6.680 1.00 44.42 C ATOM 1870 CE2 PHE A 115 -4.787 3.901 6.529 1.00 64.53 C ATOM 1871 CZ PHE A 115 -4.626 5.232 6.868 1.00 63.21 C ATOM 0 H PHE A 115 -10.080 2.695 3.928 1.00 30.33 H new ATOM 0 HA PHE A 115 -8.993 5.329 3.732 1.00 40.12 H new ATOM 0 HB2 PHE A 115 -9.184 4.209 5.868 1.00 53.34 H new ATOM 0 HB3 PHE A 115 -8.385 2.767 5.273 1.00 53.34 H new ATOM 0 HD1 PHE A 115 -7.674 6.399 6.007 1.00 61.30 H new ATOM 0 HD2 PHE A 115 -6.102 2.424 5.744 1.00 24.33 H new ATOM 0 HE1 PHE A 115 -5.536 7.167 6.947 1.00 44.42 H new ATOM 0 HE2 PHE A 115 -3.976 3.204 6.676 1.00 64.53 H new ATOM 0 HZ PHE A 115 -3.688 5.573 7.280 1.00 63.21 H new ATOM 1881 N ILE A 116 -6.966 2.935 2.647 1.00 15.41 N ATOM 1882 CA ILE A 116 -5.830 2.635 1.744 1.00 32.14 C ATOM 1883 C ILE A 116 -6.127 3.130 0.309 1.00 24.42 C ATOM 1884 O ILE A 116 -5.280 3.761 -0.308 1.00 54.22 O ATOM 1885 CB ILE A 116 -5.478 1.094 1.740 1.00 61.12 C ATOM 1886 CG1 ILE A 116 -5.072 0.612 3.175 1.00 63.52 C ATOM 1887 CG2 ILE A 116 -4.370 0.750 0.703 1.00 21.52 C ATOM 1888 CD1 ILE A 116 -3.828 1.266 3.763 1.00 42.45 C ATOM 0 H ILE A 116 -7.351 2.108 3.103 1.00 15.41 H new ATOM 0 HA ILE A 116 -4.960 3.170 2.124 1.00 32.14 H new ATOM 0 HB ILE A 116 -6.377 0.558 1.438 1.00 61.12 H new ATOM 0 HG12 ILE A 116 -5.909 0.793 3.850 1.00 63.52 H new ATOM 0 HG13 ILE A 116 -4.914 -0.466 3.145 1.00 63.52 H new ATOM 0 HG21 ILE A 116 -4.161 -0.319 0.735 1.00 21.52 H new ATOM 0 HG22 ILE A 116 -4.709 1.023 -0.296 1.00 21.52 H new ATOM 0 HG23 ILE A 116 -3.463 1.305 0.942 1.00 21.52 H new ATOM 0 HD11 ILE A 116 -3.639 0.860 4.757 1.00 42.45 H new ATOM 0 HD12 ILE A 116 -2.972 1.064 3.119 1.00 42.45 H new ATOM 0 HD13 ILE A 116 -3.982 2.343 3.835 1.00 42.45 H new ATOM 1900 N ASN A 117 -7.355 2.866 -0.183 1.00 12.34 N ATOM 1901 CA ASN A 117 -7.839 3.382 -1.489 1.00 13.15 C ATOM 1902 C ASN A 117 -7.790 4.940 -1.564 1.00 74.02 C ATOM 1903 O ASN A 117 -7.442 5.500 -2.604 1.00 34.40 O ATOM 1904 CB ASN A 117 -9.278 2.868 -1.752 1.00 12.30 C ATOM 1905 CG ASN A 117 -9.878 3.366 -3.069 1.00 53.25 C ATOM 1906 OD1 ASN A 117 -9.579 2.700 -4.165 1.00 41.53 O flip ATOM 1907 ND2 ASN A 117 -10.585 4.368 -3.104 1.00 34.31 N flip ATOM 0 H ASN A 117 -8.040 2.292 0.308 1.00 12.34 H new ATOM 0 HA ASN A 117 -7.170 3.008 -2.264 1.00 13.15 H new ATOM 0 HB2 ASN A 117 -9.270 1.778 -1.756 1.00 12.30 H new ATOM 0 HB3 ASN A 117 -9.922 3.179 -0.929 1.00 12.30 H new ATOM 0 HD21 ASN A 117 -10.804 4.868 -2.242 1.00 34.31 H new ATOM 0 HD22 ASN A 117 -10.954 4.701 -3.995 1.00 34.31 H new ATOM 1914 N ALA A 118 -8.138 5.621 -0.449 1.00 64.14 N ATOM 1915 CA ALA A 118 -8.095 7.104 -0.353 1.00 11.01 C ATOM 1916 C ALA A 118 -6.648 7.641 -0.505 1.00 22.00 C ATOM 1917 O ALA A 118 -6.419 8.638 -1.197 1.00 54.44 O ATOM 1918 CB ALA A 118 -8.714 7.577 0.978 1.00 4.30 C ATOM 0 H ALA A 118 -8.455 5.165 0.406 1.00 64.14 H new ATOM 0 HA ALA A 118 -8.685 7.508 -1.175 1.00 11.01 H new ATOM 0 HB1 ALA A 118 -8.674 8.665 1.031 1.00 4.30 H new ATOM 0 HB2 ALA A 118 -9.752 7.249 1.034 1.00 4.30 H new ATOM 0 HB3 ALA A 118 -8.154 7.152 1.811 1.00 4.30 H new ATOM 1924 N LEU A 119 -5.693 6.956 0.161 1.00 50.30 N ATOM 1925 CA LEU A 119 -4.244 7.241 0.049 1.00 20.15 C ATOM 1926 C LEU A 119 -3.730 7.008 -1.401 1.00 42.11 C ATOM 1927 O LEU A 119 -3.177 7.908 -2.034 1.00 43.32 O ATOM 1928 CB LEU A 119 -3.446 6.338 1.043 1.00 31.32 C ATOM 1929 CG LEU A 119 -3.823 6.452 2.560 1.00 72.11 C ATOM 1930 CD1 LEU A 119 -3.122 5.356 3.398 1.00 2.34 C ATOM 1931 CD2 LEU A 119 -3.526 7.870 3.113 1.00 32.33 C ATOM 0 H LEU A 119 -5.906 6.186 0.795 1.00 50.30 H new ATOM 0 HA LEU A 119 -4.088 8.290 0.300 1.00 20.15 H new ATOM 0 HB2 LEU A 119 -3.576 5.300 0.738 1.00 31.32 H new ATOM 0 HB3 LEU A 119 -2.386 6.571 0.938 1.00 31.32 H new ATOM 0 HG LEU A 119 -4.898 6.290 2.645 1.00 72.11 H new ATOM 0 HD11 LEU A 119 -3.404 5.463 4.445 1.00 2.34 H new ATOM 0 HD12 LEU A 119 -3.426 4.373 3.039 1.00 2.34 H new ATOM 0 HD13 LEU A 119 -2.041 5.459 3.301 1.00 2.34 H new ATOM 0 HD21 LEU A 119 -3.799 7.914 4.167 1.00 32.33 H new ATOM 0 HD22 LEU A 119 -2.464 8.088 3.004 1.00 32.33 H new ATOM 0 HD23 LEU A 119 -4.106 8.606 2.557 1.00 32.33 H new ATOM 1943 N VAL A 120 -3.967 5.799 -1.926 1.00 75.04 N ATOM 1944 CA VAL A 120 -3.423 5.362 -3.229 1.00 51.45 C ATOM 1945 C VAL A 120 -4.030 6.155 -4.422 1.00 31.22 C ATOM 1946 O VAL A 120 -3.347 6.419 -5.410 1.00 31.21 O ATOM 1947 CB VAL A 120 -3.617 3.812 -3.421 1.00 10.12 C ATOM 1948 CG1 VAL A 120 -3.076 3.322 -4.780 1.00 2.51 C ATOM 1949 CG2 VAL A 120 -2.946 3.028 -2.270 1.00 41.43 C ATOM 0 H VAL A 120 -4.540 5.093 -1.464 1.00 75.04 H new ATOM 0 HA VAL A 120 -2.355 5.579 -3.220 1.00 51.45 H new ATOM 0 HB VAL A 120 -4.690 3.623 -3.404 1.00 10.12 H new ATOM 0 HG11 VAL A 120 -3.232 2.247 -4.867 1.00 2.51 H new ATOM 0 HG12 VAL A 120 -3.603 3.832 -5.587 1.00 2.51 H new ATOM 0 HG13 VAL A 120 -2.010 3.541 -4.848 1.00 2.51 H new ATOM 0 HG21 VAL A 120 -3.093 1.959 -2.424 1.00 41.43 H new ATOM 0 HG22 VAL A 120 -1.879 3.249 -2.253 1.00 41.43 H new ATOM 0 HG23 VAL A 120 -3.393 3.323 -1.320 1.00 41.43 H new ATOM 1959 N ASN A 121 -5.299 6.570 -4.314 1.00 12.43 N ATOM 1960 CA ASN A 121 -5.975 7.360 -5.379 1.00 63.22 C ATOM 1961 C ASN A 121 -6.110 8.855 -4.990 1.00 74.22 C ATOM 1962 O ASN A 121 -6.961 9.572 -5.535 1.00 22.23 O ATOM 1963 CB ASN A 121 -7.344 6.724 -5.714 1.00 14.21 C ATOM 1964 CG ASN A 121 -7.202 5.293 -6.243 1.00 73.11 C ATOM 1965 OD1 ASN A 121 -7.031 5.066 -7.437 1.00 55.20 O ATOM 1966 ND2 ASN A 121 -7.264 4.320 -5.364 1.00 1.24 N ATOM 0 H ASN A 121 -5.888 6.377 -3.504 1.00 12.43 H new ATOM 0 HA ASN A 121 -5.355 7.334 -6.275 1.00 63.22 H new ATOM 0 HB2 ASN A 121 -7.969 6.719 -4.821 1.00 14.21 H new ATOM 0 HB3 ASN A 121 -7.855 7.336 -6.458 1.00 14.21 H new ATOM 0 HD21 ASN A 121 -7.169 3.351 -5.668 1.00 1.24 H new ATOM 0 HD22 ASN A 121 -7.407 4.533 -4.377 1.00 1.24 H new ATOM 1973 N SER A 122 -5.252 9.322 -4.054 1.00 25.10 N ATOM 1974 CA SER A 122 -5.107 10.758 -3.731 1.00 63.13 C ATOM 1975 C SER A 122 -4.395 11.500 -4.881 1.00 72.41 C ATOM 1976 O SER A 122 -3.456 10.961 -5.486 1.00 1.05 O ATOM 1977 CB SER A 122 -4.308 10.935 -2.422 1.00 45.13 C ATOM 1978 OG SER A 122 -4.097 12.300 -2.116 1.00 70.23 O ATOM 0 H SER A 122 -4.643 8.716 -3.504 1.00 25.10 H new ATOM 0 HA SER A 122 -6.103 11.182 -3.600 1.00 63.13 H new ATOM 0 HB2 SER A 122 -4.844 10.457 -1.602 1.00 45.13 H new ATOM 0 HB3 SER A 122 -3.346 10.430 -2.512 1.00 45.13 H new ATOM 0 HG SER A 122 -3.590 12.373 -1.281 1.00 70.23 H new ATOM 1984 N GLN A 123 -4.836 12.740 -5.162 1.00 72.33 N ATOM 1985 CA GLN A 123 -4.291 13.550 -6.274 1.00 70.00 C ATOM 1986 C GLN A 123 -2.828 13.988 -5.997 1.00 23.13 C ATOM 1987 O GLN A 123 -1.997 13.981 -6.900 1.00 21.24 O ATOM 1988 CB GLN A 123 -5.203 14.772 -6.556 1.00 54.12 C ATOM 1989 CG GLN A 123 -4.828 15.574 -7.824 1.00 65.25 C ATOM 1990 CD GLN A 123 -5.825 16.690 -8.154 1.00 45.01 C ATOM 1991 OE1 GLN A 123 -6.798 16.484 -8.875 1.00 54.51 O ATOM 1992 NE2 GLN A 123 -5.593 17.873 -7.631 1.00 71.43 N ATOM 0 H GLN A 123 -5.572 13.207 -4.633 1.00 72.33 H new ATOM 0 HA GLN A 123 -4.274 12.926 -7.167 1.00 70.00 H new ATOM 0 HB2 GLN A 123 -6.232 14.427 -6.651 1.00 54.12 H new ATOM 0 HB3 GLN A 123 -5.169 15.440 -5.696 1.00 54.12 H new ATOM 0 HG2 GLN A 123 -3.838 16.009 -7.690 1.00 65.25 H new ATOM 0 HG3 GLN A 123 -4.764 14.891 -8.671 1.00 65.25 H new ATOM 0 HE21 GLN A 123 -4.777 18.016 -7.036 1.00 71.43 H new ATOM 0 HE22 GLN A 123 -6.229 18.648 -7.820 1.00 71.43 H new ATOM 2001 N GLU A 124 -2.508 14.315 -4.725 1.00 44.12 N ATOM 2002 CA GLU A 124 -1.124 14.695 -4.322 1.00 71.44 C ATOM 2003 C GLU A 124 -0.141 13.522 -4.551 1.00 61.54 C ATOM 2004 O GLU A 124 1.034 13.734 -4.844 1.00 45.20 O ATOM 2005 CB GLU A 124 -1.035 15.128 -2.826 1.00 15.14 C ATOM 2006 CG GLU A 124 -2.026 16.225 -2.369 1.00 41.22 C ATOM 2007 CD GLU A 124 -3.415 15.674 -1.987 1.00 61.15 C ATOM 2008 OE1 GLU A 124 -3.549 15.110 -0.872 1.00 32.40 O ATOM 2009 OE2 GLU A 124 -4.361 15.774 -2.800 1.00 74.24 O ATOM 0 H GLU A 124 -3.182 14.325 -3.959 1.00 44.12 H new ATOM 0 HA GLU A 124 -0.851 15.545 -4.947 1.00 71.44 H new ATOM 0 HB2 GLU A 124 -1.191 14.246 -2.205 1.00 15.14 H new ATOM 0 HB3 GLU A 124 -0.022 15.480 -2.631 1.00 15.14 H new ATOM 0 HG2 GLU A 124 -1.604 16.752 -1.513 1.00 41.22 H new ATOM 0 HG3 GLU A 124 -2.141 16.957 -3.169 1.00 41.22 H new ATOM 2016 N TYR A 125 -0.653 12.290 -4.388 1.00 12.44 N ATOM 2017 CA TYR A 125 0.130 11.056 -4.564 1.00 63.32 C ATOM 2018 C TYR A 125 0.373 10.741 -6.058 1.00 32.41 C ATOM 2019 O TYR A 125 1.519 10.603 -6.472 1.00 54.32 O ATOM 2020 CB TYR A 125 -0.599 9.883 -3.868 1.00 25.01 C ATOM 2021 CG TYR A 125 0.093 8.506 -3.958 1.00 54.12 C ATOM 2022 CD1 TYR A 125 1.412 8.316 -3.533 1.00 2.42 C ATOM 2023 CD2 TYR A 125 -0.588 7.392 -4.441 1.00 4.02 C ATOM 2024 CE1 TYR A 125 2.007 7.066 -3.591 1.00 73.13 C ATOM 2025 CE2 TYR A 125 0.005 6.147 -4.502 1.00 43.10 C ATOM 2026 CZ TYR A 125 1.299 5.987 -4.075 1.00 52.35 C ATOM 2027 OH TYR A 125 1.889 4.744 -4.128 1.00 44.12 O ATOM 0 H TYR A 125 -1.625 12.122 -4.129 1.00 12.44 H new ATOM 0 HA TYR A 125 1.108 11.199 -4.105 1.00 63.32 H new ATOM 0 HB2 TYR A 125 -0.727 10.135 -2.815 1.00 25.01 H new ATOM 0 HB3 TYR A 125 -1.597 9.795 -4.298 1.00 25.01 H new ATOM 0 HD1 TYR A 125 1.975 9.156 -3.154 1.00 2.42 H new ATOM 0 HD2 TYR A 125 -1.608 7.505 -4.777 1.00 4.02 H new ATOM 0 HE1 TYR A 125 3.026 6.937 -3.257 1.00 73.13 H new ATOM 0 HE2 TYR A 125 -0.548 5.302 -4.885 1.00 43.10 H new ATOM 0 HH TYR A 125 2.419 4.668 -4.949 1.00 44.12 H new ATOM 2037 N ASN A 126 -0.708 10.672 -6.870 1.00 41.31 N ATOM 2038 CA ASN A 126 -0.627 10.147 -8.263 1.00 54.34 C ATOM 2039 C ASN A 126 0.150 11.094 -9.223 1.00 74.42 C ATOM 2040 O ASN A 126 0.655 10.647 -10.256 1.00 10.33 O ATOM 2041 CB ASN A 126 -2.044 9.807 -8.820 1.00 52.14 C ATOM 2042 CG ASN A 126 -2.904 11.014 -9.225 1.00 60.02 C ATOM 2043 OD1 ASN A 126 -2.780 12.097 -8.692 1.00 22.24 O ATOM 2044 ND2 ASN A 126 -3.790 10.826 -10.185 1.00 40.23 N ATOM 0 H ASN A 126 -1.643 10.970 -6.591 1.00 41.31 H new ATOM 0 HA ASN A 126 -0.051 9.223 -8.214 1.00 54.34 H new ATOM 0 HB2 ASN A 126 -1.928 9.158 -9.688 1.00 52.14 H new ATOM 0 HB3 ASN A 126 -2.584 9.235 -8.065 1.00 52.14 H new ATOM 0 HD21 ASN A 126 -4.384 11.598 -10.489 1.00 40.23 H new ATOM 0 HD22 ASN A 126 -3.881 9.909 -10.622 1.00 40.23 H new ATOM 2051 N GLU A 127 0.219 12.400 -8.879 1.00 41.54 N ATOM 2052 CA GLU A 127 1.074 13.386 -9.599 1.00 75.23 C ATOM 2053 C GLU A 127 2.588 13.072 -9.436 1.00 3.01 C ATOM 2054 O GLU A 127 3.374 13.217 -10.382 1.00 24.24 O ATOM 2055 CB GLU A 127 0.799 14.826 -9.087 1.00 33.43 C ATOM 2056 CG GLU A 127 -0.628 15.354 -9.341 1.00 32.44 C ATOM 2057 CD GLU A 127 -0.859 16.762 -8.752 1.00 71.14 C ATOM 2058 OE1 GLU A 127 -0.564 17.765 -9.446 1.00 34.05 O ATOM 2059 OE2 GLU A 127 -1.302 16.875 -7.584 1.00 34.34 O ATOM 0 H GLU A 127 -0.308 12.802 -8.104 1.00 41.54 H new ATOM 0 HA GLU A 127 0.817 13.312 -10.656 1.00 75.23 H new ATOM 0 HB2 GLU A 127 0.995 14.856 -8.015 1.00 33.43 H new ATOM 0 HB3 GLU A 127 1.509 15.504 -9.560 1.00 33.43 H new ATOM 0 HG2 GLU A 127 -0.815 15.379 -10.414 1.00 32.44 H new ATOM 0 HG3 GLU A 127 -1.349 14.661 -8.908 1.00 32.44 H new ATOM 2066 N VAL A 128 2.972 12.644 -8.222 1.00 70.02 N ATOM 2067 CA VAL A 128 4.383 12.367 -7.847 1.00 25.03 C ATOM 2068 C VAL A 128 4.784 10.937 -8.277 1.00 34.00 C ATOM 2069 O VAL A 128 5.725 10.723 -9.052 1.00 52.41 O ATOM 2070 CB VAL A 128 4.564 12.521 -6.286 1.00 41.53 C ATOM 2071 CG1 VAL A 128 6.034 12.305 -5.833 1.00 75.44 C ATOM 2072 CG2 VAL A 128 4.006 13.882 -5.805 1.00 74.14 C ATOM 0 H VAL A 128 2.313 12.477 -7.462 1.00 70.02 H new ATOM 0 HA VAL A 128 5.026 13.083 -8.359 1.00 25.03 H new ATOM 0 HB VAL A 128 3.984 11.730 -5.811 1.00 41.53 H new ATOM 0 HG11 VAL A 128 6.102 12.422 -4.751 1.00 75.44 H new ATOM 0 HG12 VAL A 128 6.356 11.301 -6.110 1.00 75.44 H new ATOM 0 HG13 VAL A 128 6.676 13.040 -6.319 1.00 75.44 H new ATOM 0 HG21 VAL A 128 4.140 13.970 -4.727 1.00 74.14 H new ATOM 0 HG22 VAL A 128 4.540 14.691 -6.304 1.00 74.14 H new ATOM 0 HG23 VAL A 128 2.945 13.945 -6.045 1.00 74.14 H new ATOM 2082 N PHE A 129 4.027 9.984 -7.735 1.00 2.25 N ATOM 2083 CA PHE A 129 4.158 8.538 -7.968 1.00 35.23 C ATOM 2084 C PHE A 129 3.977 8.151 -9.459 1.00 33.43 C ATOM 2085 O PHE A 129 4.771 7.389 -10.008 1.00 74.20 O ATOM 2086 CB PHE A 129 3.093 7.847 -7.069 1.00 52.42 C ATOM 2087 CG PHE A 129 2.799 6.383 -7.364 1.00 23.45 C ATOM 2088 CD1 PHE A 129 3.710 5.392 -7.040 1.00 21.31 C ATOM 2089 CD2 PHE A 129 1.592 6.000 -7.947 1.00 22.32 C ATOM 2090 CE1 PHE A 129 3.427 4.071 -7.288 1.00 73.43 C ATOM 2091 CE2 PHE A 129 1.320 4.680 -8.200 1.00 23.15 C ATOM 2092 CZ PHE A 129 2.236 3.712 -7.869 1.00 20.33 C ATOM 0 H PHE A 129 3.268 10.205 -7.090 1.00 2.25 H new ATOM 0 HA PHE A 129 5.166 8.210 -7.713 1.00 35.23 H new ATOM 0 HB2 PHE A 129 3.419 7.927 -6.032 1.00 52.42 H new ATOM 0 HB3 PHE A 129 2.161 8.406 -7.154 1.00 52.42 H new ATOM 0 HD1 PHE A 129 4.653 5.661 -6.587 1.00 21.31 H new ATOM 0 HD2 PHE A 129 0.861 6.753 -8.203 1.00 22.32 H new ATOM 0 HE1 PHE A 129 4.146 3.310 -7.024 1.00 73.43 H new ATOM 0 HE2 PHE A 129 0.384 4.401 -8.660 1.00 23.15 H new ATOM 0 HZ PHE A 129 2.020 2.672 -8.065 1.00 20.33 H new ATOM 2102 N GLY A 130 2.932 8.693 -10.099 1.00 1.34 N ATOM 2103 CA GLY A 130 2.562 8.296 -11.466 1.00 20.52 C ATOM 2104 C GLY A 130 1.653 7.069 -11.484 1.00 34.31 C ATOM 2105 O GLY A 130 0.639 7.051 -10.776 1.00 41.21 O ATOM 0 H GLY A 130 2.328 9.407 -9.693 1.00 1.34 H new ATOM 0 HA2 GLY A 130 2.058 9.127 -11.960 1.00 20.52 H new ATOM 0 HA3 GLY A 130 3.465 8.085 -12.038 1.00 20.52 H new ATOM 2109 N GLU A 131 2.006 6.042 -12.290 1.00 54.44 N ATOM 2110 CA GLU A 131 1.242 4.769 -12.370 1.00 64.10 C ATOM 2111 C GLU A 131 2.190 3.541 -12.344 1.00 51.42 C ATOM 2112 O GLU A 131 2.162 2.751 -11.396 1.00 14.25 O ATOM 2113 CB GLU A 131 0.344 4.722 -13.650 1.00 42.55 C ATOM 2114 CG GLU A 131 -0.792 5.780 -13.719 1.00 33.23 C ATOM 2115 CD GLU A 131 -1.782 5.746 -12.532 1.00 65.21 C ATOM 2116 OE1 GLU A 131 -2.109 4.648 -12.026 1.00 10.14 O ATOM 2117 OE2 GLU A 131 -2.235 6.826 -12.090 1.00 2.42 O ATOM 0 H GLU A 131 2.822 6.068 -12.901 1.00 54.44 H new ATOM 0 HA GLU A 131 0.596 4.728 -11.493 1.00 64.10 H new ATOM 0 HB2 GLU A 131 0.983 4.846 -14.524 1.00 42.55 H new ATOM 0 HB3 GLU A 131 -0.104 3.731 -13.720 1.00 42.55 H new ATOM 0 HG2 GLU A 131 -0.343 6.772 -13.771 1.00 33.23 H new ATOM 0 HG3 GLU A 131 -1.350 5.634 -14.644 1.00 33.23 H new ATOM 2124 N ASP A 132 3.037 3.406 -13.390 1.00 70.50 N ATOM 2125 CA ASP A 132 3.929 2.225 -13.591 1.00 31.34 C ATOM 2126 C ASP A 132 5.235 2.308 -12.747 1.00 73.33 C ATOM 2127 O ASP A 132 6.085 1.412 -12.817 1.00 32.12 O ATOM 2128 CB ASP A 132 4.273 2.081 -15.103 1.00 42.45 C ATOM 2129 CG ASP A 132 5.175 3.214 -15.637 1.00 15.25 C ATOM 2130 OD1 ASP A 132 4.726 4.382 -15.685 1.00 5.25 O ATOM 2131 OD2 ASP A 132 6.339 2.944 -16.011 1.00 73.44 O ATOM 0 H ASP A 132 3.127 4.110 -14.123 1.00 70.50 H new ATOM 0 HA ASP A 132 3.387 1.344 -13.246 1.00 31.34 H new ATOM 0 HB2 ASP A 132 4.769 1.124 -15.266 1.00 42.45 H new ATOM 0 HB3 ASP A 132 3.347 2.062 -15.678 1.00 42.45 H new ATOM 2136 N THR A 133 5.374 3.378 -11.959 1.00 72.50 N ATOM 2137 CA THR A 133 6.576 3.645 -11.134 1.00 2.45 C ATOM 2138 C THR A 133 6.423 3.066 -9.698 1.00 25.23 C ATOM 2139 O THR A 133 5.314 2.908 -9.211 1.00 12.13 O ATOM 2140 CB THR A 133 6.836 5.194 -11.090 1.00 64.32 C ATOM 2141 OG1 THR A 133 6.961 5.698 -12.432 1.00 33.14 O ATOM 2142 CG2 THR A 133 8.097 5.584 -10.300 1.00 21.10 C ATOM 0 H THR A 133 4.654 4.095 -11.869 1.00 72.50 H new ATOM 0 HA THR A 133 7.432 3.146 -11.588 1.00 2.45 H new ATOM 0 HB THR A 133 5.982 5.634 -10.575 1.00 64.32 H new ATOM 0 HG1 THR A 133 7.121 6.664 -12.405 1.00 33.14 H new ATOM 0 HG21 THR A 133 8.213 6.668 -10.312 1.00 21.10 H new ATOM 0 HG22 THR A 133 8.002 5.241 -9.270 1.00 21.10 H new ATOM 0 HG23 THR A 133 8.971 5.120 -10.758 1.00 21.10 H new ATOM 2150 N VAL A 134 7.555 2.707 -9.063 1.00 2.22 N ATOM 2151 CA VAL A 134 7.632 2.336 -7.624 1.00 44.12 C ATOM 2152 C VAL A 134 7.419 3.595 -6.729 1.00 42.31 C ATOM 2153 O VAL A 134 7.975 4.657 -7.041 1.00 21.04 O ATOM 2154 CB VAL A 134 9.043 1.680 -7.317 1.00 74.40 C ATOM 2155 CG1 VAL A 134 9.286 1.417 -5.804 1.00 64.23 C ATOM 2156 CG2 VAL A 134 9.227 0.379 -8.134 1.00 22.30 C ATOM 0 H VAL A 134 8.458 2.664 -9.536 1.00 2.22 H new ATOM 0 HA VAL A 134 6.846 1.615 -7.400 1.00 44.12 H new ATOM 0 HB VAL A 134 9.793 2.408 -7.624 1.00 74.40 H new ATOM 0 HG11 VAL A 134 10.269 0.968 -5.666 1.00 64.23 H new ATOM 0 HG12 VAL A 134 9.238 2.360 -5.259 1.00 64.23 H new ATOM 0 HG13 VAL A 134 8.521 0.739 -5.425 1.00 64.23 H new ATOM 0 HG21 VAL A 134 10.201 -0.057 -7.910 1.00 22.30 H new ATOM 0 HG22 VAL A 134 8.443 -0.330 -7.870 1.00 22.30 H new ATOM 0 HG23 VAL A 134 9.167 0.606 -9.198 1.00 22.30 H new ATOM 2166 N PRO A 135 6.623 3.511 -5.601 1.00 42.10 N ATOM 2167 CA PRO A 135 6.394 4.672 -4.709 1.00 22.01 C ATOM 2168 C PRO A 135 7.683 5.082 -3.957 1.00 70.03 C ATOM 2169 O PRO A 135 8.412 4.226 -3.436 1.00 10.44 O ATOM 2170 CB PRO A 135 5.279 4.207 -3.725 1.00 62.10 C ATOM 2171 CG PRO A 135 4.833 2.856 -4.206 1.00 74.32 C ATOM 2172 CD PRO A 135 5.930 2.302 -5.095 1.00 1.30 C ATOM 0 HA PRO A 135 6.099 5.559 -5.269 1.00 22.01 H new ATOM 0 HB2 PRO A 135 5.659 4.151 -2.705 1.00 62.10 H new ATOM 0 HB3 PRO A 135 4.447 4.912 -3.718 1.00 62.10 H new ATOM 0 HG2 PRO A 135 4.650 2.190 -3.363 1.00 74.32 H new ATOM 0 HG3 PRO A 135 3.896 2.936 -4.758 1.00 74.32 H new ATOM 0 HD2 PRO A 135 6.609 1.657 -4.537 1.00 1.30 H new ATOM 0 HD3 PRO A 135 5.521 1.705 -5.910 1.00 1.30 H new ATOM 2180 N TYR A 136 7.948 6.394 -3.908 1.00 11.02 N ATOM 2181 CA TYR A 136 9.142 6.959 -3.253 1.00 71.25 C ATOM 2182 C TYR A 136 8.756 8.202 -2.411 1.00 15.13 C ATOM 2183 O TYR A 136 7.924 9.017 -2.830 1.00 21.32 O ATOM 2184 CB TYR A 136 10.234 7.289 -4.316 1.00 44.44 C ATOM 2185 CG TYR A 136 9.802 8.274 -5.423 1.00 73.11 C ATOM 2186 CD1 TYR A 136 9.154 7.825 -6.585 1.00 75.24 C ATOM 2187 CD2 TYR A 136 10.041 9.650 -5.307 1.00 74.43 C ATOM 2188 CE1 TYR A 136 8.768 8.707 -7.578 1.00 1.23 C ATOM 2189 CE2 TYR A 136 9.654 10.529 -6.298 1.00 24.45 C ATOM 2190 CZ TYR A 136 9.019 10.055 -7.430 1.00 33.12 C ATOM 2191 OH TYR A 136 8.644 10.938 -8.423 1.00 2.03 O ATOM 0 H TYR A 136 7.339 7.099 -4.323 1.00 11.02 H new ATOM 0 HA TYR A 136 9.562 6.221 -2.570 1.00 71.25 H new ATOM 0 HB2 TYR A 136 11.103 7.702 -3.804 1.00 44.44 H new ATOM 0 HB3 TYR A 136 10.554 6.358 -4.785 1.00 44.44 H new ATOM 0 HD1 TYR A 136 8.953 6.771 -6.706 1.00 75.24 H new ATOM 0 HD2 TYR A 136 10.537 10.029 -4.426 1.00 74.43 H new ATOM 0 HE1 TYR A 136 8.272 8.342 -8.465 1.00 1.23 H new ATOM 0 HE2 TYR A 136 9.847 11.586 -6.189 1.00 24.45 H new ATOM 0 HH TYR A 136 7.686 10.840 -8.603 1.00 2.03 H new