USER MOD reduce.3.24.130724 H: found=0, std=0, add=1077, rem=0, adj=32 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 109 THR OG1 : rot -78:sc= 1.13 USER MOD Set 1.2: A 110 GLN : amide:sc= -0.291 X(o=0.84,f=0.53) USER MOD Set 2.1: A 68 TYR OH : rot 34:sc= 0.863 USER MOD Set 2.2: A 88 HIS : no HD1:sc= 0.652 K(o=1.5,f=-3.8!) USER MOD Single : A 5 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.028) USER MOD Single : A 11 LYS NZ :NH3+ -153:sc= -0.109 (180deg=-1.22) USER MOD Single : A 13 LYS NZ :NH3+ 171:sc= 0.477 (180deg=0.417) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 69:sc= 0.897 USER MOD Single : A 21 SER OG : rot 70:sc= 0.786 USER MOD Single : A 24 TYR OH : rot -23:sc= 0.951 USER MOD Single : A 26 GLN :FLIP amide:sc= -1.42 F(o=-2.3,f=-1.4) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.804 K(o=-0.8,f=-3.3!) USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 42 SER OG : rot -117:sc= 0.427 USER MOD Single : A 46 SER OG : rot -60:sc= 0.393 USER MOD Single : A 47 LYS NZ :NH3+ -111:sc= 1.09 (180deg=-0.0682) USER MOD Single : A 50 ASN : amide:sc= -0.03 K(o=-0.03,f=-0.79) USER MOD Single : A 54 THR OG1 : rot -133:sc= 0.787 USER MOD Single : A 56 LYS NZ :NH3+ -135:sc= 0.917 (180deg=-0.131) USER MOD Single : A 64 TYR OH : rot 103:sc= 0.478 USER MOD Single : A 65 SER OG : rot -160:sc= 0 USER MOD Single : A 66 ASN : amide:sc=-5.89e-05 X(o=-5.9e-05,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 165:sc= -1.68 USER MOD Single : A 76 TYR OH : rot 91:sc= 0.00276 USER MOD Single : A 78 ASN : amide:sc= -0.0527 K(o=-0.053,f=-2.2!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 150:sc= 0.164 (180deg=-0.705) USER MOD Single : A 86 THR OG1 : rot 81:sc= 0.703 USER MOD Single : A 87 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0408) USER MOD Single : A 97 GLN : amide:sc= -0.031 X(o=-0.031,f=-0.2) USER MOD Single : A 102 LYS NZ :NH3+ -119:sc= -0.135 (180deg=-1.47!) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.155 X(o=-0.16,f=0) USER MOD Single : A 105 GLN :FLIP amide:sc= -0.025 F(o=-1.6!,f=-0.025) USER MOD Single : A 117 ASN : amide:sc= -0.015 X(o=-0.015,f=0) USER MOD Single : A 121 ASN : amide:sc= 0.481 X(o=0.48,f=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN :FLIP amide:sc= -0.764 F(o=-3!,f=-0.76) USER MOD Single : A 125 TYR OH : rot 180:sc= -0.0546 USER MOD Single : A 126 ASN : amide:sc= -0.896 K(o=-0.9,f=-4.2!) USER MOD Single : A 133 THR OG1 : rot 32:sc= 0.11 USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N VAL A 3 16.016 5.093 -8.412 1.00 55.33 N ATOM 43 CA VAL A 3 14.598 5.411 -8.698 1.00 4.32 C ATOM 44 C VAL A 3 13.870 4.178 -9.279 1.00 2.51 C ATOM 45 O VAL A 3 14.146 3.755 -10.408 1.00 73.12 O ATOM 46 CB VAL A 3 14.463 6.629 -9.692 1.00 75.22 C ATOM 47 CG1 VAL A 3 12.973 6.987 -9.963 1.00 12.42 C ATOM 48 CG2 VAL A 3 15.239 7.861 -9.164 1.00 21.04 C ATOM 0 HA VAL A 3 14.132 5.691 -7.753 1.00 4.32 H new ATOM 0 HB VAL A 3 14.905 6.327 -10.641 1.00 75.22 H new ATOM 0 HG11 VAL A 3 12.921 7.830 -10.652 1.00 12.42 H new ATOM 0 HG12 VAL A 3 12.466 6.128 -10.402 1.00 12.42 H new ATOM 0 HG13 VAL A 3 12.487 7.254 -9.025 1.00 12.42 H new ATOM 0 HG21 VAL A 3 15.131 8.688 -9.866 1.00 21.04 H new ATOM 0 HG22 VAL A 3 14.839 8.155 -8.194 1.00 21.04 H new ATOM 0 HG23 VAL A 3 16.294 7.609 -9.060 1.00 21.04 H new ATOM 58 N PHE A 4 12.967 3.584 -8.484 1.00 41.23 N ATOM 59 CA PHE A 4 12.101 2.478 -8.940 1.00 23.14 C ATOM 60 C PHE A 4 10.786 3.011 -9.563 1.00 73.03 C ATOM 61 O PHE A 4 9.941 3.592 -8.876 1.00 2.35 O ATOM 62 CB PHE A 4 11.817 1.493 -7.773 1.00 43.52 C ATOM 63 CG PHE A 4 13.010 0.597 -7.436 1.00 22.21 C ATOM 64 CD1 PHE A 4 13.271 -0.544 -8.198 1.00 3.21 C ATOM 65 CD2 PHE A 4 13.867 0.890 -6.375 1.00 63.41 C ATOM 66 CE1 PHE A 4 14.344 -1.362 -7.909 1.00 22.30 C ATOM 67 CE2 PHE A 4 14.940 0.066 -6.086 1.00 0.24 C ATOM 68 CZ PHE A 4 15.179 -1.059 -6.853 1.00 14.05 C ATOM 0 H PHE A 4 12.814 3.852 -7.512 1.00 41.23 H new ATOM 0 HA PHE A 4 12.630 1.933 -9.722 1.00 23.14 H new ATOM 0 HB2 PHE A 4 11.536 2.062 -6.886 1.00 43.52 H new ATOM 0 HB3 PHE A 4 10.963 0.867 -8.034 1.00 43.52 H new ATOM 0 HD1 PHE A 4 12.623 -0.790 -9.026 1.00 3.21 H new ATOM 0 HD2 PHE A 4 13.691 1.769 -5.773 1.00 63.41 H new ATOM 0 HE1 PHE A 4 14.530 -2.240 -8.510 1.00 22.30 H new ATOM 0 HE2 PHE A 4 15.593 0.302 -5.259 1.00 0.24 H new ATOM 0 HZ PHE A 4 16.018 -1.700 -6.626 1.00 14.05 H new ATOM 78 N LYS A 5 10.662 2.838 -10.886 1.00 11.31 N ATOM 79 CA LYS A 5 9.419 3.068 -11.640 1.00 31.44 C ATOM 80 C LYS A 5 9.378 2.111 -12.849 1.00 0.24 C ATOM 81 O LYS A 5 10.395 1.488 -13.202 1.00 52.40 O ATOM 82 CB LYS A 5 9.259 4.577 -12.053 1.00 44.31 C ATOM 83 CG LYS A 5 10.306 5.175 -13.039 1.00 2.35 C ATOM 84 CD LYS A 5 9.991 4.886 -14.530 1.00 2.13 C ATOM 85 CE LYS A 5 10.963 5.566 -15.499 1.00 60.01 C ATOM 86 NZ LYS A 5 10.820 7.044 -15.491 1.00 44.23 N ATOM 0 H LYS A 5 11.436 2.529 -11.474 1.00 11.31 H new ATOM 0 HA LYS A 5 8.563 2.849 -11.002 1.00 31.44 H new ATOM 0 HB2 LYS A 5 8.272 4.700 -12.498 1.00 44.31 H new ATOM 0 HB3 LYS A 5 9.275 5.177 -11.143 1.00 44.31 H new ATOM 0 HG2 LYS A 5 10.358 6.253 -12.890 1.00 2.35 H new ATOM 0 HG3 LYS A 5 11.290 4.772 -12.799 1.00 2.35 H new ATOM 0 HD2 LYS A 5 10.017 3.809 -14.697 1.00 2.13 H new ATOM 0 HD3 LYS A 5 8.977 5.219 -14.751 1.00 2.13 H new ATOM 0 HE2 LYS A 5 11.986 5.300 -15.232 1.00 60.01 H new ATOM 0 HE3 LYS A 5 10.790 5.191 -16.508 1.00 60.01 H new ATOM 0 HZ1 LYS A 5 11.436 7.456 -16.221 1.00 44.23 H new ATOM 0 HZ2 LYS A 5 9.831 7.298 -15.688 1.00 44.23 H new ATOM 0 HZ3 LYS A 5 11.093 7.414 -14.558 1.00 44.23 H new ATOM 100 N ARG A 6 8.208 2.001 -13.484 1.00 60.11 N ATOM 101 CA ARG A 6 8.011 1.117 -14.643 1.00 15.25 C ATOM 102 C ARG A 6 8.421 1.839 -15.940 1.00 24.15 C ATOM 103 O ARG A 6 7.822 2.855 -16.315 1.00 64.45 O ATOM 104 CB ARG A 6 6.537 0.649 -14.729 1.00 22.22 C ATOM 105 CG ARG A 6 6.264 -0.410 -15.827 1.00 3.55 C ATOM 106 CD ARG A 6 4.804 -0.904 -15.831 1.00 45.44 C ATOM 107 NE ARG A 6 4.593 -1.999 -16.800 1.00 31.41 N ATOM 108 CZ ARG A 6 4.718 -3.284 -16.534 1.00 40.04 C ATOM 109 NH1 ARG A 6 5.076 -3.692 -15.353 1.00 51.24 N ATOM 110 NH2 ARG A 6 4.470 -4.160 -17.453 1.00 35.42 N ATOM 0 H ARG A 6 7.372 2.519 -13.213 1.00 60.11 H new ATOM 0 HA ARG A 6 8.643 0.238 -14.517 1.00 15.25 H new ATOM 0 HB2 ARG A 6 6.242 0.238 -13.764 1.00 22.22 H new ATOM 0 HB3 ARG A 6 5.903 1.517 -14.913 1.00 22.22 H new ATOM 0 HG2 ARG A 6 6.502 0.015 -16.802 1.00 3.55 H new ATOM 0 HG3 ARG A 6 6.930 -1.260 -15.679 1.00 3.55 H new ATOM 0 HD2 ARG A 6 4.535 -1.247 -14.832 1.00 45.44 H new ATOM 0 HD3 ARG A 6 4.141 -0.073 -16.073 1.00 45.44 H new ATOM 0 HE ARG A 6 4.330 -1.740 -17.751 1.00 31.41 H new ATOM 0 HH11 ARG A 6 5.265 -3.014 -14.615 1.00 51.24 H new ATOM 0 HH12 ARG A 6 5.168 -4.690 -15.164 1.00 51.24 H new ATOM 0 HH21 ARG A 6 4.178 -3.856 -18.382 1.00 35.42 H new ATOM 0 HH22 ARG A 6 4.566 -5.155 -17.249 1.00 35.42 H new ATOM 124 N VAL A 7 9.444 1.302 -16.613 1.00 21.13 N ATOM 125 CA VAL A 7 9.920 1.806 -17.914 1.00 2.34 C ATOM 126 C VAL A 7 9.131 1.084 -19.029 1.00 53.33 C ATOM 127 O VAL A 7 8.906 -0.133 -18.930 1.00 32.34 O ATOM 128 CB VAL A 7 11.472 1.550 -18.079 1.00 52.32 C ATOM 129 CG1 VAL A 7 12.016 2.067 -19.434 1.00 51.02 C ATOM 130 CG2 VAL A 7 12.264 2.161 -16.893 1.00 3.13 C ATOM 0 H VAL A 7 9.972 0.499 -16.271 1.00 21.13 H new ATOM 0 HA VAL A 7 9.756 2.882 -17.977 1.00 2.34 H new ATOM 0 HB VAL A 7 11.617 0.470 -18.072 1.00 52.32 H new ATOM 0 HG11 VAL A 7 13.086 1.867 -19.497 1.00 51.02 H new ATOM 0 HG12 VAL A 7 11.503 1.558 -20.250 1.00 51.02 H new ATOM 0 HG13 VAL A 7 11.843 3.140 -19.510 1.00 51.02 H new ATOM 0 HG21 VAL A 7 13.329 1.971 -17.030 1.00 3.13 H new ATOM 0 HG22 VAL A 7 12.089 3.236 -16.854 1.00 3.13 H new ATOM 0 HG23 VAL A 7 11.932 1.705 -15.960 1.00 3.13 H new ATOM 140 N ALA A 8 8.690 1.830 -20.065 1.00 41.00 N ATOM 141 CA ALA A 8 7.949 1.259 -21.214 1.00 12.55 C ATOM 142 C ALA A 8 8.864 0.325 -22.051 1.00 11.45 C ATOM 143 O ALA A 8 9.455 0.737 -23.059 1.00 44.31 O ATOM 144 CB ALA A 8 7.345 2.389 -22.069 1.00 42.24 C ATOM 0 H ALA A 8 8.835 2.837 -20.130 1.00 41.00 H new ATOM 0 HA ALA A 8 7.127 0.649 -20.838 1.00 12.55 H new ATOM 0 HB1 ALA A 8 6.803 1.958 -22.911 1.00 42.24 H new ATOM 0 HB2 ALA A 8 6.660 2.980 -21.460 1.00 42.24 H new ATOM 0 HB3 ALA A 8 8.144 3.030 -22.442 1.00 42.24 H new ATOM 150 N GLY A 9 8.993 -0.930 -21.583 1.00 41.21 N ATOM 151 CA GLY A 9 9.940 -1.897 -22.151 1.00 12.23 C ATOM 152 C GLY A 9 10.329 -3.019 -21.177 1.00 1.03 C ATOM 153 O GLY A 9 10.840 -4.055 -21.617 1.00 45.42 O ATOM 0 H GLY A 9 8.445 -1.297 -20.805 1.00 41.21 H new ATOM 0 HA2 GLY A 9 9.502 -2.339 -23.046 1.00 12.23 H new ATOM 0 HA3 GLY A 9 10.841 -1.370 -22.464 1.00 12.23 H new ATOM 157 N ILE A 10 10.111 -2.817 -19.850 1.00 33.03 N ATOM 158 CA ILE A 10 10.413 -3.849 -18.821 1.00 22.22 C ATOM 159 C ILE A 10 9.368 -4.998 -18.862 1.00 1.42 C ATOM 160 O ILE A 10 8.308 -4.932 -18.224 1.00 51.20 O ATOM 161 CB ILE A 10 10.504 -3.247 -17.357 1.00 15.41 C ATOM 162 CG1 ILE A 10 11.604 -2.136 -17.269 1.00 72.11 C ATOM 163 CG2 ILE A 10 10.764 -4.361 -16.295 1.00 30.11 C ATOM 164 CD1 ILE A 10 11.783 -1.522 -15.883 1.00 2.44 C ATOM 0 H ILE A 10 9.728 -1.952 -19.469 1.00 33.03 H new ATOM 0 HA ILE A 10 11.396 -4.250 -19.068 1.00 22.22 H new ATOM 0 HB ILE A 10 9.539 -2.791 -17.135 1.00 15.41 H new ATOM 0 HG12 ILE A 10 12.556 -2.560 -17.589 1.00 72.11 H new ATOM 0 HG13 ILE A 10 11.356 -1.342 -17.974 1.00 72.11 H new ATOM 0 HG21 ILE A 10 10.821 -3.912 -15.303 1.00 30.11 H new ATOM 0 HG22 ILE A 10 9.949 -5.085 -16.320 1.00 30.11 H new ATOM 0 HG23 ILE A 10 11.704 -4.865 -16.519 1.00 30.11 H new ATOM 0 HD11 ILE A 10 12.565 -0.763 -15.919 1.00 2.44 H new ATOM 0 HD12 ILE A 10 10.847 -1.063 -15.565 1.00 2.44 H new ATOM 0 HD13 ILE A 10 12.065 -2.300 -15.174 1.00 2.44 H new ATOM 176 N LYS A 11 9.641 -6.006 -19.699 1.00 73.24 N ATOM 177 CA LYS A 11 8.906 -7.290 -19.700 1.00 72.02 C ATOM 178 C LYS A 11 9.641 -8.358 -18.827 1.00 40.41 C ATOM 179 O LYS A 11 9.191 -9.506 -18.702 1.00 71.43 O ATOM 180 CB LYS A 11 8.765 -7.754 -21.178 1.00 1.32 C ATOM 181 CG LYS A 11 7.756 -8.893 -21.420 1.00 52.44 C ATOM 182 CD LYS A 11 6.290 -8.484 -21.128 1.00 33.01 C ATOM 183 CE LYS A 11 5.297 -9.624 -21.428 1.00 42.23 C ATOM 184 NZ LYS A 11 3.885 -9.174 -21.340 1.00 50.44 N ATOM 0 H LYS A 11 10.380 -5.960 -20.400 1.00 73.24 H new ATOM 0 HA LYS A 11 7.917 -7.162 -19.259 1.00 72.02 H new ATOM 0 HB2 LYS A 11 8.471 -6.897 -21.784 1.00 1.32 H new ATOM 0 HB3 LYS A 11 9.743 -8.076 -21.535 1.00 1.32 H new ATOM 0 HG2 LYS A 11 7.834 -9.225 -22.455 1.00 52.44 H new ATOM 0 HG3 LYS A 11 8.021 -9.744 -20.792 1.00 52.44 H new ATOM 0 HD2 LYS A 11 6.198 -8.190 -20.082 1.00 33.01 H new ATOM 0 HD3 LYS A 11 6.031 -7.612 -21.728 1.00 33.01 H new ATOM 0 HE2 LYS A 11 5.490 -10.018 -22.426 1.00 42.23 H new ATOM 0 HE3 LYS A 11 5.461 -10.441 -20.725 1.00 42.23 H new ATOM 0 HZ1 LYS A 11 3.278 -9.981 -21.092 1.00 50.44 H new ATOM 0 HZ2 LYS A 11 3.800 -8.439 -20.609 1.00 50.44 H new ATOM 0 HZ3 LYS A 11 3.587 -8.786 -22.257 1.00 50.44 H new ATOM 198 N ASP A 12 10.754 -7.948 -18.189 1.00 15.54 N ATOM 199 CA ASP A 12 11.607 -8.847 -17.393 1.00 54.41 C ATOM 200 C ASP A 12 11.006 -9.087 -15.994 1.00 14.13 C ATOM 201 O ASP A 12 10.872 -8.143 -15.216 1.00 33.13 O ATOM 202 CB ASP A 12 13.029 -8.250 -17.245 1.00 33.31 C ATOM 203 CG ASP A 12 13.764 -8.106 -18.583 1.00 51.31 C ATOM 204 OD1 ASP A 12 14.237 -9.126 -19.123 1.00 3.02 O ATOM 205 OD2 ASP A 12 13.873 -6.977 -19.103 1.00 32.10 O ATOM 0 H ASP A 12 11.086 -6.984 -18.212 1.00 15.54 H new ATOM 0 HA ASP A 12 11.665 -9.800 -17.918 1.00 54.41 H new ATOM 0 HB2 ASP A 12 12.958 -7.272 -16.769 1.00 33.31 H new ATOM 0 HB3 ASP A 12 13.616 -8.885 -16.582 1.00 33.31 H new ATOM 210 N LYS A 13 10.724 -10.362 -15.653 1.00 33.51 N ATOM 211 CA LYS A 13 10.096 -10.726 -14.357 1.00 51.32 C ATOM 212 C LYS A 13 11.062 -10.487 -13.172 1.00 73.24 C ATOM 213 O LYS A 13 10.618 -10.266 -12.045 1.00 62.13 O ATOM 214 CB LYS A 13 9.622 -12.209 -14.363 1.00 73.45 C ATOM 215 CG LYS A 13 8.301 -12.478 -15.117 1.00 70.32 C ATOM 216 CD LYS A 13 7.109 -11.672 -14.529 1.00 22.43 C ATOM 217 CE LYS A 13 5.736 -12.249 -14.918 1.00 61.43 C ATOM 218 NZ LYS A 13 5.486 -13.558 -14.259 1.00 41.42 N ATOM 0 H LYS A 13 10.920 -11.161 -16.256 1.00 33.51 H new ATOM 0 HA LYS A 13 9.228 -10.080 -14.228 1.00 51.32 H new ATOM 0 HB2 LYS A 13 10.406 -12.822 -14.808 1.00 73.45 H new ATOM 0 HB3 LYS A 13 9.506 -12.540 -13.331 1.00 73.45 H new ATOM 0 HG2 LYS A 13 8.427 -12.220 -16.169 1.00 70.32 H new ATOM 0 HG3 LYS A 13 8.072 -13.543 -15.075 1.00 70.32 H new ATOM 0 HD2 LYS A 13 7.193 -11.652 -13.442 1.00 22.43 H new ATOM 0 HD3 LYS A 13 7.172 -10.639 -14.872 1.00 22.43 H new ATOM 0 HE2 LYS A 13 4.952 -11.545 -14.639 1.00 61.43 H new ATOM 0 HE3 LYS A 13 5.685 -12.370 -16.000 1.00 61.43 H new ATOM 0 HZ1 LYS A 13 4.499 -13.844 -14.419 1.00 41.42 H new ATOM 0 HZ2 LYS A 13 6.124 -14.275 -14.659 1.00 41.42 H new ATOM 0 HZ3 LYS A 13 5.660 -13.471 -13.237 1.00 41.42 H new ATOM 232 N ALA A 14 12.382 -10.553 -13.453 1.00 20.43 N ATOM 233 CA ALA A 14 13.438 -10.296 -12.452 1.00 64.10 C ATOM 234 C ALA A 14 13.453 -8.809 -12.029 1.00 23.42 C ATOM 235 O ALA A 14 13.443 -8.496 -10.833 1.00 15.14 O ATOM 236 CB ALA A 14 14.807 -10.729 -13.002 1.00 34.23 C ATOM 0 H ALA A 14 12.744 -10.785 -14.378 1.00 20.43 H new ATOM 0 HA ALA A 14 13.221 -10.887 -11.562 1.00 64.10 H new ATOM 0 HB1 ALA A 14 15.577 -10.535 -12.255 1.00 34.23 H new ATOM 0 HB2 ALA A 14 14.786 -11.794 -13.233 1.00 34.23 H new ATOM 0 HB3 ALA A 14 15.030 -10.166 -13.908 1.00 34.23 H new ATOM 242 N ALA A 15 13.441 -7.892 -13.025 1.00 62.23 N ATOM 243 CA ALA A 15 13.418 -6.430 -12.776 1.00 11.02 C ATOM 244 C ALA A 15 12.079 -5.981 -12.142 1.00 74.54 C ATOM 245 O ALA A 15 12.057 -5.112 -11.260 1.00 42.54 O ATOM 246 CB ALA A 15 13.676 -5.666 -14.084 1.00 73.40 C ATOM 0 H ALA A 15 13.447 -8.141 -14.014 1.00 62.23 H new ATOM 0 HA ALA A 15 14.212 -6.199 -12.066 1.00 11.02 H new ATOM 0 HB1 ALA A 15 13.657 -4.594 -13.889 1.00 73.40 H new ATOM 0 HB2 ALA A 15 14.652 -5.945 -14.482 1.00 73.40 H new ATOM 0 HB3 ALA A 15 12.903 -5.917 -14.810 1.00 73.40 H new ATOM 252 N ILE A 16 10.966 -6.576 -12.625 1.00 43.35 N ATOM 253 CA ILE A 16 9.619 -6.404 -12.029 1.00 24.10 C ATOM 254 C ILE A 16 9.612 -6.790 -10.531 1.00 31.31 C ATOM 255 O ILE A 16 9.161 -6.011 -9.697 1.00 31.14 O ATOM 256 CB ILE A 16 8.530 -7.242 -12.824 1.00 25.10 C ATOM 257 CG1 ILE A 16 8.311 -6.652 -14.256 1.00 4.51 C ATOM 258 CG2 ILE A 16 7.177 -7.354 -12.066 1.00 41.34 C ATOM 259 CD1 ILE A 16 7.733 -5.246 -14.286 1.00 72.21 C ATOM 0 H ILE A 16 10.974 -7.190 -13.440 1.00 43.35 H new ATOM 0 HA ILE A 16 9.361 -5.348 -12.107 1.00 24.10 H new ATOM 0 HB ILE A 16 8.924 -8.254 -12.912 1.00 25.10 H new ATOM 0 HG12 ILE A 16 9.266 -6.648 -14.782 1.00 4.51 H new ATOM 0 HG13 ILE A 16 7.645 -7.315 -14.809 1.00 4.51 H new ATOM 0 HG21 ILE A 16 6.474 -7.938 -12.660 1.00 41.34 H new ATOM 0 HG22 ILE A 16 7.337 -7.846 -11.107 1.00 41.34 H new ATOM 0 HG23 ILE A 16 6.770 -6.357 -11.899 1.00 41.34 H new ATOM 0 HD11 ILE A 16 7.617 -4.922 -15.320 1.00 72.21 H new ATOM 0 HD12 ILE A 16 6.761 -5.242 -13.793 1.00 72.21 H new ATOM 0 HD13 ILE A 16 8.406 -4.565 -13.766 1.00 72.21 H new ATOM 271 N LYS A 17 10.156 -7.974 -10.199 1.00 32.33 N ATOM 272 CA LYS A 17 10.171 -8.482 -8.807 1.00 32.22 C ATOM 273 C LYS A 17 11.092 -7.637 -7.881 1.00 53.14 C ATOM 274 O LYS A 17 10.839 -7.541 -6.677 1.00 52.12 O ATOM 275 CB LYS A 17 10.561 -9.982 -8.785 1.00 4.41 C ATOM 276 CG LYS A 17 10.469 -10.657 -7.389 1.00 51.24 C ATOM 277 CD LYS A 17 10.590 -12.199 -7.452 1.00 24.52 C ATOM 278 CE LYS A 17 9.414 -12.861 -8.205 1.00 3.42 C ATOM 279 NZ LYS A 17 9.550 -14.340 -8.271 1.00 5.43 N ATOM 0 H LYS A 17 10.593 -8.602 -10.874 1.00 32.33 H new ATOM 0 HA LYS A 17 9.162 -8.383 -8.408 1.00 32.22 H new ATOM 0 HB2 LYS A 17 9.915 -10.521 -9.477 1.00 4.41 H new ATOM 0 HB3 LYS A 17 11.581 -10.084 -9.156 1.00 4.41 H new ATOM 0 HG2 LYS A 17 11.258 -10.262 -6.748 1.00 51.24 H new ATOM 0 HG3 LYS A 17 9.519 -10.392 -6.925 1.00 51.24 H new ATOM 0 HD2 LYS A 17 11.526 -12.466 -7.943 1.00 24.52 H new ATOM 0 HD3 LYS A 17 10.637 -12.597 -6.438 1.00 24.52 H new ATOM 0 HE2 LYS A 17 8.478 -12.606 -7.709 1.00 3.42 H new ATOM 0 HE3 LYS A 17 9.359 -12.458 -9.216 1.00 3.42 H new ATOM 0 HZ1 LYS A 17 8.739 -14.741 -8.785 1.00 5.43 H new ATOM 0 HZ2 LYS A 17 10.430 -14.586 -8.767 1.00 5.43 H new ATOM 0 HZ3 LYS A 17 9.576 -14.730 -7.307 1.00 5.43 H new ATOM 293 N THR A 18 12.138 -7.003 -8.452 1.00 60.15 N ATOM 294 CA THR A 18 13.004 -6.040 -7.709 1.00 74.23 C ATOM 295 C THR A 18 12.237 -4.723 -7.387 1.00 22.05 C ATOM 296 O THR A 18 12.373 -4.153 -6.300 1.00 35.44 O ATOM 297 CB THR A 18 14.300 -5.705 -8.534 1.00 22.10 C ATOM 298 OG1 THR A 18 14.918 -6.920 -8.994 1.00 35.15 O ATOM 299 CG2 THR A 18 15.336 -4.907 -7.714 1.00 63.22 C ATOM 0 H THR A 18 12.410 -7.136 -9.426 1.00 60.15 H new ATOM 0 HA THR A 18 13.289 -6.516 -6.771 1.00 74.23 H new ATOM 0 HB THR A 18 13.984 -5.088 -9.375 1.00 22.10 H new ATOM 0 HG1 THR A 18 14.353 -7.336 -9.679 1.00 35.15 H new ATOM 0 HG21 THR A 18 16.210 -4.703 -8.332 1.00 63.22 H new ATOM 0 HG22 THR A 18 14.895 -3.965 -7.388 1.00 63.22 H new ATOM 0 HG23 THR A 18 15.636 -5.488 -6.842 1.00 63.22 H new ATOM 307 N LEU A 19 11.436 -4.267 -8.372 1.00 31.12 N ATOM 308 CA LEU A 19 10.495 -3.116 -8.232 1.00 13.12 C ATOM 309 C LEU A 19 9.455 -3.398 -7.107 1.00 11.33 C ATOM 310 O LEU A 19 9.104 -2.514 -6.316 1.00 21.21 O ATOM 311 CB LEU A 19 9.828 -2.857 -9.632 1.00 33.13 C ATOM 312 CG LEU A 19 8.776 -1.683 -9.780 1.00 44.43 C ATOM 313 CD1 LEU A 19 8.745 -1.147 -11.235 1.00 72.41 C ATOM 314 CD2 LEU A 19 7.338 -2.109 -9.362 1.00 53.25 C ATOM 0 H LEU A 19 11.418 -4.687 -9.301 1.00 31.12 H new ATOM 0 HA LEU A 19 11.025 -2.212 -7.931 1.00 13.12 H new ATOM 0 HB2 LEU A 19 10.629 -2.672 -10.348 1.00 33.13 H new ATOM 0 HB3 LEU A 19 9.335 -3.780 -9.936 1.00 33.13 H new ATOM 0 HG LEU A 19 9.104 -0.895 -9.102 1.00 44.43 H new ATOM 0 HD11 LEU A 19 8.015 -0.341 -11.310 1.00 72.41 H new ATOM 0 HD12 LEU A 19 9.731 -0.769 -11.505 1.00 72.41 H new ATOM 0 HD13 LEU A 19 8.467 -1.953 -11.914 1.00 72.41 H new ATOM 0 HD21 LEU A 19 6.659 -1.265 -9.484 1.00 53.25 H new ATOM 0 HD22 LEU A 19 7.006 -2.936 -9.990 1.00 53.25 H new ATOM 0 HD23 LEU A 19 7.341 -2.425 -8.319 1.00 53.25 H new ATOM 326 N ILE A 20 9.000 -4.660 -7.054 1.00 32.23 N ATOM 327 CA ILE A 20 8.045 -5.166 -6.042 1.00 44.51 C ATOM 328 C ILE A 20 8.691 -5.262 -4.632 1.00 72.31 C ATOM 329 O ILE A 20 8.056 -4.926 -3.625 1.00 0.30 O ATOM 330 CB ILE A 20 7.506 -6.575 -6.498 1.00 10.43 C ATOM 331 CG1 ILE A 20 6.715 -6.440 -7.836 1.00 1.51 C ATOM 332 CG2 ILE A 20 6.646 -7.262 -5.411 1.00 1.32 C ATOM 333 CD1 ILE A 20 6.265 -7.753 -8.453 1.00 31.31 C ATOM 0 H ILE A 20 9.288 -5.374 -7.723 1.00 32.23 H new ATOM 0 HA ILE A 20 7.218 -4.460 -5.967 1.00 44.51 H new ATOM 0 HB ILE A 20 8.371 -7.219 -6.659 1.00 10.43 H new ATOM 0 HG12 ILE A 20 5.837 -5.819 -7.660 1.00 1.51 H new ATOM 0 HG13 ILE A 20 7.339 -5.912 -8.557 1.00 1.51 H new ATOM 0 HG21 ILE A 20 6.301 -8.229 -5.777 1.00 1.32 H new ATOM 0 HG22 ILE A 20 7.244 -7.408 -4.512 1.00 1.32 H new ATOM 0 HG23 ILE A 20 5.786 -6.634 -5.177 1.00 1.32 H new ATOM 0 HD11 ILE A 20 5.724 -7.554 -9.378 1.00 31.31 H new ATOM 0 HD12 ILE A 20 7.136 -8.372 -8.668 1.00 31.31 H new ATOM 0 HD13 ILE A 20 5.611 -8.277 -7.756 1.00 31.31 H new ATOM 345 N SER A 21 9.961 -5.722 -4.582 1.00 11.13 N ATOM 346 CA SER A 21 10.733 -5.850 -3.312 1.00 23.32 C ATOM 347 C SER A 21 10.985 -4.469 -2.672 1.00 71.30 C ATOM 348 O SER A 21 10.925 -4.313 -1.448 1.00 11.20 O ATOM 349 CB SER A 21 12.074 -6.584 -3.554 1.00 54.04 C ATOM 350 OG SER A 21 11.864 -7.915 -4.009 1.00 12.02 O ATOM 0 H SER A 21 10.482 -6.014 -5.409 1.00 11.13 H new ATOM 0 HA SER A 21 10.135 -6.442 -2.619 1.00 23.32 H new ATOM 0 HB2 SER A 21 12.663 -6.036 -4.289 1.00 54.04 H new ATOM 0 HB3 SER A 21 12.653 -6.601 -2.630 1.00 54.04 H new ATOM 0 HG SER A 21 11.509 -7.896 -4.922 1.00 12.02 H new ATOM 356 N ALA A 22 11.263 -3.474 -3.533 1.00 3.24 N ATOM 357 CA ALA A 22 11.371 -2.056 -3.136 1.00 61.40 C ATOM 358 C ALA A 22 10.035 -1.525 -2.574 1.00 2.41 C ATOM 359 O ALA A 22 10.011 -0.859 -1.537 1.00 24.22 O ATOM 360 CB ALA A 22 11.813 -1.217 -4.341 1.00 23.43 C ATOM 0 H ALA A 22 11.420 -3.630 -4.529 1.00 3.24 H new ATOM 0 HA ALA A 22 12.116 -1.977 -2.345 1.00 61.40 H new ATOM 0 HB1 ALA A 22 11.892 -0.171 -4.046 1.00 23.43 H new ATOM 0 HB2 ALA A 22 12.782 -1.569 -4.694 1.00 23.43 H new ATOM 0 HB3 ALA A 22 11.079 -1.314 -5.141 1.00 23.43 H new ATOM 366 N ALA A 23 8.927 -1.858 -3.267 1.00 21.23 N ATOM 367 CA ALA A 23 7.558 -1.463 -2.861 1.00 23.41 C ATOM 368 C ALA A 23 7.165 -2.048 -1.474 1.00 4.14 C ATOM 369 O ALA A 23 6.375 -1.443 -0.746 1.00 24.41 O ATOM 370 CB ALA A 23 6.546 -1.874 -3.939 1.00 70.03 C ATOM 0 H ALA A 23 8.954 -2.409 -4.125 1.00 21.23 H new ATOM 0 HA ALA A 23 7.544 -0.378 -2.760 1.00 23.41 H new ATOM 0 HB1 ALA A 23 5.544 -1.578 -3.629 1.00 70.03 H new ATOM 0 HB2 ALA A 23 6.795 -1.381 -4.879 1.00 70.03 H new ATOM 0 HB3 ALA A 23 6.579 -2.955 -4.076 1.00 70.03 H new ATOM 376 N TYR A 24 7.711 -3.238 -1.135 1.00 43.23 N ATOM 377 CA TYR A 24 7.587 -3.823 0.227 1.00 41.40 C ATOM 378 C TYR A 24 8.286 -2.933 1.284 1.00 20.43 C ATOM 379 O TYR A 24 7.701 -2.596 2.306 1.00 73.01 O ATOM 380 CB TYR A 24 8.194 -5.252 0.291 1.00 2.41 C ATOM 381 CG TYR A 24 7.499 -6.324 -0.567 1.00 25.25 C ATOM 382 CD1 TYR A 24 6.122 -6.298 -0.809 1.00 44.10 C ATOM 383 CD2 TYR A 24 8.231 -7.382 -1.117 1.00 11.43 C ATOM 384 CE1 TYR A 24 5.510 -7.282 -1.563 1.00 24.13 C ATOM 385 CE2 TYR A 24 7.621 -8.363 -1.865 1.00 25.15 C ATOM 386 CZ TYR A 24 6.264 -8.311 -2.087 1.00 44.22 C ATOM 387 OH TYR A 24 5.660 -9.296 -2.840 1.00 10.52 O ATOM 0 H TYR A 24 8.244 -3.816 -1.785 1.00 43.23 H new ATOM 0 HA TYR A 24 6.521 -3.879 0.448 1.00 41.40 H new ATOM 0 HB2 TYR A 24 9.239 -5.194 -0.013 1.00 2.41 H new ATOM 0 HB3 TYR A 24 8.182 -5.583 1.329 1.00 2.41 H new ATOM 0 HD1 TYR A 24 5.526 -5.495 -0.400 1.00 44.10 H new ATOM 0 HD2 TYR A 24 9.297 -7.430 -0.951 1.00 11.43 H new ATOM 0 HE1 TYR A 24 4.445 -7.245 -1.741 1.00 24.13 H new ATOM 0 HE2 TYR A 24 8.206 -9.172 -2.277 1.00 25.15 H new ATOM 0 HH TYR A 24 4.708 -9.346 -2.611 1.00 10.52 H new ATOM 397 N ARG A 25 9.538 -2.534 0.997 1.00 41.30 N ATOM 398 CA ARG A 25 10.360 -1.711 1.924 1.00 35.24 C ATOM 399 C ARG A 25 9.832 -0.251 2.030 1.00 55.34 C ATOM 400 O ARG A 25 10.230 0.504 2.927 1.00 44.54 O ATOM 401 CB ARG A 25 11.841 -1.732 1.463 1.00 33.41 C ATOM 402 CG ARG A 25 12.428 -3.155 1.332 1.00 5.13 C ATOM 403 CD ARG A 25 13.910 -3.172 0.908 1.00 10.45 C ATOM 404 NE ARG A 25 14.805 -2.613 1.949 1.00 61.03 N ATOM 405 CZ ARG A 25 15.951 -3.142 2.345 1.00 43.42 C ATOM 406 NH1 ARG A 25 16.380 -4.266 1.858 1.00 23.43 N ATOM 407 NH2 ARG A 25 16.654 -2.543 3.247 1.00 2.44 N ATOM 0 H ARG A 25 10.012 -2.767 0.125 1.00 41.30 H new ATOM 0 HA ARG A 25 10.287 -2.145 2.921 1.00 35.24 H new ATOM 0 HB2 ARG A 25 11.921 -1.225 0.501 1.00 33.41 H new ATOM 0 HB3 ARG A 25 12.442 -1.164 2.173 1.00 33.41 H new ATOM 0 HG2 ARG A 25 12.325 -3.671 2.287 1.00 5.13 H new ATOM 0 HG3 ARG A 25 11.843 -3.715 0.602 1.00 5.13 H new ATOM 0 HD2 ARG A 25 14.210 -4.197 0.688 1.00 10.45 H new ATOM 0 HD3 ARG A 25 14.028 -2.601 -0.013 1.00 10.45 H new ATOM 0 HE ARG A 25 14.512 -1.746 2.399 1.00 61.03 H new ATOM 0 HH11 ARG A 25 15.830 -4.760 1.155 1.00 23.43 H new ATOM 0 HH12 ARG A 25 17.267 -4.655 2.178 1.00 23.43 H new ATOM 0 HH21 ARG A 25 16.325 -1.666 3.651 1.00 2.44 H new ATOM 0 HH22 ARG A 25 17.538 -2.947 3.556 1.00 2.44 H new ATOM 421 N GLN A 26 8.961 0.144 1.082 1.00 24.35 N ATOM 422 CA GLN A 26 8.251 1.436 1.126 1.00 2.33 C ATOM 423 C GLN A 26 6.963 1.339 1.973 1.00 73.43 C ATOM 424 O GLN A 26 6.779 2.116 2.903 1.00 41.41 O ATOM 425 CB GLN A 26 7.937 1.935 -0.314 1.00 23.34 C ATOM 426 CG GLN A 26 9.202 2.238 -1.157 1.00 42.54 C ATOM 427 CD GLN A 26 10.144 3.274 -0.522 1.00 44.24 C ATOM 428 OE1 GLN A 26 9.592 4.280 0.143 1.00 74.42 O flip ATOM 429 NE2 GLN A 26 11.363 3.206 -0.668 1.00 50.02 N flip ATOM 0 H GLN A 26 8.730 -0.422 0.266 1.00 24.35 H new ATOM 0 HA GLN A 26 8.904 2.165 1.606 1.00 2.33 H new ATOM 0 HB2 GLN A 26 7.340 1.182 -0.828 1.00 23.34 H new ATOM 0 HB3 GLN A 26 7.328 2.837 -0.252 1.00 23.34 H new ATOM 0 HG2 GLN A 26 9.752 1.310 -1.314 1.00 42.54 H new ATOM 0 HG3 GLN A 26 8.894 2.596 -2.139 1.00 42.54 H new ATOM 0 HE21 GLN A 26 11.772 2.426 -1.182 1.00 50.02 H new ATOM 0 HE22 GLN A 26 11.965 3.930 -0.275 1.00 50.02 H new ATOM 438 N ILE A 27 6.088 0.366 1.650 1.00 53.11 N ATOM 439 CA ILE A 27 4.776 0.194 2.332 1.00 41.12 C ATOM 440 C ILE A 27 4.929 -0.588 3.660 1.00 30.32 C ATOM 441 O ILE A 27 4.743 -0.031 4.743 1.00 51.12 O ATOM 442 CB ILE A 27 3.745 -0.547 1.401 1.00 31.41 C ATOM 443 CG1 ILE A 27 3.597 0.209 0.046 1.00 51.13 C ATOM 444 CG2 ILE A 27 2.364 -0.721 2.099 1.00 53.01 C ATOM 445 CD1 ILE A 27 2.729 -0.507 -0.964 1.00 31.02 C ATOM 0 H ILE A 27 6.262 -0.321 0.916 1.00 53.11 H new ATOM 0 HA ILE A 27 4.399 1.192 2.555 1.00 41.12 H new ATOM 0 HB ILE A 27 4.132 -1.546 1.199 1.00 31.41 H new ATOM 0 HG12 ILE A 27 3.177 1.197 0.236 1.00 51.13 H new ATOM 0 HG13 ILE A 27 4.587 0.361 -0.384 1.00 51.13 H new ATOM 0 HG21 ILE A 27 1.679 -1.236 1.426 1.00 53.01 H new ATOM 0 HG22 ILE A 27 2.488 -1.307 3.010 1.00 53.01 H new ATOM 0 HG23 ILE A 27 1.958 0.259 2.351 1.00 53.01 H new ATOM 0 HD11 ILE A 27 2.675 0.082 -1.880 1.00 31.02 H new ATOM 0 HD12 ILE A 27 3.159 -1.484 -1.185 1.00 31.02 H new ATOM 0 HD13 ILE A 27 1.727 -0.636 -0.556 1.00 31.02 H new ATOM 457 N PHE A 28 5.308 -1.878 3.548 1.00 21.44 N ATOM 458 CA PHE A 28 5.466 -2.801 4.704 1.00 4.52 C ATOM 459 C PHE A 28 6.638 -2.373 5.628 1.00 71.01 C ATOM 460 O PHE A 28 6.729 -2.852 6.764 1.00 43.21 O ATOM 461 CB PHE A 28 5.705 -4.260 4.210 1.00 73.10 C ATOM 462 CG PHE A 28 4.579 -4.871 3.363 1.00 41.14 C ATOM 463 CD1 PHE A 28 4.346 -4.436 2.057 1.00 60.33 C ATOM 464 CD2 PHE A 28 3.776 -5.901 3.860 1.00 63.34 C ATOM 465 CE1 PHE A 28 3.355 -5.008 1.282 1.00 1.14 C ATOM 466 CE2 PHE A 28 2.782 -6.469 3.080 1.00 72.34 C ATOM 467 CZ PHE A 28 2.573 -6.020 1.794 1.00 63.33 C ATOM 0 H PHE A 28 5.515 -2.316 2.651 1.00 21.44 H new ATOM 0 HA PHE A 28 4.541 -2.755 5.279 1.00 4.52 H new ATOM 0 HB2 PHE A 28 6.625 -4.280 3.626 1.00 73.10 H new ATOM 0 HB3 PHE A 28 5.866 -4.896 5.080 1.00 73.10 H new ATOM 0 HD1 PHE A 28 4.950 -3.640 1.646 1.00 60.33 H new ATOM 0 HD2 PHE A 28 3.933 -6.259 4.867 1.00 63.34 H new ATOM 0 HE1 PHE A 28 3.193 -4.661 0.272 1.00 1.14 H new ATOM 0 HE2 PHE A 28 2.170 -7.264 3.480 1.00 72.34 H new ATOM 0 HZ PHE A 28 1.796 -6.462 1.187 1.00 63.33 H new ATOM 477 N GLU A 29 7.507 -1.458 5.110 1.00 11.53 N ATOM 478 CA GLU A 29 8.749 -0.962 5.764 1.00 11.04 C ATOM 479 C GLU A 29 9.872 -2.042 5.821 1.00 73.14 C ATOM 480 O GLU A 29 11.018 -1.788 5.437 1.00 13.31 O ATOM 481 CB GLU A 29 8.447 -0.341 7.168 1.00 71.13 C ATOM 482 CG GLU A 29 9.590 0.505 7.773 1.00 11.14 C ATOM 483 CD GLU A 29 9.926 1.750 6.926 1.00 51.43 C ATOM 484 OE1 GLU A 29 9.174 2.759 7.001 1.00 62.45 O ATOM 485 OE2 GLU A 29 10.925 1.725 6.175 1.00 63.43 O ATOM 0 H GLU A 29 7.355 -1.033 4.195 1.00 11.53 H new ATOM 0 HA GLU A 29 9.139 -0.162 5.135 1.00 11.04 H new ATOM 0 HB2 GLU A 29 7.558 0.284 7.087 1.00 71.13 H new ATOM 0 HB3 GLU A 29 8.208 -1.148 7.861 1.00 71.13 H new ATOM 0 HG2 GLU A 29 9.310 0.820 8.778 1.00 11.14 H new ATOM 0 HG3 GLU A 29 10.482 -0.114 7.870 1.00 11.14 H new ATOM 492 N ARG A 30 9.524 -3.237 6.315 1.00 12.33 N ATOM 493 CA ARG A 30 10.405 -4.428 6.312 1.00 23.22 C ATOM 494 C ARG A 30 10.810 -4.886 4.889 1.00 14.33 C ATOM 495 O ARG A 30 10.029 -4.806 3.930 1.00 30.14 O ATOM 496 CB ARG A 30 9.703 -5.616 7.033 1.00 45.22 C ATOM 497 CG ARG A 30 8.234 -5.840 6.594 1.00 44.53 C ATOM 498 CD ARG A 30 7.632 -7.194 7.049 1.00 22.53 C ATOM 499 NE ARG A 30 8.029 -7.614 8.418 1.00 44.54 N ATOM 500 CZ ARG A 30 7.676 -7.041 9.560 1.00 24.53 C ATOM 501 NH1 ARG A 30 7.015 -5.923 9.592 1.00 40.22 N ATOM 502 NH2 ARG A 30 8.026 -7.590 10.678 1.00 2.44 N ATOM 0 H ARG A 30 8.612 -3.414 6.735 1.00 12.33 H new ATOM 0 HA ARG A 30 11.313 -4.133 6.837 1.00 23.22 H new ATOM 0 HB2 ARG A 30 10.270 -6.528 6.846 1.00 45.22 H new ATOM 0 HB3 ARG A 30 9.727 -5.440 8.109 1.00 45.22 H new ATOM 0 HG2 ARG A 30 7.621 -5.031 6.991 1.00 44.53 H new ATOM 0 HG3 ARG A 30 8.178 -5.778 5.507 1.00 44.53 H new ATOM 0 HD2 ARG A 30 6.545 -7.128 7.003 1.00 22.53 H new ATOM 0 HD3 ARG A 30 7.934 -7.968 6.343 1.00 22.53 H new ATOM 0 HE ARG A 30 8.638 -8.430 8.486 1.00 44.54 H new ATOM 0 HH11 ARG A 30 6.753 -5.461 8.722 1.00 40.22 H new ATOM 0 HH12 ARG A 30 6.758 -5.508 10.488 1.00 40.22 H new ATOM 0 HH21 ARG A 30 8.568 -8.454 10.674 1.00 2.44 H new ATOM 0 HH22 ARG A 30 7.760 -7.159 11.563 1.00 2.44 H new ATOM 516 N ASP A 31 12.062 -5.352 4.788 1.00 3.40 N ATOM 517 CA ASP A 31 12.523 -6.165 3.658 1.00 73.23 C ATOM 518 C ASP A 31 11.883 -7.569 3.761 1.00 63.53 C ATOM 519 O ASP A 31 12.163 -8.318 4.709 1.00 11.05 O ATOM 520 CB ASP A 31 14.073 -6.263 3.656 1.00 2.34 C ATOM 521 CG ASP A 31 14.622 -7.056 2.457 1.00 3.24 C ATOM 522 OD1 ASP A 31 14.553 -6.542 1.321 1.00 30.31 O ATOM 523 OD2 ASP A 31 15.128 -8.187 2.640 1.00 0.05 O ATOM 0 H ASP A 31 12.783 -5.175 5.488 1.00 3.40 H new ATOM 0 HA ASP A 31 12.221 -5.698 2.721 1.00 73.23 H new ATOM 0 HB2 ASP A 31 14.495 -5.258 3.645 1.00 2.34 H new ATOM 0 HB3 ASP A 31 14.403 -6.737 4.580 1.00 2.34 H new ATOM 528 N ILE A 32 11.015 -7.916 2.796 1.00 24.45 N ATOM 529 CA ILE A 32 10.293 -9.209 2.804 1.00 42.21 C ATOM 530 C ILE A 32 11.111 -10.261 2.036 1.00 25.44 C ATOM 531 O ILE A 32 11.543 -10.013 0.901 1.00 20.12 O ATOM 532 CB ILE A 32 8.833 -9.090 2.198 1.00 25.03 C ATOM 533 CG1 ILE A 32 7.951 -8.151 3.091 1.00 45.42 C ATOM 534 CG2 ILE A 32 8.154 -10.485 2.014 1.00 25.34 C ATOM 535 CD1 ILE A 32 6.506 -8.000 2.635 1.00 55.32 C ATOM 0 H ILE A 32 10.793 -7.321 1.998 1.00 24.45 H new ATOM 0 HA ILE A 32 10.178 -9.518 3.843 1.00 42.21 H new ATOM 0 HB ILE A 32 8.924 -8.651 1.205 1.00 25.03 H new ATOM 0 HG12 ILE A 32 7.956 -8.535 4.111 1.00 45.42 H new ATOM 0 HG13 ILE A 32 8.412 -7.164 3.120 1.00 45.42 H new ATOM 0 HG21 ILE A 32 7.156 -10.352 1.596 1.00 25.34 H new ATOM 0 HG22 ILE A 32 8.752 -11.094 1.337 1.00 25.34 H new ATOM 0 HG23 ILE A 32 8.079 -10.984 2.980 1.00 25.34 H new ATOM 0 HD11 ILE A 32 5.978 -7.332 3.315 1.00 55.32 H new ATOM 0 HD12 ILE A 32 6.484 -7.584 1.628 1.00 55.32 H new ATOM 0 HD13 ILE A 32 6.021 -8.976 2.635 1.00 55.32 H new ATOM 547 N ALA A 33 11.319 -11.423 2.682 1.00 33.43 N ATOM 548 CA ALA A 33 12.049 -12.554 2.098 1.00 72.54 C ATOM 549 C ALA A 33 11.351 -13.060 0.802 1.00 74.11 C ATOM 550 O ALA A 33 10.148 -13.339 0.836 1.00 14.50 O ATOM 551 CB ALA A 33 12.159 -13.672 3.137 1.00 23.53 C ATOM 0 H ALA A 33 10.982 -11.601 3.628 1.00 33.43 H new ATOM 0 HA ALA A 33 13.051 -12.228 1.818 1.00 72.54 H new ATOM 0 HB1 ALA A 33 12.701 -14.515 2.708 1.00 23.53 H new ATOM 0 HB2 ALA A 33 12.694 -13.304 4.012 1.00 23.53 H new ATOM 0 HB3 ALA A 33 11.160 -13.994 3.432 1.00 23.53 H new ATOM 557 N PRO A 34 12.086 -13.144 -0.365 1.00 65.41 N ATOM 558 CA PRO A 34 11.507 -13.553 -1.687 1.00 55.33 C ATOM 559 C PRO A 34 10.675 -14.863 -1.671 1.00 74.44 C ATOM 560 O PRO A 34 9.714 -14.997 -2.439 1.00 64.24 O ATOM 561 CB PRO A 34 12.759 -13.706 -2.583 1.00 44.34 C ATOM 562 CG PRO A 34 13.742 -12.739 -2.003 1.00 60.53 C ATOM 563 CD PRO A 34 13.529 -12.793 -0.504 1.00 75.21 C ATOM 0 HA PRO A 34 10.782 -12.815 -2.031 1.00 55.33 H new ATOM 0 HB2 PRO A 34 13.143 -14.726 -2.561 1.00 44.34 H new ATOM 0 HB3 PRO A 34 12.536 -13.472 -3.624 1.00 44.34 H new ATOM 0 HG2 PRO A 34 14.764 -13.014 -2.264 1.00 60.53 H new ATOM 0 HG3 PRO A 34 13.575 -11.733 -2.387 1.00 60.53 H new ATOM 0 HD2 PRO A 34 14.170 -13.540 -0.035 1.00 75.21 H new ATOM 0 HD3 PRO A 34 13.756 -11.837 -0.032 1.00 75.21 H new ATOM 571 N TYR A 35 11.049 -15.823 -0.795 1.00 50.14 N ATOM 572 CA TYR A 35 10.299 -17.097 -0.640 1.00 71.35 C ATOM 573 C TYR A 35 8.924 -16.888 0.053 1.00 64.43 C ATOM 574 O TYR A 35 7.982 -17.636 -0.202 1.00 71.31 O ATOM 575 CB TYR A 35 11.145 -18.183 0.079 1.00 21.00 C ATOM 576 CG TYR A 35 11.677 -17.816 1.479 1.00 5.15 C ATOM 577 CD1 TYR A 35 10.926 -18.060 2.636 1.00 53.24 C ATOM 578 CD2 TYR A 35 12.940 -17.246 1.637 1.00 22.25 C ATOM 579 CE1 TYR A 35 11.418 -17.747 3.890 1.00 55.51 C ATOM 580 CE2 TYR A 35 13.434 -16.942 2.889 1.00 1.45 C ATOM 581 CZ TYR A 35 12.672 -17.191 4.010 1.00 54.13 C ATOM 582 OH TYR A 35 13.172 -16.882 5.260 1.00 4.34 O ATOM 0 H TYR A 35 11.863 -15.743 -0.185 1.00 50.14 H new ATOM 0 HA TYR A 35 10.093 -17.462 -1.646 1.00 71.35 H new ATOM 0 HB2 TYR A 35 10.540 -19.085 0.168 1.00 21.00 H new ATOM 0 HB3 TYR A 35 11.995 -18.431 -0.556 1.00 21.00 H new ATOM 0 HD1 TYR A 35 9.944 -18.501 2.547 1.00 53.24 H new ATOM 0 HD2 TYR A 35 13.542 -17.039 0.764 1.00 22.25 H new ATOM 0 HE1 TYR A 35 10.822 -17.938 4.770 1.00 55.51 H new ATOM 0 HE2 TYR A 35 14.418 -16.509 2.990 1.00 1.45 H new ATOM 0 HH TYR A 35 14.069 -16.498 5.168 1.00 4.34 H new ATOM 592 N ILE A 36 8.825 -15.870 0.925 1.00 10.42 N ATOM 593 CA ILE A 36 7.530 -15.427 1.498 1.00 54.32 C ATOM 594 C ILE A 36 6.703 -14.684 0.420 1.00 30.22 C ATOM 595 O ILE A 36 5.510 -14.936 0.258 1.00 24.42 O ATOM 596 CB ILE A 36 7.737 -14.478 2.742 1.00 1.31 C ATOM 597 CG1 ILE A 36 8.586 -15.187 3.848 1.00 54.22 C ATOM 598 CG2 ILE A 36 6.378 -13.990 3.312 1.00 2.33 C ATOM 599 CD1 ILE A 36 8.900 -14.330 5.068 1.00 60.45 C ATOM 0 H ILE A 36 9.627 -15.332 1.253 1.00 10.42 H new ATOM 0 HA ILE A 36 6.996 -16.316 1.832 1.00 54.32 H new ATOM 0 HB ILE A 36 8.287 -13.600 2.403 1.00 1.31 H new ATOM 0 HG12 ILE A 36 8.054 -16.079 4.177 1.00 54.22 H new ATOM 0 HG13 ILE A 36 9.525 -15.521 3.406 1.00 54.22 H new ATOM 0 HG21 ILE A 36 6.555 -13.339 4.168 1.00 2.33 H new ATOM 0 HG22 ILE A 36 5.837 -13.439 2.542 1.00 2.33 H new ATOM 0 HG23 ILE A 36 5.786 -14.849 3.627 1.00 2.33 H new ATOM 0 HD11 ILE A 36 9.492 -14.909 5.777 1.00 60.45 H new ATOM 0 HD12 ILE A 36 9.464 -13.450 4.759 1.00 60.45 H new ATOM 0 HD13 ILE A 36 7.970 -14.017 5.542 1.00 60.45 H new ATOM 611 N ALA A 37 7.379 -13.786 -0.323 1.00 25.12 N ATOM 612 CA ALA A 37 6.759 -12.960 -1.385 1.00 1.40 C ATOM 613 C ALA A 37 6.117 -13.817 -2.510 1.00 1.24 C ATOM 614 O ALA A 37 5.107 -13.424 -3.096 1.00 61.54 O ATOM 615 CB ALA A 37 7.813 -12.009 -1.971 1.00 22.50 C ATOM 0 H ALA A 37 8.377 -13.610 -0.205 1.00 25.12 H new ATOM 0 HA ALA A 37 5.951 -12.387 -0.930 1.00 1.40 H new ATOM 0 HB1 ALA A 37 7.359 -11.400 -2.753 1.00 22.50 H new ATOM 0 HB2 ALA A 37 8.197 -11.361 -1.183 1.00 22.50 H new ATOM 0 HB3 ALA A 37 8.633 -12.590 -2.394 1.00 22.50 H new ATOM 621 N GLN A 38 6.732 -14.975 -2.823 1.00 42.12 N ATOM 622 CA GLN A 38 6.176 -15.929 -3.815 1.00 63.30 C ATOM 623 C GLN A 38 5.044 -16.813 -3.216 1.00 51.32 C ATOM 624 O GLN A 38 4.284 -17.435 -3.955 1.00 14.10 O ATOM 625 CB GLN A 38 7.292 -16.791 -4.455 1.00 64.23 C ATOM 626 CG GLN A 38 8.005 -17.776 -3.515 1.00 11.43 C ATOM 627 CD GLN A 38 9.161 -18.542 -4.181 1.00 74.22 C ATOM 628 OE1 GLN A 38 10.142 -18.892 -3.535 1.00 40.35 O ATOM 629 NE2 GLN A 38 9.046 -18.842 -5.465 1.00 41.24 N ATOM 0 H GLN A 38 7.613 -15.276 -2.406 1.00 42.12 H new ATOM 0 HA GLN A 38 5.721 -15.333 -4.606 1.00 63.30 H new ATOM 0 HB2 GLN A 38 6.859 -17.356 -5.280 1.00 64.23 H new ATOM 0 HB3 GLN A 38 8.039 -16.123 -4.883 1.00 64.23 H new ATOM 0 HG2 GLN A 38 8.392 -17.229 -2.655 1.00 11.43 H new ATOM 0 HG3 GLN A 38 7.277 -18.493 -3.135 1.00 11.43 H new ATOM 0 HE21 GLN A 38 8.222 -18.542 -5.987 1.00 41.24 H new ATOM 0 HE22 GLN A 38 9.781 -19.373 -5.933 1.00 41.24 H new ATOM 638 N ASN A 39 4.963 -16.913 -1.880 1.00 51.44 N ATOM 639 CA ASN A 39 3.811 -17.566 -1.202 1.00 24.03 C ATOM 640 C ASN A 39 2.591 -16.613 -1.101 1.00 33.12 C ATOM 641 O ASN A 39 1.436 -17.060 -1.131 1.00 24.44 O ATOM 642 CB ASN A 39 4.222 -18.084 0.201 1.00 0.53 C ATOM 643 CG ASN A 39 5.264 -19.205 0.137 1.00 70.22 C ATOM 644 OD1 ASN A 39 5.349 -19.948 -0.840 1.00 61.34 O ATOM 645 ND2 ASN A 39 6.052 -19.354 1.185 1.00 22.43 N ATOM 0 H ASN A 39 5.674 -16.554 -1.242 1.00 51.44 H new ATOM 0 HA ASN A 39 3.511 -18.419 -1.811 1.00 24.03 H new ATOM 0 HB2 ASN A 39 4.621 -17.256 0.787 1.00 0.53 H new ATOM 0 HB3 ASN A 39 3.337 -18.446 0.723 1.00 0.53 H new ATOM 0 HD21 ASN A 39 6.750 -20.098 1.197 1.00 22.43 H new ATOM 0 HD22 ASN A 39 5.963 -18.726 1.983 1.00 22.43 H new ATOM 652 N GLU A 40 2.857 -15.302 -0.993 1.00 32.10 N ATOM 653 CA GLU A 40 1.805 -14.278 -0.779 1.00 32.32 C ATOM 654 C GLU A 40 1.318 -13.650 -2.110 1.00 74.54 C ATOM 655 O GLU A 40 0.119 -13.667 -2.421 1.00 52.11 O ATOM 656 CB GLU A 40 2.358 -13.163 0.158 1.00 61.24 C ATOM 657 CG GLU A 40 2.846 -13.645 1.541 1.00 24.02 C ATOM 658 CD GLU A 40 1.759 -14.360 2.360 1.00 62.34 C ATOM 659 OE1 GLU A 40 0.929 -13.668 2.988 1.00 5.35 O ATOM 660 OE2 GLU A 40 1.727 -15.611 2.378 1.00 60.01 O ATOM 0 H GLU A 40 3.800 -14.917 -1.050 1.00 32.10 H new ATOM 0 HA GLU A 40 0.948 -14.770 -0.320 1.00 32.32 H new ATOM 0 HB2 GLU A 40 3.185 -12.664 -0.347 1.00 61.24 H new ATOM 0 HB3 GLU A 40 1.578 -12.416 0.306 1.00 61.24 H new ATOM 0 HG2 GLU A 40 3.690 -14.321 1.404 1.00 24.02 H new ATOM 0 HG3 GLU A 40 3.212 -12.788 2.107 1.00 24.02 H new ATOM 667 N PHE A 41 2.266 -13.105 -2.890 1.00 32.43 N ATOM 668 CA PHE A 41 1.970 -12.258 -4.075 1.00 61.25 C ATOM 669 C PHE A 41 2.468 -12.835 -5.425 1.00 42.22 C ATOM 670 O PHE A 41 2.560 -12.074 -6.374 1.00 14.51 O ATOM 671 CB PHE A 41 2.597 -10.848 -3.865 1.00 45.51 C ATOM 672 CG PHE A 41 2.085 -10.097 -2.638 1.00 4.53 C ATOM 673 CD1 PHE A 41 0.809 -9.533 -2.627 1.00 11.54 C ATOM 674 CD2 PHE A 41 2.880 -9.952 -1.501 1.00 45.00 C ATOM 675 CE1 PHE A 41 0.353 -8.846 -1.518 1.00 51.03 C ATOM 676 CE2 PHE A 41 2.423 -9.264 -0.399 1.00 14.54 C ATOM 677 CZ PHE A 41 1.164 -8.714 -0.410 1.00 71.23 C ATOM 0 H PHE A 41 3.264 -13.235 -2.723 1.00 32.43 H new ATOM 0 HA PHE A 41 0.883 -12.215 -4.147 1.00 61.25 H new ATOM 0 HB2 PHE A 41 3.679 -10.955 -3.783 1.00 45.51 H new ATOM 0 HB3 PHE A 41 2.403 -10.244 -4.751 1.00 45.51 H new ATOM 0 HD1 PHE A 41 0.172 -9.634 -3.493 1.00 11.54 H new ATOM 0 HD2 PHE A 41 3.869 -10.386 -1.485 1.00 45.00 H new ATOM 0 HE1 PHE A 41 -0.637 -8.413 -1.519 1.00 51.03 H new ATOM 0 HE2 PHE A 41 3.053 -9.157 0.472 1.00 14.54 H new ATOM 0 HZ PHE A 41 0.807 -8.175 0.455 1.00 71.23 H new ATOM 687 N SER A 42 2.749 -14.153 -5.548 1.00 3.11 N ATOM 688 CA SER A 42 3.221 -14.741 -6.860 1.00 1.45 C ATOM 689 C SER A 42 2.130 -14.679 -7.953 1.00 61.22 C ATOM 690 O SER A 42 2.435 -14.568 -9.151 1.00 61.11 O ATOM 691 CB SER A 42 3.682 -16.203 -6.705 1.00 61.20 C ATOM 692 OG SER A 42 2.622 -17.045 -6.272 1.00 42.43 O ATOM 0 H SER A 42 2.666 -14.828 -4.788 1.00 3.11 H new ATOM 0 HA SER A 42 4.068 -14.128 -7.167 1.00 1.45 H new ATOM 0 HB2 SER A 42 4.069 -16.566 -7.657 1.00 61.20 H new ATOM 0 HB3 SER A 42 4.502 -16.252 -5.988 1.00 61.20 H new ATOM 0 HG SER A 42 2.842 -17.424 -5.395 1.00 42.43 H new ATOM 698 N GLY A 43 0.860 -14.747 -7.515 1.00 51.13 N ATOM 699 CA GLY A 43 -0.293 -14.662 -8.415 1.00 44.35 C ATOM 700 C GLY A 43 -0.617 -13.221 -8.811 1.00 32.23 C ATOM 701 O GLY A 43 -1.148 -12.973 -9.884 1.00 64.24 O ATOM 0 H GLY A 43 0.610 -14.862 -6.533 1.00 51.13 H new ATOM 0 HA2 GLY A 43 -0.094 -15.247 -9.313 1.00 44.35 H new ATOM 0 HA3 GLY A 43 -1.162 -15.107 -7.931 1.00 44.35 H new ATOM 705 N TRP A 44 -0.328 -12.283 -7.896 1.00 75.13 N ATOM 706 CA TRP A 44 -0.526 -10.820 -8.087 1.00 43.04 C ATOM 707 C TRP A 44 0.643 -10.188 -8.897 1.00 63.33 C ATOM 708 O TRP A 44 0.450 -9.234 -9.661 1.00 25.34 O ATOM 709 CB TRP A 44 -0.669 -10.188 -6.665 1.00 42.43 C ATOM 710 CG TRP A 44 -1.141 -8.743 -6.588 1.00 34.42 C ATOM 711 CD1 TRP A 44 -0.607 -7.750 -5.802 1.00 2.54 C ATOM 712 CD2 TRP A 44 -2.265 -8.141 -7.271 1.00 72.13 C ATOM 713 NE1 TRP A 44 -1.303 -6.583 -5.971 1.00 21.11 N ATOM 714 CE2 TRP A 44 -2.323 -6.794 -6.859 1.00 34.44 C ATOM 715 CE3 TRP A 44 -3.225 -8.602 -8.187 1.00 25.22 C ATOM 716 CZ2 TRP A 44 -3.296 -5.916 -7.326 1.00 11.14 C ATOM 717 CZ3 TRP A 44 -4.184 -7.722 -8.656 1.00 74.31 C ATOM 718 CH2 TRP A 44 -4.213 -6.391 -8.223 1.00 41.24 C ATOM 0 H TRP A 44 0.058 -12.515 -6.981 1.00 75.13 H new ATOM 0 HA TRP A 44 -1.424 -10.625 -8.674 1.00 43.04 H new ATOM 0 HB2 TRP A 44 -1.364 -10.801 -6.092 1.00 42.43 H new ATOM 0 HB3 TRP A 44 0.299 -10.254 -6.168 1.00 42.43 H new ATOM 0 HD1 TRP A 44 0.241 -7.873 -5.145 1.00 2.54 H new ATOM 0 HE1 TRP A 44 -1.095 -5.698 -5.509 1.00 21.11 H new ATOM 0 HE3 TRP A 44 -3.215 -9.629 -8.521 1.00 25.22 H new ATOM 0 HZ2 TRP A 44 -3.326 -4.890 -6.990 1.00 11.14 H new ATOM 0 HZ3 TRP A 44 -4.921 -8.067 -9.366 1.00 74.31 H new ATOM 0 HH2 TRP A 44 -4.974 -5.726 -8.605 1.00 41.24 H new ATOM 729 N GLU A 45 1.846 -10.766 -8.729 1.00 74.32 N ATOM 730 CA GLU A 45 3.102 -10.342 -9.404 1.00 74.24 C ATOM 731 C GLU A 45 3.059 -10.621 -10.917 1.00 1.32 C ATOM 732 O GLU A 45 3.565 -9.823 -11.721 1.00 75.15 O ATOM 733 CB GLU A 45 4.311 -11.056 -8.698 1.00 73.02 C ATOM 734 CG GLU A 45 5.664 -11.139 -9.473 1.00 60.52 C ATOM 735 CD GLU A 45 5.870 -12.463 -10.242 1.00 75.25 C ATOM 736 OE1 GLU A 45 6.173 -13.494 -9.596 1.00 44.50 O ATOM 737 OE2 GLU A 45 5.717 -12.493 -11.479 1.00 73.45 O ATOM 0 H GLU A 45 1.983 -11.562 -8.106 1.00 74.32 H new ATOM 0 HA GLU A 45 3.223 -9.263 -9.310 1.00 74.24 H new ATOM 0 HB2 GLU A 45 4.497 -10.544 -7.754 1.00 73.02 H new ATOM 0 HB3 GLU A 45 4.003 -12.073 -8.454 1.00 73.02 H new ATOM 0 HG2 GLU A 45 5.718 -10.310 -10.178 1.00 60.52 H new ATOM 0 HG3 GLU A 45 6.484 -11.010 -8.766 1.00 60.52 H new ATOM 744 N SER A 46 2.445 -11.757 -11.287 1.00 31.43 N ATOM 745 CA SER A 46 2.296 -12.178 -12.698 1.00 72.04 C ATOM 746 C SER A 46 1.522 -11.134 -13.536 1.00 30.12 C ATOM 747 O SER A 46 1.876 -10.879 -14.691 1.00 60.10 O ATOM 748 CB SER A 46 1.594 -13.548 -12.770 1.00 32.50 C ATOM 749 OG SER A 46 0.290 -13.499 -12.217 1.00 41.03 O ATOM 0 H SER A 46 2.037 -12.412 -10.620 1.00 31.43 H new ATOM 0 HA SER A 46 3.296 -12.261 -13.124 1.00 72.04 H new ATOM 0 HB2 SER A 46 1.537 -13.873 -13.809 1.00 32.50 H new ATOM 0 HB3 SER A 46 2.188 -14.290 -12.236 1.00 32.50 H new ATOM 0 HG SER A 46 0.344 -13.238 -11.274 1.00 41.03 H new ATOM 755 N LYS A 47 0.481 -10.521 -12.932 1.00 4.24 N ATOM 756 CA LYS A 47 -0.307 -9.439 -13.576 1.00 73.02 C ATOM 757 C LYS A 47 0.559 -8.187 -13.865 1.00 72.24 C ATOM 758 O LYS A 47 0.371 -7.529 -14.885 1.00 3.25 O ATOM 759 CB LYS A 47 -1.539 -9.021 -12.719 1.00 73.15 C ATOM 760 CG LYS A 47 -2.770 -9.956 -12.777 1.00 71.21 C ATOM 761 CD LYS A 47 -2.565 -11.284 -12.036 1.00 24.40 C ATOM 762 CE LYS A 47 -3.812 -12.177 -12.056 1.00 0.44 C ATOM 763 NZ LYS A 47 -3.617 -13.408 -11.247 1.00 52.40 N ATOM 0 H LYS A 47 0.162 -10.757 -11.992 1.00 4.24 H new ATOM 0 HA LYS A 47 -0.661 -9.851 -14.521 1.00 73.02 H new ATOM 0 HB2 LYS A 47 -1.220 -8.941 -11.680 1.00 73.15 H new ATOM 0 HB3 LYS A 47 -1.852 -8.025 -13.034 1.00 73.15 H new ATOM 0 HG2 LYS A 47 -3.629 -9.439 -12.349 1.00 71.21 H new ATOM 0 HG3 LYS A 47 -3.010 -10.164 -13.820 1.00 71.21 H new ATOM 0 HD2 LYS A 47 -1.732 -11.822 -12.488 1.00 24.40 H new ATOM 0 HD3 LYS A 47 -2.288 -11.078 -11.002 1.00 24.40 H new ATOM 0 HE2 LYS A 47 -4.666 -11.619 -11.671 1.00 0.44 H new ATOM 0 HE3 LYS A 47 -4.048 -12.450 -13.084 1.00 0.44 H new ATOM 0 HZ1 LYS A 47 -3.574 -14.234 -11.877 1.00 52.40 H new ATOM 0 HZ2 LYS A 47 -2.728 -13.334 -10.712 1.00 52.40 H new ATOM 0 HZ3 LYS A 47 -4.412 -13.518 -10.585 1.00 52.40 H new ATOM 777 N LEU A 48 1.482 -7.846 -12.944 1.00 73.11 N ATOM 778 CA LEU A 48 2.368 -6.664 -13.111 1.00 61.04 C ATOM 779 C LEU A 48 3.453 -6.922 -14.189 1.00 24.41 C ATOM 780 O LEU A 48 3.713 -6.065 -15.040 1.00 61.52 O ATOM 781 CB LEU A 48 3.029 -6.263 -11.757 1.00 22.40 C ATOM 782 CG LEU A 48 3.876 -4.943 -11.785 1.00 15.05 C ATOM 783 CD1 LEU A 48 3.003 -3.730 -12.181 1.00 64.14 C ATOM 784 CD2 LEU A 48 4.590 -4.699 -10.435 1.00 54.14 C ATOM 0 H LEU A 48 1.637 -8.365 -12.080 1.00 73.11 H new ATOM 0 HA LEU A 48 1.747 -5.834 -13.448 1.00 61.04 H new ATOM 0 HB2 LEU A 48 2.245 -6.155 -11.008 1.00 22.40 H new ATOM 0 HB3 LEU A 48 3.672 -7.080 -11.430 1.00 22.40 H new ATOM 0 HG LEU A 48 4.647 -5.064 -12.546 1.00 15.05 H new ATOM 0 HD11 LEU A 48 3.616 -2.829 -12.192 1.00 64.14 H new ATOM 0 HD12 LEU A 48 2.581 -3.894 -13.172 1.00 64.14 H new ATOM 0 HD13 LEU A 48 2.196 -3.611 -11.458 1.00 64.14 H new ATOM 0 HD21 LEU A 48 5.167 -3.776 -10.490 1.00 54.14 H new ATOM 0 HD22 LEU A 48 3.848 -4.616 -9.641 1.00 54.14 H new ATOM 0 HD23 LEU A 48 5.258 -5.533 -10.221 1.00 54.14 H new ATOM 796 N GLY A 49 4.050 -8.127 -14.159 1.00 25.20 N ATOM 797 CA GLY A 49 5.138 -8.490 -15.081 1.00 1.20 C ATOM 798 C GLY A 49 4.689 -8.660 -16.533 1.00 64.21 C ATOM 799 O GLY A 49 5.426 -8.326 -17.471 1.00 70.33 O ATOM 0 H GLY A 49 3.796 -8.866 -13.504 1.00 25.20 H new ATOM 0 HA2 GLY A 49 5.910 -7.721 -15.037 1.00 1.20 H new ATOM 0 HA3 GLY A 49 5.594 -9.420 -14.741 1.00 1.20 H new ATOM 803 N ASN A 50 3.466 -9.187 -16.710 1.00 11.53 N ATOM 804 CA ASN A 50 2.867 -9.420 -18.043 1.00 44.35 C ATOM 805 C ASN A 50 2.007 -8.203 -18.498 1.00 63.22 C ATOM 806 O ASN A 50 1.739 -8.039 -19.694 1.00 43.23 O ATOM 807 CB ASN A 50 2.034 -10.721 -18.016 1.00 51.03 C ATOM 808 CG ASN A 50 2.837 -11.956 -17.595 1.00 22.21 C ATOM 809 OD1 ASN A 50 4.031 -12.065 -17.864 1.00 73.13 O ATOM 810 ND2 ASN A 50 2.190 -12.898 -16.927 1.00 41.44 N ATOM 0 H ASN A 50 2.862 -9.465 -15.936 1.00 11.53 H new ATOM 0 HA ASN A 50 3.668 -9.533 -18.774 1.00 44.35 H new ATOM 0 HB2 ASN A 50 1.196 -10.592 -17.331 1.00 51.03 H new ATOM 0 HB3 ASN A 50 1.612 -10.893 -19.006 1.00 51.03 H new ATOM 0 HD21 ASN A 50 2.683 -13.738 -16.623 1.00 41.44 H new ATOM 0 HD22 ASN A 50 1.199 -12.784 -16.716 1.00 41.44 H new ATOM 817 N GLY A 51 1.606 -7.354 -17.527 1.00 24.43 N ATOM 818 CA GLY A 51 0.970 -6.048 -17.811 1.00 72.21 C ATOM 819 C GLY A 51 -0.570 -6.027 -17.759 1.00 40.32 C ATOM 820 O GLY A 51 -1.182 -5.110 -18.310 1.00 14.41 O ATOM 0 H GLY A 51 1.713 -7.552 -16.532 1.00 24.43 H new ATOM 0 HA2 GLY A 51 1.349 -5.318 -17.096 1.00 72.21 H new ATOM 0 HA3 GLY A 51 1.286 -5.719 -18.801 1.00 72.21 H new ATOM 824 N GLU A 52 -1.201 -7.022 -17.096 1.00 60.11 N ATOM 825 CA GLU A 52 -2.685 -7.049 -16.898 1.00 5.55 C ATOM 826 C GLU A 52 -3.168 -5.939 -15.923 1.00 20.30 C ATOM 827 O GLU A 52 -4.307 -5.472 -16.027 1.00 50.53 O ATOM 828 CB GLU A 52 -3.175 -8.433 -16.377 1.00 15.33 C ATOM 829 CG GLU A 52 -3.064 -9.609 -17.378 1.00 22.55 C ATOM 830 CD GLU A 52 -1.626 -10.049 -17.670 1.00 41.00 C ATOM 831 OE1 GLU A 52 -0.982 -10.602 -16.757 1.00 45.44 O ATOM 832 OE2 GLU A 52 -1.137 -9.854 -18.807 1.00 10.21 O ATOM 0 H GLU A 52 -0.715 -7.820 -16.686 1.00 60.11 H new ATOM 0 HA GLU A 52 -3.118 -6.864 -17.881 1.00 5.55 H new ATOM 0 HB2 GLU A 52 -2.604 -8.686 -15.484 1.00 15.33 H new ATOM 0 HB3 GLU A 52 -4.217 -8.337 -16.073 1.00 15.33 H new ATOM 0 HG2 GLU A 52 -3.620 -10.460 -16.985 1.00 22.55 H new ATOM 0 HG3 GLU A 52 -3.542 -9.321 -18.315 1.00 22.55 H new ATOM 839 N ILE A 53 -2.301 -5.551 -14.965 1.00 3.20 N ATOM 840 CA ILE A 53 -2.582 -4.442 -14.004 1.00 50.52 C ATOM 841 C ILE A 53 -1.526 -3.329 -14.121 1.00 32.51 C ATOM 842 O ILE A 53 -0.498 -3.503 -14.771 1.00 40.35 O ATOM 843 CB ILE A 53 -2.642 -4.927 -12.501 1.00 13.00 C ATOM 844 CG1 ILE A 53 -1.242 -5.438 -12.014 1.00 25.43 C ATOM 845 CG2 ILE A 53 -3.743 -5.997 -12.309 1.00 2.11 C ATOM 846 CD1 ILE A 53 -1.201 -5.913 -10.573 1.00 63.23 C ATOM 0 H ILE A 53 -1.390 -5.989 -14.829 1.00 3.20 H new ATOM 0 HA ILE A 53 -3.565 -4.059 -14.277 1.00 50.52 H new ATOM 0 HB ILE A 53 -2.906 -4.071 -11.879 1.00 13.00 H new ATOM 0 HG12 ILE A 53 -0.925 -6.257 -12.660 1.00 25.43 H new ATOM 0 HG13 ILE A 53 -0.515 -4.635 -12.137 1.00 25.43 H new ATOM 0 HG21 ILE A 53 -3.764 -6.314 -11.266 1.00 2.11 H new ATOM 0 HG22 ILE A 53 -4.711 -5.576 -12.580 1.00 2.11 H new ATOM 0 HG23 ILE A 53 -3.531 -6.856 -12.946 1.00 2.11 H new ATOM 0 HD11 ILE A 53 -0.193 -6.247 -10.328 1.00 63.23 H new ATOM 0 HD12 ILE A 53 -1.482 -5.094 -9.912 1.00 63.23 H new ATOM 0 HD13 ILE A 53 -1.899 -6.740 -10.443 1.00 63.23 H new ATOM 858 N THR A 54 -1.801 -2.189 -13.463 1.00 2.32 N ATOM 859 CA THR A 54 -0.846 -1.067 -13.357 1.00 74.53 C ATOM 860 C THR A 54 0.006 -1.205 -12.077 1.00 23.15 C ATOM 861 O THR A 54 -0.266 -2.064 -11.220 1.00 24.45 O ATOM 862 CB THR A 54 -1.580 0.314 -13.313 1.00 63.32 C ATOM 863 OG1 THR A 54 -2.270 0.473 -12.058 1.00 0.41 O ATOM 864 CG2 THR A 54 -2.578 0.483 -14.478 1.00 75.04 C ATOM 0 H THR A 54 -2.688 -2.018 -12.990 1.00 2.32 H new ATOM 0 HA THR A 54 -0.211 -1.105 -14.242 1.00 74.53 H new ATOM 0 HB THR A 54 -0.816 1.085 -13.415 1.00 63.32 H new ATOM 0 HG1 THR A 54 -3.179 0.799 -12.224 1.00 0.41 H new ATOM 0 HG21 THR A 54 -3.062 1.457 -14.404 1.00 75.04 H new ATOM 0 HG22 THR A 54 -2.045 0.414 -15.426 1.00 75.04 H new ATOM 0 HG23 THR A 54 -3.332 -0.302 -14.428 1.00 75.04 H new ATOM 872 N VAL A 55 1.021 -0.339 -11.940 1.00 1.12 N ATOM 873 CA VAL A 55 1.862 -0.284 -10.726 1.00 72.43 C ATOM 874 C VAL A 55 1.065 0.317 -9.537 1.00 22.10 C ATOM 875 O VAL A 55 1.186 -0.168 -8.414 1.00 41.42 O ATOM 876 CB VAL A 55 3.191 0.516 -10.988 1.00 13.41 C ATOM 877 CG1 VAL A 55 4.117 0.556 -9.748 1.00 15.12 C ATOM 878 CG2 VAL A 55 3.940 -0.060 -12.213 1.00 72.34 C ATOM 0 H VAL A 55 1.283 0.338 -12.657 1.00 1.12 H new ATOM 0 HA VAL A 55 2.144 -1.303 -10.462 1.00 72.43 H new ATOM 0 HB VAL A 55 2.905 1.546 -11.200 1.00 13.41 H new ATOM 0 HG11 VAL A 55 5.019 1.120 -9.985 1.00 15.12 H new ATOM 0 HG12 VAL A 55 3.596 1.036 -8.920 1.00 15.12 H new ATOM 0 HG13 VAL A 55 4.389 -0.461 -9.464 1.00 15.12 H new ATOM 0 HG21 VAL A 55 4.857 0.506 -12.378 1.00 72.34 H new ATOM 0 HG22 VAL A 55 4.188 -1.106 -12.030 1.00 72.34 H new ATOM 0 HG23 VAL A 55 3.304 0.013 -13.095 1.00 72.34 H new ATOM 888 N LYS A 56 0.238 1.361 -9.807 1.00 14.41 N ATOM 889 CA LYS A 56 -0.712 1.937 -8.807 1.00 64.20 C ATOM 890 C LYS A 56 -1.645 0.867 -8.191 1.00 71.10 C ATOM 891 O LYS A 56 -1.766 0.779 -6.974 1.00 11.21 O ATOM 892 CB LYS A 56 -1.585 3.045 -9.459 1.00 73.41 C ATOM 893 CG LYS A 56 -2.672 3.646 -8.541 1.00 74.42 C ATOM 894 CD LYS A 56 -3.594 4.662 -9.254 1.00 12.22 C ATOM 895 CE LYS A 56 -4.732 5.153 -8.334 1.00 4.15 C ATOM 896 NZ LYS A 56 -5.582 4.029 -7.839 1.00 21.24 N ATOM 0 H LYS A 56 0.207 1.826 -10.714 1.00 14.41 H new ATOM 0 HA LYS A 56 -0.100 2.358 -8.009 1.00 64.20 H new ATOM 0 HB2 LYS A 56 -0.931 3.849 -9.797 1.00 73.41 H new ATOM 0 HB3 LYS A 56 -2.067 2.632 -10.345 1.00 73.41 H new ATOM 0 HG2 LYS A 56 -3.281 2.838 -8.136 1.00 74.42 H new ATOM 0 HG3 LYS A 56 -2.190 4.137 -7.695 1.00 74.42 H new ATOM 0 HD2 LYS A 56 -3.004 5.515 -9.588 1.00 12.22 H new ATOM 0 HD3 LYS A 56 -4.021 4.201 -10.145 1.00 12.22 H new ATOM 0 HE2 LYS A 56 -4.305 5.685 -7.484 1.00 4.15 H new ATOM 0 HE3 LYS A 56 -5.354 5.865 -8.877 1.00 4.15 H new ATOM 0 HZ1 LYS A 56 -6.585 4.290 -7.922 1.00 21.24 H new ATOM 0 HZ2 LYS A 56 -5.397 3.178 -8.407 1.00 21.24 H new ATOM 0 HZ3 LYS A 56 -5.356 3.836 -6.842 1.00 21.24 H new ATOM 910 N GLU A 57 -2.292 0.063 -9.047 1.00 20.10 N ATOM 911 CA GLU A 57 -3.251 -0.983 -8.613 1.00 61.50 C ATOM 912 C GLU A 57 -2.550 -2.130 -7.851 1.00 24.40 C ATOM 913 O GLU A 57 -3.130 -2.703 -6.921 1.00 15.24 O ATOM 914 CB GLU A 57 -4.055 -1.513 -9.844 1.00 61.23 C ATOM 915 CG GLU A 57 -5.381 -0.760 -10.134 1.00 65.33 C ATOM 916 CD GLU A 57 -5.263 0.786 -10.147 1.00 51.20 C ATOM 917 OE1 GLU A 57 -4.879 1.356 -11.188 1.00 24.31 O ATOM 918 OE2 GLU A 57 -5.568 1.433 -9.115 1.00 64.45 O ATOM 0 H GLU A 57 -2.171 0.113 -10.059 1.00 20.10 H new ATOM 0 HA GLU A 57 -3.952 -0.532 -7.910 1.00 61.50 H new ATOM 0 HB2 GLU A 57 -3.420 -1.453 -10.728 1.00 61.23 H new ATOM 0 HB3 GLU A 57 -4.281 -2.567 -9.685 1.00 61.23 H new ATOM 0 HG2 GLU A 57 -5.765 -1.089 -11.100 1.00 65.33 H new ATOM 0 HG3 GLU A 57 -6.117 -1.048 -9.383 1.00 65.33 H new ATOM 925 N PHE A 58 -1.303 -2.448 -8.255 1.00 3.44 N ATOM 926 CA PHE A 58 -0.453 -3.434 -7.554 1.00 14.03 C ATOM 927 C PHE A 58 -0.123 -2.960 -6.112 1.00 24.31 C ATOM 928 O PHE A 58 -0.311 -3.697 -5.139 1.00 52.31 O ATOM 929 CB PHE A 58 0.858 -3.673 -8.359 1.00 45.44 C ATOM 930 CG PHE A 58 1.737 -4.794 -7.791 1.00 2.35 C ATOM 931 CD1 PHE A 58 1.517 -6.121 -8.151 1.00 23.13 C ATOM 932 CD2 PHE A 58 2.758 -4.526 -6.876 1.00 25.21 C ATOM 933 CE1 PHE A 58 2.282 -7.137 -7.621 1.00 45.13 C ATOM 934 CE2 PHE A 58 3.513 -5.548 -6.344 1.00 1.42 C ATOM 935 CZ PHE A 58 3.272 -6.853 -6.717 1.00 43.53 C ATOM 0 H PHE A 58 -0.858 -2.031 -9.073 1.00 3.44 H new ATOM 0 HA PHE A 58 -1.003 -4.372 -7.482 1.00 14.03 H new ATOM 0 HB2 PHE A 58 0.601 -3.913 -9.391 1.00 45.44 H new ATOM 0 HB3 PHE A 58 1.434 -2.748 -8.381 1.00 45.44 H new ATOM 0 HD1 PHE A 58 0.734 -6.358 -8.857 1.00 23.13 H new ATOM 0 HD2 PHE A 58 2.958 -3.506 -6.582 1.00 25.21 H new ATOM 0 HE1 PHE A 58 2.101 -8.159 -7.919 1.00 45.13 H new ATOM 0 HE2 PHE A 58 4.295 -5.326 -5.633 1.00 1.42 H new ATOM 0 HZ PHE A 58 3.864 -7.652 -6.296 1.00 43.53 H new ATOM 945 N ILE A 59 0.353 -1.712 -6.022 1.00 21.34 N ATOM 946 CA ILE A 59 0.828 -1.074 -4.770 1.00 45.34 C ATOM 947 C ILE A 59 -0.329 -0.768 -3.781 1.00 20.43 C ATOM 948 O ILE A 59 -0.180 -0.942 -2.563 1.00 11.12 O ATOM 949 CB ILE A 59 1.658 0.220 -5.152 1.00 32.50 C ATOM 950 CG1 ILE A 59 3.039 -0.219 -5.754 1.00 54.44 C ATOM 951 CG2 ILE A 59 1.836 1.219 -3.987 1.00 11.24 C ATOM 952 CD1 ILE A 59 3.936 0.912 -6.212 1.00 64.10 C ATOM 0 H ILE A 59 0.424 -1.096 -6.832 1.00 21.34 H new ATOM 0 HA ILE A 59 1.474 -1.770 -4.235 1.00 45.34 H new ATOM 0 HB ILE A 59 1.083 0.769 -5.898 1.00 32.50 H new ATOM 0 HG12 ILE A 59 3.573 -0.804 -5.005 1.00 54.44 H new ATOM 0 HG13 ILE A 59 2.854 -0.879 -6.601 1.00 54.44 H new ATOM 0 HG21 ILE A 59 2.415 2.077 -4.329 1.00 11.24 H new ATOM 0 HG22 ILE A 59 0.858 1.555 -3.643 1.00 11.24 H new ATOM 0 HG23 ILE A 59 2.361 0.731 -3.166 1.00 11.24 H new ATOM 0 HD11 ILE A 59 4.864 0.502 -6.611 1.00 64.10 H new ATOM 0 HD12 ILE A 59 3.430 1.486 -6.988 1.00 64.10 H new ATOM 0 HD13 ILE A 59 4.161 1.563 -5.367 1.00 64.10 H new ATOM 964 N GLU A 60 -1.466 -0.319 -4.320 1.00 63.43 N ATOM 965 CA GLU A 60 -2.723 -0.167 -3.557 1.00 71.01 C ATOM 966 C GLU A 60 -3.179 -1.548 -2.996 1.00 62.24 C ATOM 967 O GLU A 60 -3.628 -1.646 -1.855 1.00 1.31 O ATOM 968 CB GLU A 60 -3.816 0.471 -4.468 1.00 42.31 C ATOM 969 CG GLU A 60 -5.075 0.979 -3.729 1.00 50.51 C ATOM 970 CD GLU A 60 -6.154 1.548 -4.674 1.00 61.22 C ATOM 971 OE1 GLU A 60 -6.097 2.749 -5.028 1.00 64.43 O ATOM 972 OE2 GLU A 60 -7.068 0.796 -5.066 1.00 53.13 O ATOM 0 H GLU A 60 -1.548 -0.048 -5.300 1.00 63.43 H new ATOM 0 HA GLU A 60 -2.559 0.497 -2.708 1.00 71.01 H new ATOM 0 HB2 GLU A 60 -3.372 1.305 -5.011 1.00 42.31 H new ATOM 0 HB3 GLU A 60 -4.123 -0.266 -5.211 1.00 42.31 H new ATOM 0 HG2 GLU A 60 -5.504 0.160 -3.152 1.00 50.51 H new ATOM 0 HG3 GLU A 60 -4.782 1.751 -3.017 1.00 50.51 H new ATOM 979 N GLY A 61 -2.997 -2.615 -3.814 1.00 13.42 N ATOM 980 CA GLY A 61 -3.239 -4.011 -3.389 1.00 54.05 C ATOM 981 C GLY A 61 -2.280 -4.513 -2.287 1.00 32.34 C ATOM 982 O GLY A 61 -2.671 -5.336 -1.449 1.00 21.52 O ATOM 0 H GLY A 61 -2.680 -2.530 -4.780 1.00 13.42 H new ATOM 0 HA2 GLY A 61 -4.264 -4.097 -3.029 1.00 54.05 H new ATOM 0 HA3 GLY A 61 -3.150 -4.664 -4.257 1.00 54.05 H new ATOM 986 N LEU A 62 -1.016 -4.029 -2.299 1.00 11.43 N ATOM 987 CA LEU A 62 -0.029 -4.312 -1.218 1.00 73.12 C ATOM 988 C LEU A 62 -0.465 -3.650 0.116 1.00 21.42 C ATOM 989 O LEU A 62 -0.266 -4.206 1.201 1.00 41.23 O ATOM 990 CB LEU A 62 1.387 -3.802 -1.598 1.00 73.40 C ATOM 991 CG LEU A 62 2.047 -4.393 -2.881 1.00 34.24 C ATOM 992 CD1 LEU A 62 3.454 -3.791 -3.101 1.00 3.53 C ATOM 993 CD2 LEU A 62 2.102 -5.936 -2.837 1.00 34.50 C ATOM 0 H LEU A 62 -0.650 -3.438 -3.046 1.00 11.43 H new ATOM 0 HA LEU A 62 0.006 -5.394 -1.092 1.00 73.12 H new ATOM 0 HB2 LEU A 62 1.334 -2.720 -1.716 1.00 73.40 H new ATOM 0 HB3 LEU A 62 2.052 -3.999 -0.757 1.00 73.40 H new ATOM 0 HG LEU A 62 1.422 -4.117 -3.730 1.00 34.24 H new ATOM 0 HD11 LEU A 62 3.896 -4.218 -4.002 1.00 3.53 H new ATOM 0 HD12 LEU A 62 3.374 -2.710 -3.213 1.00 3.53 H new ATOM 0 HD13 LEU A 62 4.086 -4.021 -2.243 1.00 3.53 H new ATOM 0 HD21 LEU A 62 2.569 -6.310 -3.749 1.00 34.50 H new ATOM 0 HD22 LEU A 62 2.686 -6.255 -1.974 1.00 34.50 H new ATOM 0 HD23 LEU A 62 1.090 -6.334 -2.758 1.00 34.50 H new ATOM 1005 N GLY A 63 -1.031 -2.436 -0.002 1.00 21.15 N ATOM 1006 CA GLY A 63 -1.648 -1.731 1.132 1.00 41.35 C ATOM 1007 C GLY A 63 -2.879 -2.448 1.726 1.00 1.31 C ATOM 1008 O GLY A 63 -3.227 -2.224 2.884 1.00 72.52 O ATOM 0 H GLY A 63 -1.073 -1.920 -0.881 1.00 21.15 H new ATOM 0 HA2 GLY A 63 -0.902 -1.604 1.916 1.00 41.35 H new ATOM 0 HA3 GLY A 63 -1.943 -0.733 0.808 1.00 41.35 H new ATOM 1012 N TYR A 64 -3.545 -3.297 0.912 1.00 42.13 N ATOM 1013 CA TYR A 64 -4.706 -4.122 1.352 1.00 75.05 C ATOM 1014 C TYR A 64 -4.256 -5.428 2.074 1.00 74.25 C ATOM 1015 O TYR A 64 -5.058 -6.059 2.781 1.00 55.52 O ATOM 1016 CB TYR A 64 -5.609 -4.483 0.132 1.00 14.33 C ATOM 1017 CG TYR A 64 -6.318 -3.307 -0.585 1.00 14.21 C ATOM 1018 CD1 TYR A 64 -6.188 -1.976 -0.168 1.00 1.12 C ATOM 1019 CD2 TYR A 64 -7.138 -3.552 -1.696 1.00 13.41 C ATOM 1020 CE1 TYR A 64 -6.837 -0.951 -0.832 1.00 72.15 C ATOM 1021 CE2 TYR A 64 -7.789 -2.526 -2.356 1.00 30.02 C ATOM 1022 CZ TYR A 64 -7.636 -1.230 -1.920 1.00 21.24 C ATOM 1023 OH TYR A 64 -8.289 -0.205 -2.572 1.00 51.12 O ATOM 0 H TYR A 64 -3.298 -3.434 -0.068 1.00 42.13 H new ATOM 0 HA TYR A 64 -5.273 -3.523 2.065 1.00 75.05 H new ATOM 0 HB2 TYR A 64 -4.996 -5.008 -0.601 1.00 14.33 H new ATOM 0 HB3 TYR A 64 -6.372 -5.184 0.470 1.00 14.33 H new ATOM 0 HD1 TYR A 64 -5.570 -1.746 0.687 1.00 1.12 H new ATOM 0 HD2 TYR A 64 -7.264 -4.566 -2.044 1.00 13.41 H new ATOM 0 HE1 TYR A 64 -6.718 0.069 -0.498 1.00 72.15 H new ATOM 0 HE2 TYR A 64 -8.415 -2.741 -3.210 1.00 30.02 H new ATOM 0 HH TYR A 64 -7.817 0.007 -3.404 1.00 51.12 H new ATOM 1033 N SER A 65 -2.982 -5.828 1.865 1.00 11.21 N ATOM 1034 CA SER A 65 -2.398 -7.072 2.442 1.00 61.33 C ATOM 1035 C SER A 65 -2.409 -7.093 3.984 1.00 63.21 C ATOM 1036 O SER A 65 -1.740 -6.276 4.623 1.00 12.21 O ATOM 1037 CB SER A 65 -0.951 -7.251 1.964 1.00 75.10 C ATOM 1038 OG SER A 65 -0.321 -8.368 2.589 1.00 61.05 O ATOM 0 H SER A 65 -2.324 -5.300 1.291 1.00 11.21 H new ATOM 0 HA SER A 65 -3.029 -7.889 2.093 1.00 61.33 H new ATOM 0 HB2 SER A 65 -0.940 -7.385 0.882 1.00 75.10 H new ATOM 0 HB3 SER A 65 -0.383 -6.346 2.179 1.00 75.10 H new ATOM 0 HG SER A 65 0.652 -8.275 2.522 1.00 61.05 H new ATOM 1044 N ASN A 66 -3.106 -8.096 4.562 1.00 32.35 N ATOM 1045 CA ASN A 66 -3.272 -8.241 6.028 1.00 61.14 C ATOM 1046 C ASN A 66 -1.907 -8.465 6.753 1.00 73.54 C ATOM 1047 O ASN A 66 -1.827 -8.316 7.968 1.00 13.43 O ATOM 1048 CB ASN A 66 -4.269 -9.395 6.334 1.00 43.32 C ATOM 1049 CG ASN A 66 -4.777 -9.409 7.784 1.00 5.43 C ATOM 1050 OD1 ASN A 66 -5.795 -8.804 8.106 1.00 13.32 O ATOM 1051 ND2 ASN A 66 -4.073 -10.090 8.670 1.00 0.24 N ATOM 0 H ASN A 66 -3.570 -8.829 4.026 1.00 32.35 H new ATOM 0 HA ASN A 66 -3.681 -7.308 6.416 1.00 61.14 H new ATOM 0 HB2 ASN A 66 -5.122 -9.313 5.661 1.00 43.32 H new ATOM 0 HB3 ASN A 66 -3.784 -10.347 6.120 1.00 43.32 H new ATOM 0 HD21 ASN A 66 -4.372 -10.121 9.645 1.00 0.24 H new ATOM 0 HD22 ASN A 66 -3.230 -10.585 8.380 1.00 0.24 H new ATOM 1058 N LEU A 67 -0.844 -8.836 5.998 1.00 44.42 N ATOM 1059 CA LEU A 67 0.545 -8.886 6.524 1.00 20.54 C ATOM 1060 C LEU A 67 1.022 -7.476 6.982 1.00 42.14 C ATOM 1061 O LEU A 67 1.527 -7.318 8.104 1.00 64.42 O ATOM 1062 CB LEU A 67 1.508 -9.467 5.449 1.00 1.20 C ATOM 1063 CG LEU A 67 3.028 -9.535 5.839 1.00 14.41 C ATOM 1064 CD1 LEU A 67 3.253 -10.356 7.131 1.00 23.13 C ATOM 1065 CD2 LEU A 67 3.884 -10.086 4.670 1.00 63.11 C ATOM 0 H LEU A 67 -0.922 -9.107 5.018 1.00 44.42 H new ATOM 0 HA LEU A 67 0.556 -9.542 7.395 1.00 20.54 H new ATOM 0 HB2 LEU A 67 1.174 -10.474 5.199 1.00 1.20 H new ATOM 0 HB3 LEU A 67 1.414 -8.866 4.545 1.00 1.20 H new ATOM 0 HG LEU A 67 3.355 -8.515 6.042 1.00 14.41 H new ATOM 0 HD11 LEU A 67 4.317 -10.379 7.367 1.00 23.13 H new ATOM 0 HD12 LEU A 67 2.709 -9.894 7.955 1.00 23.13 H new ATOM 0 HD13 LEU A 67 2.892 -11.374 6.983 1.00 23.13 H new ATOM 0 HD21 LEU A 67 4.931 -10.121 4.971 1.00 63.11 H new ATOM 0 HD22 LEU A 67 3.546 -11.090 4.414 1.00 63.11 H new ATOM 0 HD23 LEU A 67 3.777 -9.435 3.802 1.00 63.11 H new ATOM 1077 N TYR A 68 0.838 -6.461 6.104 1.00 45.31 N ATOM 1078 CA TYR A 68 1.132 -5.038 6.429 1.00 3.33 C ATOM 1079 C TYR A 68 0.309 -4.558 7.645 1.00 33.11 C ATOM 1080 O TYR A 68 0.849 -3.952 8.581 1.00 33.33 O ATOM 1081 CB TYR A 68 0.847 -4.124 5.194 1.00 54.41 C ATOM 1082 CG TYR A 68 0.961 -2.604 5.458 1.00 34.31 C ATOM 1083 CD1 TYR A 68 2.096 -2.055 6.070 1.00 4.33 C ATOM 1084 CD2 TYR A 68 -0.069 -1.721 5.105 1.00 11.33 C ATOM 1085 CE1 TYR A 68 2.191 -0.698 6.322 1.00 24.24 C ATOM 1086 CE2 TYR A 68 0.031 -0.362 5.351 1.00 13.45 C ATOM 1087 CZ TYR A 68 1.163 0.144 5.962 1.00 22.40 C ATOM 1088 OH TYR A 68 1.263 1.500 6.218 1.00 54.45 O ATOM 0 H TYR A 68 0.485 -6.600 5.157 1.00 45.31 H new ATOM 0 HA TYR A 68 2.189 -4.968 6.686 1.00 3.33 H new ATOM 0 HB2 TYR A 68 1.541 -4.391 4.397 1.00 54.41 H new ATOM 0 HB3 TYR A 68 -0.157 -4.338 4.828 1.00 54.41 H new ATOM 0 HD1 TYR A 68 2.912 -2.704 6.350 1.00 4.33 H new ATOM 0 HD2 TYR A 68 -0.959 -2.109 4.631 1.00 11.33 H new ATOM 0 HE1 TYR A 68 3.072 -0.299 6.802 1.00 24.24 H new ATOM 0 HE2 TYR A 68 -0.773 0.301 5.066 1.00 13.45 H new ATOM 0 HH TYR A 68 2.197 1.783 6.123 1.00 54.45 H new ATOM 1098 N LEU A 69 -0.994 -4.852 7.619 1.00 33.12 N ATOM 1099 CA LEU A 69 -1.941 -4.385 8.647 1.00 12.53 C ATOM 1100 C LEU A 69 -1.764 -5.102 10.002 1.00 53.13 C ATOM 1101 O LEU A 69 -2.040 -4.514 11.042 1.00 61.21 O ATOM 1102 CB LEU A 69 -3.408 -4.467 8.140 1.00 11.14 C ATOM 1103 CG LEU A 69 -3.798 -3.457 6.999 1.00 62.10 C ATOM 1104 CD1 LEU A 69 -3.145 -2.073 7.210 1.00 60.11 C ATOM 1105 CD2 LEU A 69 -3.496 -3.993 5.595 1.00 24.31 C ATOM 0 H LEU A 69 -1.426 -5.419 6.889 1.00 33.12 H new ATOM 0 HA LEU A 69 -1.707 -3.336 8.830 1.00 12.53 H new ATOM 0 HB2 LEU A 69 -3.592 -5.480 7.781 1.00 11.14 H new ATOM 0 HB3 LEU A 69 -4.074 -4.303 8.987 1.00 11.14 H new ATOM 0 HG LEU A 69 -4.879 -3.338 7.066 1.00 62.10 H new ATOM 0 HD11 LEU A 69 -3.439 -1.405 6.401 1.00 60.11 H new ATOM 0 HD12 LEU A 69 -3.474 -1.657 8.162 1.00 60.11 H new ATOM 0 HD13 LEU A 69 -2.060 -2.180 7.216 1.00 60.11 H new ATOM 0 HD21 LEU A 69 -3.787 -3.251 4.852 1.00 24.31 H new ATOM 0 HD22 LEU A 69 -2.429 -4.197 5.505 1.00 24.31 H new ATOM 0 HD23 LEU A 69 -4.057 -4.913 5.428 1.00 24.31 H new ATOM 1117 N LYS A 70 -1.301 -6.364 9.987 1.00 12.14 N ATOM 1118 CA LYS A 70 -0.959 -7.105 11.226 1.00 74.01 C ATOM 1119 C LYS A 70 0.178 -6.387 11.998 1.00 75.54 C ATOM 1120 O LYS A 70 0.190 -6.351 13.230 1.00 41.41 O ATOM 1121 CB LYS A 70 -0.527 -8.554 10.882 1.00 51.52 C ATOM 1122 CG LYS A 70 -0.215 -9.449 12.110 1.00 10.24 C ATOM 1123 CD LYS A 70 0.397 -10.821 11.726 1.00 34.21 C ATOM 1124 CE LYS A 70 1.732 -10.680 10.970 1.00 72.41 C ATOM 1125 NZ LYS A 70 2.421 -11.975 10.799 1.00 64.55 N ATOM 0 H LYS A 70 -1.153 -6.898 9.131 1.00 12.14 H new ATOM 0 HA LYS A 70 -1.845 -7.137 11.860 1.00 74.01 H new ATOM 0 HB2 LYS A 70 -1.318 -9.025 10.298 1.00 51.52 H new ATOM 0 HB3 LYS A 70 0.357 -8.513 10.246 1.00 51.52 H new ATOM 0 HG2 LYS A 70 0.475 -8.922 12.769 1.00 10.24 H new ATOM 0 HG3 LYS A 70 -1.133 -9.613 12.675 1.00 10.24 H new ATOM 0 HD2 LYS A 70 0.555 -11.410 12.629 1.00 34.21 H new ATOM 0 HD3 LYS A 70 -0.312 -11.371 11.106 1.00 34.21 H new ATOM 0 HE2 LYS A 70 1.547 -10.238 9.991 1.00 72.41 H new ATOM 0 HE3 LYS A 70 2.383 -9.994 11.512 1.00 72.41 H new ATOM 0 HZ1 LYS A 70 3.313 -11.828 10.285 1.00 64.55 H new ATOM 0 HZ2 LYS A 70 2.623 -12.387 11.732 1.00 64.55 H new ATOM 0 HZ3 LYS A 70 1.813 -12.623 10.259 1.00 64.55 H new ATOM 1139 N GLU A 71 1.132 -5.828 11.243 1.00 12.43 N ATOM 1140 CA GLU A 71 2.280 -5.089 11.803 1.00 34.54 C ATOM 1141 C GLU A 71 1.930 -3.630 12.210 1.00 5.53 C ATOM 1142 O GLU A 71 2.234 -3.217 13.327 1.00 3.54 O ATOM 1143 CB GLU A 71 3.439 -5.099 10.774 1.00 21.41 C ATOM 1144 CG GLU A 71 3.926 -6.510 10.386 1.00 52.45 C ATOM 1145 CD GLU A 71 4.443 -7.328 11.589 1.00 14.23 C ATOM 1146 OE1 GLU A 71 5.518 -6.990 12.131 1.00 45.33 O ATOM 1147 OE2 GLU A 71 3.782 -8.304 11.999 1.00 12.03 O ATOM 0 H GLU A 71 1.133 -5.873 10.224 1.00 12.43 H new ATOM 0 HA GLU A 71 2.580 -5.595 12.721 1.00 34.54 H new ATOM 0 HB2 GLU A 71 3.115 -4.578 9.873 1.00 21.41 H new ATOM 0 HB3 GLU A 71 4.278 -4.537 11.183 1.00 21.41 H new ATOM 0 HG2 GLU A 71 3.108 -7.052 9.911 1.00 52.45 H new ATOM 0 HG3 GLU A 71 4.722 -6.422 9.646 1.00 52.45 H new ATOM 1154 N PHE A 72 1.288 -2.857 11.302 1.00 63.21 N ATOM 1155 CA PHE A 72 1.137 -1.369 11.444 1.00 2.21 C ATOM 1156 C PHE A 72 -0.342 -0.887 11.473 1.00 24.34 C ATOM 1157 O PHE A 72 -0.637 0.231 11.025 1.00 22.11 O ATOM 1158 CB PHE A 72 1.919 -0.663 10.291 1.00 30.33 C ATOM 1159 CG PHE A 72 3.436 -0.855 10.359 1.00 11.44 C ATOM 1160 CD1 PHE A 72 4.189 -0.196 11.332 1.00 65.52 C ATOM 1161 CD2 PHE A 72 4.106 -1.689 9.463 1.00 60.21 C ATOM 1162 CE1 PHE A 72 5.559 -0.364 11.404 1.00 14.44 C ATOM 1163 CE2 PHE A 72 5.476 -1.856 9.538 1.00 71.23 C ATOM 1164 CZ PHE A 72 6.201 -1.195 10.508 1.00 64.52 C ATOM 0 H PHE A 72 0.860 -3.232 10.455 1.00 63.21 H new ATOM 0 HA PHE A 72 1.553 -1.097 12.414 1.00 2.21 H new ATOM 0 HB2 PHE A 72 1.558 -1.042 9.335 1.00 30.33 H new ATOM 0 HB3 PHE A 72 1.697 0.404 10.315 1.00 30.33 H new ATOM 0 HD1 PHE A 72 3.694 0.454 12.038 1.00 65.52 H new ATOM 0 HD2 PHE A 72 3.547 -2.211 8.701 1.00 60.21 H new ATOM 0 HE1 PHE A 72 6.127 0.155 12.162 1.00 14.44 H new ATOM 0 HE2 PHE A 72 5.980 -2.505 8.836 1.00 71.23 H new ATOM 0 HZ PHE A 72 7.271 -1.328 10.566 1.00 64.52 H new ATOM 1174 N TYR A 73 -1.251 -1.690 12.056 1.00 54.02 N ATOM 1175 CA TYR A 73 -2.690 -1.306 12.172 1.00 40.31 C ATOM 1176 C TYR A 73 -3.396 -2.000 13.353 1.00 72.33 C ATOM 1177 O TYR A 73 -3.942 -1.336 14.235 1.00 52.51 O ATOM 1178 CB TYR A 73 -3.422 -1.593 10.832 1.00 4.14 C ATOM 1179 CG TYR A 73 -4.956 -1.531 10.879 1.00 20.52 C ATOM 1180 CD1 TYR A 73 -5.627 -0.323 11.068 1.00 73.20 C ATOM 1181 CD2 TYR A 73 -5.728 -2.689 10.734 1.00 65.23 C ATOM 1182 CE1 TYR A 73 -7.005 -0.273 11.111 1.00 32.44 C ATOM 1183 CE2 TYR A 73 -7.106 -2.641 10.773 1.00 13.22 C ATOM 1184 CZ TYR A 73 -7.741 -1.430 10.961 1.00 53.50 C ATOM 1185 OH TYR A 73 -9.119 -1.376 11.011 1.00 74.10 O ATOM 0 H TYR A 73 -1.028 -2.602 12.454 1.00 54.02 H new ATOM 0 HA TYR A 73 -2.731 -0.237 12.380 1.00 40.31 H new ATOM 0 HB2 TYR A 73 -3.071 -0.877 10.088 1.00 4.14 H new ATOM 0 HB3 TYR A 73 -3.128 -2.584 10.485 1.00 4.14 H new ATOM 0 HD1 TYR A 73 -5.059 0.588 11.183 1.00 73.20 H new ATOM 0 HD2 TYR A 73 -5.235 -3.639 10.589 1.00 65.23 H new ATOM 0 HE1 TYR A 73 -7.507 0.671 11.262 1.00 32.44 H new ATOM 0 HE2 TYR A 73 -7.685 -3.546 10.657 1.00 13.22 H new ATOM 0 HH TYR A 73 -9.486 -2.276 10.887 1.00 74.10 H new ATOM 1195 N THR A 74 -3.390 -3.339 13.355 1.00 11.01 N ATOM 1196 CA THR A 74 -4.095 -4.158 14.369 1.00 64.10 C ATOM 1197 C THR A 74 -3.519 -4.003 15.824 1.00 1.34 C ATOM 1198 O THR A 74 -4.305 -4.046 16.778 1.00 1.14 O ATOM 1199 CB THR A 74 -4.160 -5.669 13.953 1.00 2.05 C ATOM 1200 OG1 THR A 74 -2.848 -6.175 13.718 1.00 44.14 O ATOM 1201 CG2 THR A 74 -5.013 -5.888 12.685 1.00 34.10 C ATOM 0 H THR A 74 -2.897 -3.893 12.655 1.00 11.01 H new ATOM 0 HA THR A 74 -5.110 -3.762 14.400 1.00 64.10 H new ATOM 0 HB THR A 74 -4.629 -6.204 14.779 1.00 2.05 H new ATOM 0 HG1 THR A 74 -2.874 -7.154 13.697 1.00 44.14 H new ATOM 0 HG21 THR A 74 -5.029 -6.949 12.436 1.00 34.10 H new ATOM 0 HG22 THR A 74 -6.031 -5.543 12.867 1.00 34.10 H new ATOM 0 HG23 THR A 74 -4.583 -5.327 11.856 1.00 34.10 H new ATOM 1209 N PRO A 75 -2.163 -3.829 16.050 1.00 24.23 N ATOM 1210 CA PRO A 75 -1.635 -3.421 17.377 1.00 62.32 C ATOM 1211 C PRO A 75 -1.478 -1.875 17.541 1.00 74.42 C ATOM 1212 O PRO A 75 -1.129 -1.399 18.621 1.00 72.22 O ATOM 1213 CB PRO A 75 -0.265 -4.140 17.404 1.00 23.25 C ATOM 1214 CG PRO A 75 0.204 -4.095 15.978 1.00 51.44 C ATOM 1215 CD PRO A 75 -1.039 -4.082 15.106 1.00 74.54 C ATOM 0 HA PRO A 75 -2.304 -3.686 18.195 1.00 62.32 H new ATOM 0 HB2 PRO A 75 0.436 -3.636 18.070 1.00 23.25 H new ATOM 0 HB3 PRO A 75 -0.361 -5.166 17.759 1.00 23.25 H new ATOM 0 HG2 PRO A 75 0.811 -3.208 15.799 1.00 51.44 H new ATOM 0 HG3 PRO A 75 0.828 -4.959 15.749 1.00 51.44 H new ATOM 0 HD2 PRO A 75 -0.980 -3.305 14.344 1.00 74.54 H new ATOM 0 HD3 PRO A 75 -1.166 -5.031 14.584 1.00 74.54 H new ATOM 1223 N TYR A 76 -1.740 -1.106 16.458 1.00 42.52 N ATOM 1224 CA TYR A 76 -1.558 0.377 16.427 1.00 35.33 C ATOM 1225 C TYR A 76 -2.909 1.138 16.577 1.00 74.45 C ATOM 1226 O TYR A 76 -3.943 0.660 16.109 1.00 22.11 O ATOM 1227 CB TYR A 76 -0.857 0.810 15.096 1.00 53.03 C ATOM 1228 CG TYR A 76 0.668 0.599 15.071 1.00 25.43 C ATOM 1229 CD1 TYR A 76 1.224 -0.670 15.185 1.00 62.35 C ATOM 1230 CD2 TYR A 76 1.548 1.674 14.931 1.00 71.21 C ATOM 1231 CE1 TYR A 76 2.593 -0.859 15.167 1.00 35.21 C ATOM 1232 CE2 TYR A 76 2.918 1.487 14.907 1.00 32.54 C ATOM 1233 CZ TYR A 76 3.435 0.217 15.025 1.00 24.03 C ATOM 1234 OH TYR A 76 4.804 0.018 15.003 1.00 73.31 O ATOM 0 H TYR A 76 -2.084 -1.490 15.578 1.00 42.52 H new ATOM 0 HA TYR A 76 -0.930 0.641 17.278 1.00 35.33 H new ATOM 0 HB2 TYR A 76 -1.300 0.253 14.271 1.00 53.03 H new ATOM 0 HB3 TYR A 76 -1.067 1.865 14.918 1.00 53.03 H new ATOM 0 HD1 TYR A 76 0.573 -1.525 15.290 1.00 62.35 H new ATOM 0 HD2 TYR A 76 1.150 2.674 14.839 1.00 71.21 H new ATOM 0 HE1 TYR A 76 3.001 -1.854 15.265 1.00 35.21 H new ATOM 0 HE2 TYR A 76 3.579 2.334 14.796 1.00 32.54 H new ATOM 0 HH TYR A 76 5.101 -0.112 14.078 1.00 73.31 H new ATOM 1244 N PRO A 77 -2.918 2.347 17.237 1.00 22.35 N ATOM 1245 CA PRO A 77 -4.100 3.253 17.221 1.00 52.14 C ATOM 1246 C PRO A 77 -4.342 3.850 15.807 1.00 72.14 C ATOM 1247 O PRO A 77 -3.377 4.105 15.074 1.00 75.01 O ATOM 1248 CB PRO A 77 -3.726 4.347 18.258 1.00 5.43 C ATOM 1249 CG PRO A 77 -2.226 4.349 18.282 1.00 72.40 C ATOM 1250 CD PRO A 77 -1.812 2.905 18.066 1.00 71.14 C ATOM 0 HA PRO A 77 -5.032 2.744 17.467 1.00 52.14 H new ATOM 0 HB2 PRO A 77 -4.119 5.321 17.966 1.00 5.43 H new ATOM 0 HB3 PRO A 77 -4.138 4.119 19.241 1.00 5.43 H new ATOM 0 HG2 PRO A 77 -1.822 4.993 17.501 1.00 72.40 H new ATOM 0 HG3 PRO A 77 -1.850 4.727 19.233 1.00 72.40 H new ATOM 0 HD2 PRO A 77 -0.852 2.835 17.554 1.00 71.14 H new ATOM 0 HD3 PRO A 77 -1.710 2.371 19.011 1.00 71.14 H new ATOM 1258 N ASN A 78 -5.627 4.094 15.458 1.00 72.20 N ATOM 1259 CA ASN A 78 -6.042 4.504 14.089 1.00 62.01 C ATOM 1260 C ASN A 78 -5.309 5.779 13.599 1.00 11.24 C ATOM 1261 O ASN A 78 -4.927 5.860 12.430 1.00 61.23 O ATOM 1262 CB ASN A 78 -7.581 4.714 14.014 1.00 31.51 C ATOM 1263 CG ASN A 78 -8.401 3.439 14.253 1.00 44.20 C ATOM 1264 OD1 ASN A 78 -7.984 2.532 14.966 1.00 12.01 O ATOM 1265 ND2 ASN A 78 -9.587 3.371 13.671 1.00 42.13 N ATOM 0 H ASN A 78 -6.405 4.014 16.112 1.00 72.20 H new ATOM 0 HA ASN A 78 -5.757 3.688 13.424 1.00 62.01 H new ATOM 0 HB2 ASN A 78 -7.871 5.463 14.751 1.00 31.51 H new ATOM 0 HB3 ASN A 78 -7.834 5.117 13.034 1.00 31.51 H new ATOM 0 HD21 ASN A 78 -10.177 2.551 13.811 1.00 42.13 H new ATOM 0 HD22 ASN A 78 -9.911 4.139 13.083 1.00 42.13 H new ATOM 1272 N THR A 79 -5.110 6.766 14.500 1.00 63.42 N ATOM 1273 CA THR A 79 -4.358 8.016 14.211 1.00 14.14 C ATOM 1274 C THR A 79 -2.871 7.764 13.814 1.00 71.34 C ATOM 1275 O THR A 79 -2.332 8.449 12.933 1.00 23.32 O ATOM 1276 CB THR A 79 -4.430 8.970 15.457 1.00 43.43 C ATOM 1277 OG1 THR A 79 -5.808 9.179 15.811 1.00 72.13 O ATOM 1278 CG2 THR A 79 -3.765 10.341 15.216 1.00 2.14 C ATOM 0 H THR A 79 -5.467 6.722 15.455 1.00 63.42 H new ATOM 0 HA THR A 79 -4.832 8.482 13.347 1.00 14.14 H new ATOM 0 HB THR A 79 -3.879 8.482 16.261 1.00 43.43 H new ATOM 0 HG1 THR A 79 -5.859 9.772 16.589 1.00 72.13 H new ATOM 0 HG21 THR A 79 -3.850 10.950 16.116 1.00 2.14 H new ATOM 0 HG22 THR A 79 -2.712 10.197 14.974 1.00 2.14 H new ATOM 0 HG23 THR A 79 -4.262 10.846 14.388 1.00 2.14 H new ATOM 1286 N LYS A 80 -2.208 6.791 14.475 1.00 34.41 N ATOM 1287 CA LYS A 80 -0.807 6.407 14.135 1.00 73.11 C ATOM 1288 C LYS A 80 -0.725 5.690 12.759 1.00 70.24 C ATOM 1289 O LYS A 80 0.270 5.824 12.033 1.00 31.14 O ATOM 1290 CB LYS A 80 -0.189 5.507 15.237 1.00 4.01 C ATOM 1291 CG LYS A 80 1.338 5.272 15.087 1.00 42.04 C ATOM 1292 CD LYS A 80 2.170 6.547 15.368 1.00 42.00 C ATOM 1293 CE LYS A 80 3.681 6.322 15.191 1.00 35.42 C ATOM 1294 NZ LYS A 80 4.467 7.562 15.424 1.00 11.23 N ATOM 0 H LYS A 80 -2.611 6.256 15.244 1.00 34.41 H new ATOM 0 HA LYS A 80 -0.232 7.331 14.073 1.00 73.11 H new ATOM 0 HB2 LYS A 80 -0.381 5.960 16.210 1.00 4.01 H new ATOM 0 HB3 LYS A 80 -0.696 4.542 15.229 1.00 4.01 H new ATOM 0 HG2 LYS A 80 1.649 4.482 15.771 1.00 42.04 H new ATOM 0 HG3 LYS A 80 1.550 4.920 14.077 1.00 42.04 H new ATOM 0 HD2 LYS A 80 1.845 7.343 14.698 1.00 42.00 H new ATOM 0 HD3 LYS A 80 1.974 6.887 16.385 1.00 42.00 H new ATOM 0 HE2 LYS A 80 4.014 5.548 15.882 1.00 35.42 H new ATOM 0 HE3 LYS A 80 3.876 5.955 14.183 1.00 35.42 H new ATOM 0 HZ1 LYS A 80 5.407 7.313 15.793 1.00 11.23 H new ATOM 0 HZ2 LYS A 80 4.573 8.079 14.528 1.00 11.23 H new ATOM 0 HZ3 LYS A 80 3.972 8.162 16.114 1.00 11.23 H new ATOM 1308 N VAL A 81 -1.789 4.943 12.417 1.00 53.40 N ATOM 1309 CA VAL A 81 -1.916 4.257 11.107 1.00 2.44 C ATOM 1310 C VAL A 81 -2.015 5.305 9.965 1.00 24.40 C ATOM 1311 O VAL A 81 -1.539 5.076 8.850 1.00 50.25 O ATOM 1312 CB VAL A 81 -3.175 3.305 11.078 1.00 51.22 C ATOM 1313 CG1 VAL A 81 -3.257 2.483 9.763 1.00 15.14 C ATOM 1314 CG2 VAL A 81 -3.188 2.371 12.314 1.00 70.04 C ATOM 0 H VAL A 81 -2.587 4.794 13.035 1.00 53.40 H new ATOM 0 HA VAL A 81 -1.026 3.645 10.959 1.00 2.44 H new ATOM 0 HB VAL A 81 -4.060 3.941 11.115 1.00 51.22 H new ATOM 0 HG11 VAL A 81 -4.139 1.843 9.789 1.00 15.14 H new ATOM 0 HG12 VAL A 81 -3.326 3.162 8.913 1.00 15.14 H new ATOM 0 HG13 VAL A 81 -2.364 1.866 9.663 1.00 15.14 H new ATOM 0 HG21 VAL A 81 -4.065 1.724 12.272 1.00 70.04 H new ATOM 0 HG22 VAL A 81 -2.286 1.759 12.317 1.00 70.04 H new ATOM 0 HG23 VAL A 81 -3.223 2.971 13.223 1.00 70.04 H new ATOM 1324 N ILE A 82 -2.632 6.462 10.283 1.00 51.44 N ATOM 1325 CA ILE A 82 -2.755 7.606 9.350 1.00 13.35 C ATOM 1326 C ILE A 82 -1.384 8.213 8.978 1.00 72.12 C ATOM 1327 O ILE A 82 -1.073 8.330 7.790 1.00 44.24 O ATOM 1328 CB ILE A 82 -3.697 8.722 9.943 1.00 72.11 C ATOM 1329 CG1 ILE A 82 -5.128 8.143 10.167 1.00 64.33 C ATOM 1330 CG2 ILE A 82 -3.740 9.999 9.051 1.00 72.01 C ATOM 1331 CD1 ILE A 82 -6.071 9.062 10.906 1.00 71.33 C ATOM 0 H ILE A 82 -3.060 6.631 11.193 1.00 51.44 H new ATOM 0 HA ILE A 82 -3.200 7.213 8.436 1.00 13.35 H new ATOM 0 HB ILE A 82 -3.283 9.032 10.903 1.00 72.11 H new ATOM 0 HG12 ILE A 82 -5.563 7.901 9.197 1.00 64.33 H new ATOM 0 HG13 ILE A 82 -5.044 7.208 10.721 1.00 64.33 H new ATOM 0 HG21 ILE A 82 -4.403 10.737 9.504 1.00 72.01 H new ATOM 0 HG22 ILE A 82 -2.737 10.417 8.965 1.00 72.01 H new ATOM 0 HG23 ILE A 82 -4.111 9.738 8.060 1.00 72.01 H new ATOM 0 HD11 ILE A 82 -7.041 8.577 11.015 1.00 71.33 H new ATOM 0 HD12 ILE A 82 -5.663 9.285 11.892 1.00 71.33 H new ATOM 0 HD13 ILE A 82 -6.190 9.989 10.345 1.00 71.33 H new ATOM 1343 N GLU A 83 -0.559 8.586 9.984 1.00 54.44 N ATOM 1344 CA GLU A 83 0.749 9.242 9.720 1.00 15.34 C ATOM 1345 C GLU A 83 1.768 8.273 9.061 1.00 3.00 C ATOM 1346 O GLU A 83 2.476 8.664 8.129 1.00 20.23 O ATOM 1347 CB GLU A 83 1.360 9.872 11.007 1.00 71.05 C ATOM 1348 CG GLU A 83 1.668 8.873 12.148 1.00 75.41 C ATOM 1349 CD GLU A 83 2.810 9.326 13.079 1.00 74.42 C ATOM 1350 OE1 GLU A 83 3.992 9.097 12.734 1.00 33.43 O ATOM 1351 OE2 GLU A 83 2.538 9.877 14.166 1.00 43.33 O ATOM 0 H GLU A 83 -0.769 8.448 10.973 1.00 54.44 H new ATOM 0 HA GLU A 83 0.543 10.047 9.014 1.00 15.34 H new ATOM 0 HB2 GLU A 83 2.282 10.387 10.738 1.00 71.05 H new ATOM 0 HB3 GLU A 83 0.672 10.628 11.384 1.00 71.05 H new ATOM 0 HG2 GLU A 83 0.766 8.724 12.741 1.00 75.41 H new ATOM 0 HG3 GLU A 83 1.927 7.908 11.713 1.00 75.41 H new ATOM 1358 N LEU A 84 1.830 7.014 9.551 1.00 62.33 N ATOM 1359 CA LEU A 84 2.707 5.962 8.984 1.00 11.11 C ATOM 1360 C LEU A 84 2.212 5.482 7.598 1.00 40.05 C ATOM 1361 O LEU A 84 3.023 5.154 6.733 1.00 65.05 O ATOM 1362 CB LEU A 84 2.823 4.764 9.979 1.00 73.05 C ATOM 1363 CG LEU A 84 3.678 5.021 11.260 1.00 32.24 C ATOM 1364 CD1 LEU A 84 3.699 3.773 12.168 1.00 15.55 C ATOM 1365 CD2 LEU A 84 5.114 5.482 10.904 1.00 42.53 C ATOM 0 H LEU A 84 1.276 6.699 10.347 1.00 62.33 H new ATOM 0 HA LEU A 84 3.696 6.396 8.837 1.00 11.11 H new ATOM 0 HB2 LEU A 84 1.818 4.475 10.288 1.00 73.05 H new ATOM 0 HB3 LEU A 84 3.249 3.914 9.446 1.00 73.05 H new ATOM 0 HG LEU A 84 3.206 5.832 11.815 1.00 32.24 H new ATOM 0 HD11 LEU A 84 4.301 3.977 13.053 1.00 15.55 H new ATOM 0 HD12 LEU A 84 2.681 3.526 12.470 1.00 15.55 H new ATOM 0 HD13 LEU A 84 4.130 2.933 11.622 1.00 15.55 H new ATOM 0 HD21 LEU A 84 5.679 5.651 11.820 1.00 42.53 H new ATOM 0 HD22 LEU A 84 5.607 4.712 10.310 1.00 42.53 H new ATOM 0 HD23 LEU A 84 5.067 6.408 10.330 1.00 42.53 H new ATOM 1377 N GLY A 85 0.884 5.482 7.401 1.00 13.53 N ATOM 1378 CA GLY A 85 0.272 5.090 6.119 1.00 75.34 C ATOM 1379 C GLY A 85 0.555 6.106 5.009 1.00 33.50 C ATOM 1380 O GLY A 85 0.976 5.745 3.905 1.00 62.14 O ATOM 0 H GLY A 85 0.209 5.751 8.117 1.00 13.53 H new ATOM 0 HA2 GLY A 85 0.652 4.113 5.821 1.00 75.34 H new ATOM 0 HA3 GLY A 85 -0.805 4.987 6.249 1.00 75.34 H new ATOM 1384 N THR A 86 0.357 7.397 5.338 1.00 23.02 N ATOM 1385 CA THR A 86 0.610 8.539 4.426 1.00 50.43 C ATOM 1386 C THR A 86 2.123 8.693 4.130 1.00 30.22 C ATOM 1387 O THR A 86 2.510 9.049 3.020 1.00 54.15 O ATOM 1388 CB THR A 86 0.043 9.864 5.047 1.00 64.45 C ATOM 1389 OG1 THR A 86 -1.364 9.719 5.291 1.00 51.32 O ATOM 1390 CG2 THR A 86 0.261 11.102 4.160 1.00 41.12 C ATOM 0 H THR A 86 0.013 7.684 6.254 1.00 23.02 H new ATOM 0 HA THR A 86 0.099 8.339 3.484 1.00 50.43 H new ATOM 0 HB THR A 86 0.594 10.026 5.973 1.00 64.45 H new ATOM 0 HG1 THR A 86 -1.502 9.231 6.130 1.00 51.32 H new ATOM 0 HG21 THR A 86 -0.156 11.980 4.652 1.00 41.12 H new ATOM 0 HG22 THR A 86 1.329 11.250 3.998 1.00 41.12 H new ATOM 0 HG23 THR A 86 -0.235 10.954 3.201 1.00 41.12 H new ATOM 1398 N LYS A 87 2.963 8.431 5.151 1.00 62.14 N ATOM 1399 CA LYS A 87 4.442 8.356 5.005 1.00 25.42 C ATOM 1400 C LYS A 87 4.874 7.320 3.929 1.00 64.32 C ATOM 1401 O LYS A 87 5.789 7.569 3.137 1.00 73.25 O ATOM 1402 CB LYS A 87 5.069 7.975 6.376 1.00 21.24 C ATOM 1403 CG LYS A 87 6.616 7.914 6.409 1.00 21.30 C ATOM 1404 CD LYS A 87 7.168 7.480 7.794 1.00 11.30 C ATOM 1405 CE LYS A 87 6.811 8.474 8.921 1.00 44.14 C ATOM 1406 NZ LYS A 87 7.378 9.830 8.680 1.00 32.22 N ATOM 0 H LYS A 87 2.641 8.264 6.104 1.00 62.14 H new ATOM 0 HA LYS A 87 4.797 9.333 4.678 1.00 25.42 H new ATOM 0 HB2 LYS A 87 4.736 8.697 7.121 1.00 21.24 H new ATOM 0 HB3 LYS A 87 4.678 7.003 6.677 1.00 21.24 H new ATOM 0 HG2 LYS A 87 6.965 7.216 5.648 1.00 21.30 H new ATOM 0 HG3 LYS A 87 7.020 8.893 6.152 1.00 21.30 H new ATOM 0 HD2 LYS A 87 6.772 6.496 8.045 1.00 11.30 H new ATOM 0 HD3 LYS A 87 8.252 7.381 7.733 1.00 11.30 H new ATOM 0 HE2 LYS A 87 5.727 8.546 9.009 1.00 44.14 H new ATOM 0 HE3 LYS A 87 7.183 8.091 9.871 1.00 44.14 H new ATOM 0 HZ1 LYS A 87 7.199 10.433 9.508 1.00 32.22 H new ATOM 0 HZ2 LYS A 87 8.403 9.754 8.521 1.00 32.22 H new ATOM 0 HZ3 LYS A 87 6.928 10.251 7.842 1.00 32.22 H new ATOM 1420 N HIS A 88 4.200 6.157 3.930 1.00 11.24 N ATOM 1421 CA HIS A 88 4.522 5.029 3.027 1.00 52.25 C ATOM 1422 C HIS A 88 3.976 5.231 1.580 1.00 61.31 C ATOM 1423 O HIS A 88 4.559 4.705 0.626 1.00 11.43 O ATOM 1424 CB HIS A 88 4.003 3.705 3.652 1.00 53.01 C ATOM 1425 CG HIS A 88 4.692 3.323 4.951 1.00 74.51 C ATOM 1426 ND1 HIS A 88 4.099 2.535 5.912 1.00 32.33 N ATOM 1427 CD2 HIS A 88 5.939 3.596 5.425 1.00 41.21 C ATOM 1428 CE1 HIS A 88 4.939 2.338 6.910 1.00 14.01 C ATOM 1429 NE2 HIS A 88 6.066 2.968 6.640 1.00 31.33 N ATOM 0 H HIS A 88 3.416 5.969 4.555 1.00 11.24 H new ATOM 0 HA HIS A 88 5.606 4.982 2.925 1.00 52.25 H new ATOM 0 HB2 HIS A 88 2.932 3.796 3.834 1.00 53.01 H new ATOM 0 HB3 HIS A 88 4.136 2.898 2.931 1.00 53.01 H new ATOM 0 HD2 HIS A 88 6.691 4.197 4.935 1.00 41.21 H new ATOM 0 HE1 HIS A 88 4.738 1.758 7.799 1.00 14.01 H new ATOM 0 HE2 HIS A 88 6.894 2.986 7.235 1.00 31.33 H new ATOM 1438 N PHE A 89 2.849 5.967 1.426 1.00 54.20 N ATOM 1439 CA PHE A 89 2.257 6.273 0.085 1.00 32.43 C ATOM 1440 C PHE A 89 2.597 7.704 -0.424 1.00 4.13 C ATOM 1441 O PHE A 89 3.253 7.858 -1.456 1.00 54.32 O ATOM 1442 CB PHE A 89 0.720 6.038 0.107 1.00 35.24 C ATOM 1443 CG PHE A 89 0.341 4.555 0.194 1.00 11.14 C ATOM 1444 CD1 PHE A 89 0.399 3.746 -0.942 1.00 14.00 C ATOM 1445 CD2 PHE A 89 -0.052 3.968 1.398 1.00 33.44 C ATOM 1446 CE1 PHE A 89 0.079 2.404 -0.876 1.00 25.53 C ATOM 1447 CE2 PHE A 89 -0.375 2.624 1.461 1.00 75.04 C ATOM 1448 CZ PHE A 89 -0.307 1.842 0.323 1.00 74.25 C ATOM 0 H PHE A 89 2.327 6.363 2.208 1.00 54.20 H new ATOM 0 HA PHE A 89 2.714 5.585 -0.626 1.00 32.43 H new ATOM 0 HB2 PHE A 89 0.289 6.568 0.957 1.00 35.24 H new ATOM 0 HB3 PHE A 89 0.280 6.468 -0.793 1.00 35.24 H new ATOM 0 HD1 PHE A 89 0.699 4.176 -1.886 1.00 14.00 H new ATOM 0 HD2 PHE A 89 -0.105 4.571 2.292 1.00 33.44 H new ATOM 0 HE1 PHE A 89 0.131 1.793 -1.765 1.00 25.53 H new ATOM 0 HE2 PHE A 89 -0.680 2.186 2.400 1.00 75.04 H new ATOM 0 HZ PHE A 89 -0.556 0.792 0.373 1.00 74.25 H new ATOM 1458 N LEU A 90 2.139 8.755 0.277 1.00 40.30 N ATOM 1459 CA LEU A 90 2.362 10.160 -0.169 1.00 3.12 C ATOM 1460 C LEU A 90 3.807 10.649 0.120 1.00 65.41 C ATOM 1461 O LEU A 90 4.308 11.544 -0.567 1.00 34.11 O ATOM 1462 CB LEU A 90 1.329 11.112 0.501 1.00 21.22 C ATOM 1463 CG LEU A 90 -0.172 10.870 0.120 1.00 34.34 C ATOM 1464 CD1 LEU A 90 -1.110 11.903 0.790 1.00 74.30 C ATOM 1465 CD2 LEU A 90 -0.359 10.869 -1.410 1.00 64.23 C ATOM 0 H LEU A 90 1.616 8.670 1.148 1.00 40.30 H new ATOM 0 HA LEU A 90 2.223 10.179 -1.250 1.00 3.12 H new ATOM 0 HB2 LEU A 90 1.428 11.021 1.583 1.00 21.22 H new ATOM 0 HB3 LEU A 90 1.589 12.138 0.242 1.00 21.22 H new ATOM 0 HG LEU A 90 -0.448 9.886 0.499 1.00 34.34 H new ATOM 0 HD11 LEU A 90 -2.141 11.700 0.500 1.00 74.30 H new ATOM 0 HD12 LEU A 90 -1.017 11.830 1.874 1.00 74.30 H new ATOM 0 HD13 LEU A 90 -0.834 12.907 0.469 1.00 74.30 H new ATOM 0 HD21 LEU A 90 -1.409 10.699 -1.648 1.00 64.23 H new ATOM 0 HD22 LEU A 90 -0.046 11.831 -1.815 1.00 64.23 H new ATOM 0 HD23 LEU A 90 0.246 10.076 -1.850 1.00 64.23 H new ATOM 1477 N GLY A 91 4.459 10.047 1.138 1.00 15.30 N ATOM 1478 CA GLY A 91 5.755 10.537 1.650 1.00 50.14 C ATOM 1479 C GLY A 91 5.630 11.822 2.484 1.00 70.25 C ATOM 1480 O GLY A 91 6.633 12.475 2.788 1.00 55.43 O ATOM 0 H GLY A 91 4.108 9.220 1.621 1.00 15.30 H new ATOM 0 HA2 GLY A 91 6.215 9.759 2.260 1.00 50.14 H new ATOM 0 HA3 GLY A 91 6.424 10.721 0.810 1.00 50.14 H new ATOM 1484 N ARG A 92 4.382 12.176 2.861 1.00 22.41 N ATOM 1485 CA ARG A 92 4.063 13.407 3.623 1.00 2.52 C ATOM 1486 C ARG A 92 3.562 13.048 5.046 1.00 51.00 C ATOM 1487 O ARG A 92 3.154 11.910 5.309 1.00 11.03 O ATOM 1488 CB ARG A 92 2.958 14.234 2.878 1.00 23.44 C ATOM 1489 CG ARG A 92 2.816 15.702 3.364 1.00 42.33 C ATOM 1490 CD ARG A 92 1.487 16.379 2.957 1.00 31.04 C ATOM 1491 NE ARG A 92 1.355 16.630 1.507 1.00 33.32 N ATOM 1492 CZ ARG A 92 0.610 17.582 0.972 1.00 3.51 C ATOM 1493 NH1 ARG A 92 -0.025 18.441 1.714 1.00 31.51 N ATOM 1494 NH2 ARG A 92 0.524 17.679 -0.309 1.00 1.42 N ATOM 0 H ARG A 92 3.560 11.612 2.644 1.00 22.41 H new ATOM 0 HA ARG A 92 4.971 14.005 3.703 1.00 2.52 H new ATOM 0 HB2 ARG A 92 3.182 14.238 1.811 1.00 23.44 H new ATOM 0 HB3 ARG A 92 2.000 13.729 3.001 1.00 23.44 H new ATOM 0 HG2 ARG A 92 2.904 15.723 4.450 1.00 42.33 H new ATOM 0 HG3 ARG A 92 3.645 16.287 2.966 1.00 42.33 H new ATOM 0 HD2 ARG A 92 0.658 15.751 3.283 1.00 31.04 H new ATOM 0 HD3 ARG A 92 1.397 17.327 3.488 1.00 31.04 H new ATOM 0 HE ARG A 92 1.877 16.025 0.873 1.00 33.32 H new ATOM 0 HH11 ARG A 92 0.046 18.388 2.730 1.00 31.51 H new ATOM 0 HH12 ARG A 92 -0.594 19.167 1.280 1.00 31.51 H new ATOM 0 HH21 ARG A 92 1.029 17.023 -0.905 1.00 1.42 H new ATOM 0 HH22 ARG A 92 -0.049 18.411 -0.728 1.00 1.42 H new ATOM 1508 N ALA A 93 3.641 14.017 5.970 1.00 75.23 N ATOM 1509 CA ALA A 93 2.923 13.965 7.265 1.00 62.34 C ATOM 1510 C ALA A 93 1.467 14.499 7.086 1.00 33.24 C ATOM 1511 O ALA A 93 1.223 15.285 6.159 1.00 73.25 O ATOM 1512 CB ALA A 93 3.705 14.780 8.317 1.00 61.44 C ATOM 0 H ALA A 93 4.202 14.860 5.847 1.00 75.23 H new ATOM 0 HA ALA A 93 2.856 12.935 7.615 1.00 62.34 H new ATOM 0 HB1 ALA A 93 3.179 14.743 9.271 1.00 61.44 H new ATOM 0 HB2 ALA A 93 4.703 14.357 8.437 1.00 61.44 H new ATOM 0 HB3 ALA A 93 3.787 15.816 7.988 1.00 61.44 H new ATOM 1518 N PRO A 94 0.467 14.094 7.949 1.00 71.03 N ATOM 1519 CA PRO A 94 -0.931 14.614 7.844 1.00 5.11 C ATOM 1520 C PRO A 94 -0.995 16.166 7.982 1.00 52.10 C ATOM 1521 O PRO A 94 -0.216 16.763 8.739 1.00 42.54 O ATOM 1522 CB PRO A 94 -1.680 13.885 8.995 1.00 21.32 C ATOM 1523 CG PRO A 94 -0.598 13.440 9.940 1.00 10.20 C ATOM 1524 CD PRO A 94 0.600 13.123 9.070 1.00 35.52 C ATOM 0 HA PRO A 94 -1.378 14.420 6.869 1.00 5.11 H new ATOM 0 HB2 PRO A 94 -2.387 14.550 9.490 1.00 21.32 H new ATOM 0 HB3 PRO A 94 -2.250 13.036 8.619 1.00 21.32 H new ATOM 0 HG2 PRO A 94 -0.362 14.222 10.661 1.00 10.20 H new ATOM 0 HG3 PRO A 94 -0.911 12.565 10.510 1.00 10.20 H new ATOM 0 HD2 PRO A 94 1.537 13.256 9.610 1.00 35.52 H new ATOM 0 HD3 PRO A 94 0.580 12.092 8.716 1.00 35.52 H new ATOM 1532 N ILE A 95 -1.925 16.804 7.239 1.00 22.15 N ATOM 1533 CA ILE A 95 -1.956 18.278 7.068 1.00 24.10 C ATOM 1534 C ILE A 95 -2.411 18.978 8.379 1.00 20.11 C ATOM 1535 O ILE A 95 -1.626 19.684 9.023 1.00 34.04 O ATOM 1536 CB ILE A 95 -2.869 18.712 5.833 1.00 0.41 C ATOM 1537 CG1 ILE A 95 -2.259 18.248 4.456 1.00 41.13 C ATOM 1538 CG2 ILE A 95 -3.116 20.247 5.812 1.00 75.33 C ATOM 1539 CD1 ILE A 95 -2.263 16.751 4.173 1.00 43.03 C ATOM 0 H ILE A 95 -2.672 16.318 6.743 1.00 22.15 H new ATOM 0 HA ILE A 95 -0.940 18.604 6.845 1.00 24.10 H new ATOM 0 HB ILE A 95 -3.826 18.209 5.969 1.00 0.41 H new ATOM 0 HG12 ILE A 95 -2.807 18.746 3.656 1.00 41.13 H new ATOM 0 HG13 ILE A 95 -1.229 18.601 4.405 1.00 41.13 H new ATOM 0 HG21 ILE A 95 -3.741 20.503 4.957 1.00 75.33 H new ATOM 0 HG22 ILE A 95 -3.618 20.547 6.732 1.00 75.33 H new ATOM 0 HG23 ILE A 95 -2.162 20.768 5.733 1.00 75.33 H new ATOM 0 HD11 ILE A 95 -1.817 16.564 3.196 1.00 43.03 H new ATOM 0 HD12 ILE A 95 -1.686 16.234 4.940 1.00 43.03 H new ATOM 0 HD13 ILE A 95 -3.289 16.382 4.180 1.00 43.03 H new ATOM 1551 N ASP A 96 -3.675 18.772 8.769 1.00 15.44 N ATOM 1552 CA ASP A 96 -4.262 19.354 9.996 1.00 22.45 C ATOM 1553 C ASP A 96 -4.873 18.222 10.864 1.00 64.32 C ATOM 1554 O ASP A 96 -4.919 17.062 10.437 1.00 64.02 O ATOM 1555 CB ASP A 96 -5.342 20.395 9.560 1.00 42.02 C ATOM 1556 CG ASP A 96 -5.861 21.291 10.703 1.00 31.14 C ATOM 1557 OD1 ASP A 96 -5.220 22.318 11.004 1.00 42.52 O ATOM 1558 OD2 ASP A 96 -6.893 20.953 11.325 1.00 51.00 O ATOM 0 H ASP A 96 -4.329 18.193 8.242 1.00 15.44 H new ATOM 0 HA ASP A 96 -3.506 19.856 10.599 1.00 22.45 H new ATOM 0 HB2 ASP A 96 -4.923 21.029 8.779 1.00 42.02 H new ATOM 0 HB3 ASP A 96 -6.185 19.863 9.120 1.00 42.02 H new ATOM 1563 N GLN A 97 -5.332 18.565 12.083 1.00 4.10 N ATOM 1564 CA GLN A 97 -6.079 17.629 12.950 1.00 73.33 C ATOM 1565 C GLN A 97 -7.414 17.191 12.281 1.00 72.42 C ATOM 1566 O GLN A 97 -7.858 16.060 12.458 1.00 22.05 O ATOM 1567 CB GLN A 97 -6.348 18.270 14.342 1.00 3.00 C ATOM 1568 CG GLN A 97 -7.011 17.316 15.370 1.00 44.45 C ATOM 1569 CD GLN A 97 -6.165 16.076 15.708 1.00 33.31 C ATOM 1570 OE1 GLN A 97 -4.937 16.116 15.725 1.00 61.43 O ATOM 1571 NE2 GLN A 97 -6.814 14.956 15.960 1.00 61.44 N ATOM 0 H GLN A 97 -5.198 19.489 12.493 1.00 4.10 H new ATOM 0 HA GLN A 97 -5.466 16.739 13.092 1.00 73.33 H new ATOM 0 HB2 GLN A 97 -5.403 18.627 14.753 1.00 3.00 H new ATOM 0 HB3 GLN A 97 -6.988 19.142 14.209 1.00 3.00 H new ATOM 0 HG2 GLN A 97 -7.210 17.869 16.288 1.00 44.45 H new ATOM 0 HG3 GLN A 97 -7.975 16.990 14.979 1.00 44.45 H new ATOM 0 HE21 GLN A 97 -7.834 14.942 15.941 1.00 61.44 H new ATOM 0 HE22 GLN A 97 -6.296 14.104 16.174 1.00 61.44 H new ATOM 1580 N ALA A 98 -8.010 18.094 11.480 1.00 34.10 N ATOM 1581 CA ALA A 98 -9.253 17.823 10.717 1.00 30.22 C ATOM 1582 C ALA A 98 -8.996 16.827 9.554 1.00 3.22 C ATOM 1583 O ALA A 98 -9.852 15.990 9.236 1.00 45.22 O ATOM 1584 CB ALA A 98 -9.830 19.140 10.181 1.00 12.14 C ATOM 0 H ALA A 98 -7.646 19.036 11.340 1.00 34.10 H new ATOM 0 HA ALA A 98 -9.976 17.363 11.390 1.00 30.22 H new ATOM 0 HB1 ALA A 98 -10.743 18.936 9.621 1.00 12.14 H new ATOM 0 HB2 ALA A 98 -10.056 19.804 11.015 1.00 12.14 H new ATOM 0 HB3 ALA A 98 -9.101 19.616 9.525 1.00 12.14 H new ATOM 1590 N GLU A 99 -7.800 16.941 8.938 1.00 34.41 N ATOM 1591 CA GLU A 99 -7.302 15.998 7.901 1.00 61.44 C ATOM 1592 C GLU A 99 -7.183 14.571 8.488 1.00 60.52 C ATOM 1593 O GLU A 99 -7.607 13.584 7.867 1.00 34.33 O ATOM 1594 CB GLU A 99 -5.914 16.476 7.390 1.00 42.14 C ATOM 1595 CG GLU A 99 -5.312 15.676 6.212 1.00 25.54 C ATOM 1596 CD GLU A 99 -6.043 15.904 4.875 1.00 10.10 C ATOM 1597 OE1 GLU A 99 -5.931 17.016 4.316 1.00 42.24 O ATOM 1598 OE2 GLU A 99 -6.730 14.993 4.379 1.00 74.41 O ATOM 0 H GLU A 99 -7.144 17.694 9.145 1.00 34.41 H new ATOM 0 HA GLU A 99 -8.007 15.976 7.070 1.00 61.44 H new ATOM 0 HB2 GLU A 99 -6.000 17.520 7.088 1.00 42.14 H new ATOM 0 HB3 GLU A 99 -5.211 16.442 8.223 1.00 42.14 H new ATOM 0 HG2 GLU A 99 -4.264 15.951 6.095 1.00 25.54 H new ATOM 0 HG3 GLU A 99 -5.338 14.614 6.454 1.00 25.54 H new ATOM 1605 N ILE A 100 -6.608 14.505 9.712 1.00 34.32 N ATOM 1606 CA ILE A 100 -6.524 13.266 10.516 1.00 12.35 C ATOM 1607 C ILE A 100 -7.934 12.686 10.791 1.00 45.11 C ATOM 1608 O ILE A 100 -8.152 11.492 10.616 1.00 5.40 O ATOM 1609 CB ILE A 100 -5.771 13.522 11.885 1.00 54.15 C ATOM 1610 CG1 ILE A 100 -4.289 13.961 11.631 1.00 4.31 C ATOM 1611 CG2 ILE A 100 -5.836 12.290 12.826 1.00 35.10 C ATOM 1612 CD1 ILE A 100 -3.470 14.246 12.889 1.00 11.21 C ATOM 0 H ILE A 100 -6.188 15.314 10.170 1.00 34.32 H new ATOM 0 HA ILE A 100 -5.953 12.540 9.937 1.00 12.35 H new ATOM 0 HB ILE A 100 -6.288 14.337 12.392 1.00 54.15 H new ATOM 0 HG12 ILE A 100 -3.788 13.179 11.060 1.00 4.31 H new ATOM 0 HG13 ILE A 100 -4.294 14.856 11.009 1.00 4.31 H new ATOM 0 HG21 ILE A 100 -5.306 12.512 13.753 1.00 35.10 H new ATOM 0 HG22 ILE A 100 -6.877 12.058 13.050 1.00 35.10 H new ATOM 0 HG23 ILE A 100 -5.370 11.434 12.338 1.00 35.10 H new ATOM 0 HD11 ILE A 100 -2.460 14.542 12.606 1.00 11.21 H new ATOM 0 HD12 ILE A 100 -3.939 15.051 13.454 1.00 11.21 H new ATOM 0 HD13 ILE A 100 -3.426 13.348 13.506 1.00 11.21 H new ATOM 1624 N ARG A 101 -8.896 13.563 11.163 1.00 10.24 N ATOM 1625 CA ARG A 101 -10.283 13.145 11.499 1.00 74.41 C ATOM 1626 C ARG A 101 -10.996 12.502 10.286 1.00 42.15 C ATOM 1627 O ARG A 101 -11.823 11.610 10.466 1.00 73.54 O ATOM 1628 CB ARG A 101 -11.141 14.331 12.015 1.00 43.12 C ATOM 1629 CG ARG A 101 -10.695 14.932 13.368 1.00 64.33 C ATOM 1630 CD ARG A 101 -11.663 16.027 13.863 1.00 41.11 C ATOM 1631 NE ARG A 101 -11.174 16.720 15.071 1.00 73.12 N ATOM 1632 CZ ARG A 101 -11.555 16.483 16.311 1.00 24.24 C ATOM 1633 NH1 ARG A 101 -12.341 15.489 16.610 1.00 2.43 N ATOM 1634 NH2 ARG A 101 -11.119 17.233 17.261 1.00 2.03 N ATOM 0 H ARG A 101 -8.739 14.568 11.239 1.00 10.24 H new ATOM 0 HA ARG A 101 -10.188 12.406 12.294 1.00 74.41 H new ATOM 0 HB2 ARG A 101 -11.128 15.121 11.264 1.00 43.12 H new ATOM 0 HB3 ARG A 101 -12.174 13.997 12.108 1.00 43.12 H new ATOM 0 HG2 ARG A 101 -10.633 14.139 14.114 1.00 64.33 H new ATOM 0 HG3 ARG A 101 -9.695 15.352 13.266 1.00 64.33 H new ATOM 0 HD2 ARG A 101 -11.816 16.757 13.068 1.00 41.11 H new ATOM 0 HD3 ARG A 101 -12.634 15.579 14.075 1.00 41.11 H new ATOM 0 HE ARG A 101 -10.476 17.451 14.934 1.00 73.12 H new ATOM 0 HH11 ARG A 101 -12.680 14.868 15.875 1.00 2.43 H new ATOM 0 HH12 ARG A 101 -12.618 15.332 17.579 1.00 2.43 H new ATOM 0 HH21 ARG A 101 -10.484 18.003 17.052 1.00 2.03 H new ATOM 0 HH22 ARG A 101 -11.408 17.057 18.223 1.00 2.03 H new ATOM 1648 N LYS A 102 -10.683 12.983 9.063 1.00 33.51 N ATOM 1649 CA LYS A 102 -11.295 12.456 7.825 1.00 52.53 C ATOM 1650 C LYS A 102 -10.788 11.030 7.505 1.00 41.53 C ATOM 1651 O LYS A 102 -11.597 10.118 7.334 1.00 15.14 O ATOM 1652 CB LYS A 102 -11.048 13.411 6.626 1.00 12.40 C ATOM 1653 CG LYS A 102 -11.680 12.930 5.291 1.00 42.20 C ATOM 1654 CD LYS A 102 -11.633 13.964 4.132 1.00 73.20 C ATOM 1655 CE LYS A 102 -10.209 14.309 3.650 1.00 70.11 C ATOM 1656 NZ LYS A 102 -9.494 15.194 4.599 1.00 2.31 N ATOM 0 H LYS A 102 -10.011 13.734 8.907 1.00 33.51 H new ATOM 0 HA LYS A 102 -12.370 12.397 7.994 1.00 52.53 H new ATOM 0 HB2 LYS A 102 -11.448 14.395 6.871 1.00 12.40 H new ATOM 0 HB3 LYS A 102 -9.974 13.529 6.485 1.00 12.40 H new ATOM 0 HG2 LYS A 102 -11.168 12.023 4.970 1.00 42.20 H new ATOM 0 HG3 LYS A 102 -12.720 12.660 5.475 1.00 42.20 H new ATOM 0 HD2 LYS A 102 -12.205 13.575 3.290 1.00 73.20 H new ATOM 0 HD3 LYS A 102 -12.126 14.880 4.457 1.00 73.20 H new ATOM 0 HE2 LYS A 102 -9.640 13.389 3.516 1.00 70.11 H new ATOM 0 HE3 LYS A 102 -10.265 14.794 2.676 1.00 70.11 H new ATOM 0 HZ1 LYS A 102 -9.252 16.088 4.125 1.00 2.31 H new ATOM 0 HZ2 LYS A 102 -10.104 15.390 5.418 1.00 2.31 H new ATOM 0 HZ3 LYS A 102 -8.623 14.726 4.921 1.00 2.31 H new ATOM 1670 N TYR A 103 -9.448 10.839 7.453 1.00 3.21 N ATOM 1671 CA TYR A 103 -8.829 9.496 7.240 1.00 74.44 C ATOM 1672 C TYR A 103 -9.229 8.493 8.356 1.00 12.11 C ATOM 1673 O TYR A 103 -9.440 7.306 8.094 1.00 41.32 O ATOM 1674 CB TYR A 103 -7.281 9.612 7.158 1.00 2.05 C ATOM 1675 CG TYR A 103 -6.741 10.431 5.971 1.00 64.00 C ATOM 1676 CD1 TYR A 103 -7.336 10.360 4.706 1.00 73.24 C ATOM 1677 CD2 TYR A 103 -5.630 11.272 6.116 1.00 1.02 C ATOM 1678 CE1 TYR A 103 -6.842 11.092 3.643 1.00 54.01 C ATOM 1679 CE2 TYR A 103 -5.137 12.002 5.053 1.00 61.40 C ATOM 1680 CZ TYR A 103 -5.745 11.910 3.820 1.00 52.43 C ATOM 1681 OH TYR A 103 -5.261 12.651 2.762 1.00 73.41 O ATOM 0 H TYR A 103 -8.770 11.594 7.555 1.00 3.21 H new ATOM 0 HA TYR A 103 -9.208 9.112 6.293 1.00 74.44 H new ATOM 0 HB2 TYR A 103 -6.918 10.061 8.082 1.00 2.05 H new ATOM 0 HB3 TYR A 103 -6.861 8.608 7.105 1.00 2.05 H new ATOM 0 HD1 TYR A 103 -8.195 9.723 4.558 1.00 73.24 H new ATOM 0 HD2 TYR A 103 -5.149 11.351 7.080 1.00 1.02 H new ATOM 0 HE1 TYR A 103 -7.314 11.024 2.674 1.00 54.01 H new ATOM 0 HE2 TYR A 103 -4.278 12.643 5.187 1.00 61.40 H new ATOM 0 HH TYR A 103 -4.486 13.174 3.056 1.00 73.41 H new ATOM 1691 N ASN A 104 -9.331 9.015 9.592 1.00 64.10 N ATOM 1692 CA ASN A 104 -9.774 8.247 10.784 1.00 5.22 C ATOM 1693 C ASN A 104 -11.252 7.806 10.635 1.00 5.51 C ATOM 1694 O ASN A 104 -11.610 6.677 10.975 1.00 15.42 O ATOM 1695 CB ASN A 104 -9.587 9.111 12.065 1.00 42.13 C ATOM 1696 CG ASN A 104 -9.742 8.327 13.368 1.00 30.41 C ATOM 1697 OD1 ASN A 104 -10.844 8.159 13.883 1.00 31.53 O ATOM 1698 ND2 ASN A 104 -8.636 7.859 13.927 1.00 63.20 N ATOM 0 H ASN A 104 -9.108 9.988 9.800 1.00 64.10 H new ATOM 0 HA ASN A 104 -9.163 7.348 10.870 1.00 5.22 H new ATOM 0 HB2 ASN A 104 -8.597 9.567 12.042 1.00 42.13 H new ATOM 0 HB3 ASN A 104 -10.313 9.924 12.053 1.00 42.13 H new ATOM 0 HD21 ASN A 104 -8.687 7.345 14.806 1.00 63.20 H new ATOM 0 HD22 ASN A 104 -7.733 8.013 13.478 1.00 63.20 H new ATOM 1705 N GLN A 105 -12.088 8.721 10.100 1.00 72.43 N ATOM 1706 CA GLN A 105 -13.541 8.492 9.909 1.00 40.14 C ATOM 1707 C GLN A 105 -13.812 7.444 8.803 1.00 14.12 C ATOM 1708 O GLN A 105 -14.643 6.559 8.986 1.00 52.42 O ATOM 1709 CB GLN A 105 -14.271 9.828 9.568 1.00 12.20 C ATOM 1710 CG GLN A 105 -15.816 9.743 9.553 1.00 34.22 C ATOM 1711 CD GLN A 105 -16.420 9.436 10.931 1.00 64.31 C ATOM 1712 OE1 GLN A 105 -16.543 8.164 11.263 1.00 43.54 O flip ATOM 1713 NE2 GLN A 105 -16.749 10.333 11.698 1.00 64.35 N flip ATOM 0 H GLN A 105 -11.777 9.641 9.787 1.00 72.43 H new ATOM 0 HA GLN A 105 -13.934 8.103 10.848 1.00 40.14 H new ATOM 0 HB2 GLN A 105 -13.971 10.584 10.293 1.00 12.20 H new ATOM 0 HB3 GLN A 105 -13.931 10.171 8.591 1.00 12.20 H new ATOM 0 HG2 GLN A 105 -16.221 10.687 9.188 1.00 34.22 H new ATOM 0 HG3 GLN A 105 -16.124 8.970 8.849 1.00 34.22 H new ATOM 0 HE21 GLN A 105 -16.644 11.308 11.417 1.00 64.35 H new ATOM 0 HE22 GLN A 105 -17.128 10.105 12.617 1.00 64.35 H new ATOM 1722 N ILE A 106 -13.081 7.556 7.671 1.00 43.11 N ATOM 1723 CA ILE A 106 -13.183 6.627 6.511 1.00 1.34 C ATOM 1724 C ILE A 106 -12.790 5.188 6.924 1.00 22.05 C ATOM 1725 O ILE A 106 -13.485 4.215 6.611 1.00 54.22 O ATOM 1726 CB ILE A 106 -12.246 7.128 5.334 1.00 50.10 C ATOM 1727 CG1 ILE A 106 -12.720 8.524 4.799 1.00 60.33 C ATOM 1728 CG2 ILE A 106 -12.150 6.096 4.179 1.00 43.14 C ATOM 1729 CD1 ILE A 106 -11.770 9.190 3.807 1.00 74.33 C ATOM 0 H ILE A 106 -12.396 8.299 7.531 1.00 43.11 H new ATOM 0 HA ILE A 106 -14.217 6.616 6.168 1.00 1.34 H new ATOM 0 HB ILE A 106 -11.244 7.238 5.748 1.00 50.10 H new ATOM 0 HG12 ILE A 106 -13.693 8.403 4.322 1.00 60.33 H new ATOM 0 HG13 ILE A 106 -12.862 9.193 5.648 1.00 60.33 H new ATOM 0 HG21 ILE A 106 -11.497 6.485 3.397 1.00 43.14 H new ATOM 0 HG22 ILE A 106 -11.742 5.160 4.560 1.00 43.14 H new ATOM 0 HG23 ILE A 106 -13.143 5.918 3.767 1.00 43.14 H new ATOM 0 HD11 ILE A 106 -12.184 10.149 3.495 1.00 74.33 H new ATOM 0 HD12 ILE A 106 -10.802 9.350 4.282 1.00 74.33 H new ATOM 0 HD13 ILE A 106 -11.645 8.548 2.935 1.00 74.33 H new ATOM 1741 N LEU A 107 -11.657 5.092 7.629 1.00 3.32 N ATOM 1742 CA LEU A 107 -11.151 3.833 8.211 1.00 41.03 C ATOM 1743 C LEU A 107 -12.140 3.228 9.242 1.00 45.11 C ATOM 1744 O LEU A 107 -12.351 2.010 9.268 1.00 12.02 O ATOM 1745 CB LEU A 107 -9.764 4.114 8.847 1.00 71.51 C ATOM 1746 CG LEU A 107 -9.070 2.947 9.622 1.00 3.00 C ATOM 1747 CD1 LEU A 107 -9.043 1.654 8.798 1.00 3.04 C ATOM 1748 CD2 LEU A 107 -7.640 3.346 10.028 1.00 63.32 C ATOM 0 H LEU A 107 -11.055 5.894 7.817 1.00 3.32 H new ATOM 0 HA LEU A 107 -11.051 3.087 7.423 1.00 41.03 H new ATOM 0 HB2 LEU A 107 -9.090 4.437 8.053 1.00 71.51 H new ATOM 0 HB3 LEU A 107 -9.874 4.954 9.533 1.00 71.51 H new ATOM 0 HG LEU A 107 -9.657 2.757 10.520 1.00 3.00 H new ATOM 0 HD11 LEU A 107 -8.553 0.867 9.371 1.00 3.04 H new ATOM 0 HD12 LEU A 107 -10.063 1.350 8.564 1.00 3.04 H new ATOM 0 HD13 LEU A 107 -8.494 1.824 7.872 1.00 3.04 H new ATOM 0 HD21 LEU A 107 -7.171 2.522 10.567 1.00 63.32 H new ATOM 0 HD22 LEU A 107 -7.058 3.573 9.135 1.00 63.32 H new ATOM 0 HD23 LEU A 107 -7.676 4.226 10.671 1.00 63.32 H new ATOM 1760 N ALA A 108 -12.751 4.089 10.067 1.00 51.42 N ATOM 1761 CA ALA A 108 -13.719 3.664 11.102 1.00 14.44 C ATOM 1762 C ALA A 108 -15.029 3.105 10.483 1.00 13.23 C ATOM 1763 O ALA A 108 -15.535 2.060 10.910 1.00 11.21 O ATOM 1764 CB ALA A 108 -14.026 4.837 12.040 1.00 70.05 C ATOM 0 H ALA A 108 -12.593 5.096 10.041 1.00 51.42 H new ATOM 0 HA ALA A 108 -13.263 2.854 11.671 1.00 14.44 H new ATOM 0 HB1 ALA A 108 -14.739 4.518 12.800 1.00 70.05 H new ATOM 0 HB2 ALA A 108 -13.106 5.168 12.522 1.00 70.05 H new ATOM 0 HB3 ALA A 108 -14.451 5.660 11.466 1.00 70.05 H new ATOM 1770 N THR A 109 -15.553 3.810 9.468 1.00 52.34 N ATOM 1771 CA THR A 109 -16.852 3.491 8.841 1.00 70.22 C ATOM 1772 C THR A 109 -16.704 2.411 7.742 1.00 40.21 C ATOM 1773 O THR A 109 -17.219 1.298 7.902 1.00 41.34 O ATOM 1774 CB THR A 109 -17.518 4.783 8.255 1.00 31.21 C ATOM 1775 OG1 THR A 109 -16.602 5.440 7.366 1.00 75.21 O ATOM 1776 CG2 THR A 109 -17.944 5.769 9.359 1.00 22.42 C ATOM 0 H THR A 109 -15.089 4.620 9.056 1.00 52.34 H new ATOM 0 HA THR A 109 -17.500 3.087 9.618 1.00 70.22 H new ATOM 0 HB THR A 109 -18.414 4.472 7.718 1.00 31.21 H new ATOM 0 HG1 THR A 109 -15.939 5.937 7.889 1.00 75.21 H new ATOM 0 HG21 THR A 109 -18.400 6.649 8.905 1.00 22.42 H new ATOM 0 HG22 THR A 109 -18.664 5.287 10.020 1.00 22.42 H new ATOM 0 HG23 THR A 109 -17.069 6.071 9.935 1.00 22.42 H new ATOM 1784 N GLN A 110 -15.991 2.727 6.636 1.00 73.43 N ATOM 1785 CA GLN A 110 -15.780 1.780 5.514 1.00 12.21 C ATOM 1786 C GLN A 110 -14.779 0.665 5.903 1.00 41.50 C ATOM 1787 O GLN A 110 -15.110 -0.530 5.835 1.00 33.33 O ATOM 1788 CB GLN A 110 -15.262 2.526 4.241 1.00 50.32 C ATOM 1789 CG GLN A 110 -16.279 3.425 3.492 1.00 62.41 C ATOM 1790 CD GLN A 110 -16.754 4.648 4.274 1.00 54.24 C ATOM 1791 OE1 GLN A 110 -17.777 4.617 4.947 1.00 11.22 O ATOM 1792 NE2 GLN A 110 -16.006 5.733 4.205 1.00 1.31 N ATOM 0 H GLN A 110 -15.549 3.636 6.496 1.00 73.43 H new ATOM 0 HA GLN A 110 -16.744 1.324 5.291 1.00 12.21 H new ATOM 0 HB2 GLN A 110 -14.413 3.144 4.532 1.00 50.32 H new ATOM 0 HB3 GLN A 110 -14.888 1.780 3.540 1.00 50.32 H new ATOM 0 HG2 GLN A 110 -15.826 3.762 2.559 1.00 62.41 H new ATOM 0 HG3 GLN A 110 -17.147 2.822 3.226 1.00 62.41 H new ATOM 0 HE21 GLN A 110 -15.159 5.733 3.637 1.00 1.31 H new ATOM 0 HE22 GLN A 110 -16.275 6.572 4.719 1.00 1.31 H new ATOM 1801 N GLY A 111 -13.552 1.059 6.316 1.00 63.03 N ATOM 1802 CA GLY A 111 -12.493 0.095 6.623 1.00 73.43 C ATOM 1803 C GLY A 111 -11.144 0.448 6.004 1.00 23.03 C ATOM 1804 O GLY A 111 -10.979 1.506 5.380 1.00 54.53 O ATOM 0 H GLY A 111 -13.281 2.034 6.441 1.00 63.03 H new ATOM 0 HA2 GLY A 111 -12.379 0.026 7.705 1.00 73.43 H new ATOM 0 HA3 GLY A 111 -12.798 -0.890 6.271 1.00 73.43 H new ATOM 1808 N ILE A 112 -10.179 -0.472 6.173 1.00 1.24 N ATOM 1809 CA ILE A 112 -8.762 -0.242 5.824 1.00 13.00 C ATOM 1810 C ILE A 112 -8.516 -0.162 4.291 1.00 75.22 C ATOM 1811 O ILE A 112 -7.643 0.587 3.841 1.00 61.25 O ATOM 1812 CB ILE A 112 -7.842 -1.333 6.500 1.00 63.24 C ATOM 1813 CG1 ILE A 112 -6.347 -0.901 6.468 1.00 14.40 C ATOM 1814 CG2 ILE A 112 -8.038 -2.734 5.864 1.00 2.23 C ATOM 1815 CD1 ILE A 112 -6.018 0.340 7.286 1.00 62.00 C ATOM 0 H ILE A 112 -10.358 -1.400 6.557 1.00 1.24 H new ATOM 0 HA ILE A 112 -8.493 0.737 6.220 1.00 13.00 H new ATOM 0 HB ILE A 112 -8.148 -1.412 7.543 1.00 63.24 H new ATOM 0 HG12 ILE A 112 -5.737 -1.729 6.830 1.00 14.40 H new ATOM 0 HG13 ILE A 112 -6.058 -0.722 5.432 1.00 14.40 H new ATOM 0 HG21 ILE A 112 -7.386 -3.453 6.360 1.00 2.23 H new ATOM 0 HG22 ILE A 112 -9.076 -3.045 5.981 1.00 2.23 H new ATOM 0 HG23 ILE A 112 -7.790 -2.690 4.803 1.00 2.23 H new ATOM 0 HD11 ILE A 112 -4.954 0.560 7.201 1.00 62.00 H new ATOM 0 HD12 ILE A 112 -6.595 1.186 6.912 1.00 62.00 H new ATOM 0 HD13 ILE A 112 -6.269 0.164 8.332 1.00 62.00 H new ATOM 1827 N ARG A 113 -9.319 -0.901 3.494 1.00 41.24 N ATOM 1828 CA ARG A 113 -9.206 -0.883 2.013 1.00 12.10 C ATOM 1829 C ARG A 113 -9.577 0.503 1.434 1.00 2.24 C ATOM 1830 O ARG A 113 -8.984 0.951 0.452 1.00 31.11 O ATOM 1831 CB ARG A 113 -10.080 -1.989 1.363 1.00 35.53 C ATOM 1832 CG ARG A 113 -9.675 -3.435 1.743 1.00 61.21 C ATOM 1833 CD ARG A 113 -10.416 -4.499 0.899 1.00 25.34 C ATOM 1834 NE ARG A 113 -11.886 -4.346 0.962 1.00 32.22 N ATOM 1835 CZ ARG A 113 -12.733 -5.184 1.530 1.00 22.41 C ATOM 1836 NH1 ARG A 113 -12.330 -6.306 2.044 1.00 21.43 N ATOM 1837 NH2 ARG A 113 -13.993 -4.901 1.551 1.00 13.12 N ATOM 0 H ARG A 113 -10.051 -1.517 3.847 1.00 41.24 H new ATOM 0 HA ARG A 113 -8.163 -1.086 1.771 1.00 12.10 H new ATOM 0 HB2 ARG A 113 -11.119 -1.829 1.651 1.00 35.53 H new ATOM 0 HB3 ARG A 113 -10.029 -1.884 0.279 1.00 35.53 H new ATOM 0 HG2 ARG A 113 -8.600 -3.555 1.610 1.00 61.21 H new ATOM 0 HG3 ARG A 113 -9.886 -3.602 2.799 1.00 61.21 H new ATOM 0 HD2 ARG A 113 -10.090 -4.427 -0.139 1.00 25.34 H new ATOM 0 HD3 ARG A 113 -10.142 -5.493 1.251 1.00 25.34 H new ATOM 0 HE ARG A 113 -12.283 -3.514 0.525 1.00 32.22 H new ATOM 0 HH11 ARG A 113 -11.341 -6.555 2.014 1.00 21.43 H new ATOM 0 HH12 ARG A 113 -13.002 -6.939 2.478 1.00 21.43 H new ATOM 0 HH21 ARG A 113 -14.328 -4.034 1.130 1.00 13.12 H new ATOM 0 HH22 ARG A 113 -14.653 -5.544 1.988 1.00 13.12 H new ATOM 1851 N ALA A 114 -10.543 1.177 2.075 1.00 32.11 N ATOM 1852 CA ALA A 114 -10.964 2.544 1.692 1.00 72.01 C ATOM 1853 C ALA A 114 -9.939 3.605 2.160 1.00 73.14 C ATOM 1854 O ALA A 114 -9.774 4.640 1.512 1.00 51.40 O ATOM 1855 CB ALA A 114 -12.348 2.846 2.267 1.00 13.42 C ATOM 0 H ALA A 114 -11.056 0.797 2.871 1.00 32.11 H new ATOM 0 HA ALA A 114 -11.012 2.591 0.604 1.00 72.01 H new ATOM 0 HB1 ALA A 114 -12.649 3.854 1.980 1.00 13.42 H new ATOM 0 HB2 ALA A 114 -13.069 2.127 1.877 1.00 13.42 H new ATOM 0 HB3 ALA A 114 -12.314 2.773 3.354 1.00 13.42 H new ATOM 1861 N PHE A 115 -9.264 3.328 3.295 1.00 54.34 N ATOM 1862 CA PHE A 115 -8.210 4.205 3.858 1.00 24.34 C ATOM 1863 C PHE A 115 -6.979 4.299 2.907 1.00 20.31 C ATOM 1864 O PHE A 115 -6.571 5.405 2.528 1.00 61.15 O ATOM 1865 CB PHE A 115 -7.813 3.690 5.274 1.00 52.11 C ATOM 1866 CG PHE A 115 -6.574 4.358 5.876 1.00 20.40 C ATOM 1867 CD1 PHE A 115 -6.595 5.691 6.285 1.00 14.12 C ATOM 1868 CD2 PHE A 115 -5.383 3.647 6.010 1.00 10.13 C ATOM 1869 CE1 PHE A 115 -5.458 6.280 6.805 1.00 35.25 C ATOM 1870 CE2 PHE A 115 -4.256 4.233 6.531 1.00 52.32 C ATOM 1871 CZ PHE A 115 -4.292 5.550 6.926 1.00 72.22 C ATOM 0 H PHE A 115 -9.433 2.489 3.850 1.00 54.34 H new ATOM 0 HA PHE A 115 -8.602 5.218 3.954 1.00 24.34 H new ATOM 0 HB2 PHE A 115 -8.655 3.842 5.950 1.00 52.11 H new ATOM 0 HB3 PHE A 115 -7.638 2.615 5.219 1.00 52.11 H new ATOM 0 HD1 PHE A 115 -7.505 6.266 6.195 1.00 14.12 H new ATOM 0 HD2 PHE A 115 -5.346 2.614 5.698 1.00 10.13 H new ATOM 0 HE1 PHE A 115 -5.481 7.314 7.117 1.00 35.25 H new ATOM 0 HE2 PHE A 115 -3.345 3.662 6.630 1.00 52.32 H new ATOM 0 HZ PHE A 115 -3.406 6.015 7.332 1.00 72.22 H new ATOM 1881 N ILE A 116 -6.393 3.135 2.541 1.00 2.44 N ATOM 1882 CA ILE A 116 -5.294 3.063 1.536 1.00 52.53 C ATOM 1883 C ILE A 116 -5.748 3.667 0.183 1.00 33.43 C ATOM 1884 O ILE A 116 -5.028 4.477 -0.406 1.00 2.32 O ATOM 1885 CB ILE A 116 -4.732 1.583 1.338 1.00 53.34 C ATOM 1886 CG1 ILE A 116 -3.777 1.167 2.509 1.00 22.34 C ATOM 1887 CG2 ILE A 116 -4.002 1.393 -0.024 1.00 32.24 C ATOM 1888 CD1 ILE A 116 -4.430 0.942 3.849 1.00 52.55 C ATOM 0 H ILE A 116 -6.660 2.229 2.925 1.00 2.44 H new ATOM 0 HA ILE A 116 -4.470 3.658 1.929 1.00 52.53 H new ATOM 0 HB ILE A 116 -5.606 0.932 1.342 1.00 53.34 H new ATOM 0 HG12 ILE A 116 -3.260 0.252 2.221 1.00 22.34 H new ATOM 0 HG13 ILE A 116 -3.017 1.940 2.623 1.00 22.34 H new ATOM 0 HG21 ILE A 116 -3.641 0.368 -0.103 1.00 32.24 H new ATOM 0 HG22 ILE A 116 -4.695 1.598 -0.840 1.00 32.24 H new ATOM 0 HG23 ILE A 116 -3.158 2.080 -0.083 1.00 32.24 H new ATOM 0 HD11 ILE A 116 -3.673 0.659 4.580 1.00 52.55 H new ATOM 0 HD12 ILE A 116 -4.922 1.859 4.173 1.00 52.55 H new ATOM 0 HD13 ILE A 116 -5.168 0.145 3.765 1.00 52.55 H new ATOM 1900 N ASN A 117 -6.971 3.308 -0.265 1.00 30.12 N ATOM 1901 CA ASN A 117 -7.548 3.824 -1.536 1.00 63.54 C ATOM 1902 C ASN A 117 -7.663 5.376 -1.524 1.00 62.04 C ATOM 1903 O ASN A 117 -7.479 6.016 -2.552 1.00 5.22 O ATOM 1904 CB ASN A 117 -8.928 3.168 -1.807 1.00 72.23 C ATOM 1905 CG ASN A 117 -9.543 3.562 -3.156 1.00 41.43 C ATOM 1906 OD1 ASN A 117 -10.290 4.526 -3.258 1.00 22.23 O ATOM 1907 ND2 ASN A 117 -9.223 2.827 -4.205 1.00 10.00 N ATOM 0 H ASN A 117 -7.583 2.661 0.233 1.00 30.12 H new ATOM 0 HA ASN A 117 -6.870 3.556 -2.346 1.00 63.54 H new ATOM 0 HB2 ASN A 117 -8.819 2.084 -1.770 1.00 72.23 H new ATOM 0 HB3 ASN A 117 -9.616 3.446 -1.009 1.00 72.23 H new ATOM 0 HD21 ASN A 117 -9.600 3.058 -5.124 1.00 10.00 H new ATOM 0 HD22 ASN A 117 -8.598 2.028 -4.096 1.00 10.00 H new ATOM 1914 N ALA A 118 -7.941 5.966 -0.343 1.00 55.14 N ATOM 1915 CA ALA A 118 -8.012 7.442 -0.170 1.00 24.33 C ATOM 1916 C ALA A 118 -6.617 8.110 -0.321 1.00 45.32 C ATOM 1917 O ALA A 118 -6.495 9.178 -0.931 1.00 21.22 O ATOM 1918 CB ALA A 118 -8.633 7.786 1.198 1.00 43.53 C ATOM 0 H ALA A 118 -8.122 5.443 0.514 1.00 55.14 H new ATOM 0 HA ALA A 118 -8.648 7.840 -0.961 1.00 24.33 H new ATOM 0 HB1 ALA A 118 -8.680 8.869 1.314 1.00 43.53 H new ATOM 0 HB2 ALA A 118 -9.639 7.371 1.256 1.00 43.53 H new ATOM 0 HB3 ALA A 118 -8.019 7.362 1.993 1.00 43.53 H new ATOM 1924 N LEU A 119 -5.574 7.461 0.243 1.00 62.31 N ATOM 1925 CA LEU A 119 -4.165 7.943 0.159 1.00 73.52 C ATOM 1926 C LEU A 119 -3.602 7.835 -1.284 1.00 51.53 C ATOM 1927 O LEU A 119 -2.836 8.688 -1.734 1.00 33.12 O ATOM 1928 CB LEU A 119 -3.265 7.128 1.129 1.00 45.12 C ATOM 1929 CG LEU A 119 -3.708 7.110 2.629 1.00 13.43 C ATOM 1930 CD1 LEU A 119 -2.792 6.195 3.470 1.00 54.34 C ATOM 1931 CD2 LEU A 119 -3.776 8.538 3.221 1.00 30.22 C ATOM 0 H LEU A 119 -5.677 6.593 0.768 1.00 62.31 H new ATOM 0 HA LEU A 119 -4.162 8.995 0.444 1.00 73.52 H new ATOM 0 HB2 LEU A 119 -3.220 6.099 0.772 1.00 45.12 H new ATOM 0 HB3 LEU A 119 -2.253 7.528 1.075 1.00 45.12 H new ATOM 0 HG LEU A 119 -4.716 6.696 2.667 1.00 13.43 H new ATOM 0 HD11 LEU A 119 -3.124 6.203 4.508 1.00 54.34 H new ATOM 0 HD12 LEU A 119 -2.838 5.178 3.082 1.00 54.34 H new ATOM 0 HD13 LEU A 119 -1.766 6.558 3.415 1.00 54.34 H new ATOM 0 HD21 LEU A 119 -4.087 8.485 4.264 1.00 30.22 H new ATOM 0 HD22 LEU A 119 -2.793 9.005 3.159 1.00 30.22 H new ATOM 0 HD23 LEU A 119 -4.496 9.132 2.657 1.00 30.22 H new ATOM 1943 N VAL A 120 -4.004 6.768 -1.989 1.00 34.10 N ATOM 1944 CA VAL A 120 -3.554 6.470 -3.372 1.00 30.33 C ATOM 1945 C VAL A 120 -4.339 7.306 -4.424 1.00 23.31 C ATOM 1946 O VAL A 120 -3.800 7.682 -5.471 1.00 44.21 O ATOM 1947 CB VAL A 120 -3.690 4.927 -3.664 1.00 51.31 C ATOM 1948 CG1 VAL A 120 -3.273 4.564 -5.101 1.00 15.02 C ATOM 1949 CG2 VAL A 120 -2.858 4.105 -2.660 1.00 52.01 C ATOM 0 H VAL A 120 -4.656 6.077 -1.619 1.00 34.10 H new ATOM 0 HA VAL A 120 -2.505 6.753 -3.455 1.00 30.33 H new ATOM 0 HB VAL A 120 -4.746 4.680 -3.550 1.00 51.31 H new ATOM 0 HG11 VAL A 120 -3.385 3.490 -5.252 1.00 15.02 H new ATOM 0 HG12 VAL A 120 -3.906 5.098 -5.809 1.00 15.02 H new ATOM 0 HG13 VAL A 120 -2.232 4.846 -5.260 1.00 15.02 H new ATOM 0 HG21 VAL A 120 -2.967 3.043 -2.881 1.00 52.01 H new ATOM 0 HG22 VAL A 120 -1.808 4.387 -2.741 1.00 52.01 H new ATOM 0 HG23 VAL A 120 -3.210 4.303 -1.648 1.00 52.01 H new ATOM 1959 N ASN A 121 -5.619 7.597 -4.131 1.00 20.12 N ATOM 1960 CA ASN A 121 -6.473 8.467 -4.984 1.00 41.53 C ATOM 1961 C ASN A 121 -6.411 9.952 -4.546 1.00 63.22 C ATOM 1962 O ASN A 121 -7.133 10.794 -5.096 1.00 14.14 O ATOM 1963 CB ASN A 121 -7.934 7.944 -5.019 1.00 21.02 C ATOM 1964 CG ASN A 121 -8.100 6.737 -5.949 1.00 12.03 C ATOM 1965 OD1 ASN A 121 -8.422 6.895 -7.121 1.00 64.11 O ATOM 1966 ND2 ASN A 121 -7.860 5.535 -5.459 1.00 4.13 N ATOM 0 H ASN A 121 -6.096 7.242 -3.302 1.00 20.12 H new ATOM 0 HA ASN A 121 -6.075 8.422 -5.998 1.00 41.53 H new ATOM 0 HB2 ASN A 121 -8.242 7.668 -4.011 1.00 21.02 H new ATOM 0 HB3 ASN A 121 -8.596 8.745 -5.346 1.00 21.02 H new ATOM 0 HD21 ASN A 121 -7.941 4.714 -6.059 1.00 4.13 H new ATOM 0 HD22 ASN A 121 -7.593 5.427 -4.480 1.00 4.13 H new ATOM 1973 N SER A 122 -5.550 10.264 -3.551 1.00 4.02 N ATOM 1974 CA SER A 122 -5.132 11.647 -3.257 1.00 11.10 C ATOM 1975 C SER A 122 -4.373 12.224 -4.476 1.00 12.14 C ATOM 1976 O SER A 122 -3.457 11.570 -4.992 1.00 1.40 O ATOM 1977 CB SER A 122 -4.230 11.674 -2.002 1.00 43.10 C ATOM 1978 OG SER A 122 -3.844 12.989 -1.657 1.00 5.14 O ATOM 0 H SER A 122 -5.130 9.568 -2.935 1.00 4.02 H new ATOM 0 HA SER A 122 -6.013 12.258 -3.062 1.00 11.10 H new ATOM 0 HB2 SER A 122 -4.760 11.220 -1.165 1.00 43.10 H new ATOM 0 HB3 SER A 122 -3.341 11.070 -2.181 1.00 43.10 H new ATOM 0 HG SER A 122 -3.277 12.964 -0.858 1.00 5.14 H new ATOM 1984 N GLN A 123 -4.775 13.430 -4.935 1.00 0.52 N ATOM 1985 CA GLN A 123 -4.277 14.034 -6.206 1.00 52.13 C ATOM 1986 C GLN A 123 -2.737 14.107 -6.266 1.00 53.13 C ATOM 1987 O GLN A 123 -2.159 13.921 -7.340 1.00 34.43 O ATOM 1988 CB GLN A 123 -4.872 15.450 -6.456 1.00 0.42 C ATOM 1989 CG GLN A 123 -6.420 15.531 -6.572 1.00 5.24 C ATOM 1990 CD GLN A 123 -7.183 15.339 -5.251 1.00 24.21 C ATOM 1991 OE1 GLN A 123 -6.577 15.723 -4.133 1.00 53.11 O flip ATOM 1992 NE2 GLN A 123 -8.311 14.856 -5.231 1.00 53.53 N flip ATOM 0 H GLN A 123 -5.450 14.015 -4.443 1.00 0.52 H new ATOM 0 HA GLN A 123 -4.619 13.365 -6.996 1.00 52.13 H new ATOM 0 HB2 GLN A 123 -4.554 16.104 -5.644 1.00 0.42 H new ATOM 0 HB3 GLN A 123 -4.438 15.847 -7.374 1.00 0.42 H new ATOM 0 HG2 GLN A 123 -6.687 16.501 -6.991 1.00 5.24 H new ATOM 0 HG3 GLN A 123 -6.756 14.774 -7.281 1.00 5.24 H new ATOM 0 HE21 GLN A 123 -8.758 14.568 -6.101 1.00 53.53 H new ATOM 0 HE22 GLN A 123 -8.802 14.743 -4.344 1.00 53.53 H new ATOM 2001 N GLU A 124 -2.090 14.354 -5.101 1.00 2.41 N ATOM 2002 CA GLU A 124 -0.613 14.395 -5.001 1.00 45.02 C ATOM 2003 C GLU A 124 0.031 13.054 -5.460 1.00 31.01 C ATOM 2004 O GLU A 124 1.043 13.059 -6.171 1.00 64.44 O ATOM 2005 CB GLU A 124 -0.139 14.751 -3.560 1.00 64.05 C ATOM 2006 CG GLU A 124 1.400 14.682 -3.364 1.00 15.41 C ATOM 2007 CD GLU A 124 1.891 15.250 -2.024 1.00 65.33 C ATOM 2008 OE1 GLU A 124 1.637 14.631 -0.966 1.00 30.11 O ATOM 2009 OE2 GLU A 124 2.527 16.331 -2.016 1.00 32.24 O ATOM 0 H GLU A 124 -2.570 14.528 -4.218 1.00 2.41 H new ATOM 0 HA GLU A 124 -0.279 15.185 -5.674 1.00 45.02 H new ATOM 0 HB2 GLU A 124 -0.481 15.756 -3.314 1.00 64.05 H new ATOM 0 HB3 GLU A 124 -0.615 14.071 -2.854 1.00 64.05 H new ATOM 0 HG2 GLU A 124 1.719 13.643 -3.444 1.00 15.41 H new ATOM 0 HG3 GLU A 124 1.883 15.227 -4.175 1.00 15.41 H new ATOM 2016 N TYR A 125 -0.578 11.914 -5.057 1.00 3.52 N ATOM 2017 CA TYR A 125 -0.062 10.571 -5.407 1.00 54.44 C ATOM 2018 C TYR A 125 -0.102 10.346 -6.932 1.00 44.43 C ATOM 2019 O TYR A 125 0.927 10.123 -7.539 1.00 13.24 O ATOM 2020 CB TYR A 125 -0.876 9.457 -4.687 1.00 42.30 C ATOM 2021 CG TYR A 125 -0.257 8.047 -4.792 1.00 43.13 C ATOM 2022 CD1 TYR A 125 0.676 7.594 -3.853 1.00 53.34 C ATOM 2023 CD2 TYR A 125 -0.596 7.173 -5.835 1.00 2.22 C ATOM 2024 CE1 TYR A 125 1.241 6.334 -3.954 1.00 42.43 C ATOM 2025 CE2 TYR A 125 -0.032 5.914 -5.933 1.00 52.24 C ATOM 2026 CZ TYR A 125 0.884 5.499 -4.993 1.00 71.23 C ATOM 2027 OH TYR A 125 1.453 4.248 -5.098 1.00 45.43 O ATOM 0 H TYR A 125 -1.426 11.898 -4.490 1.00 3.52 H new ATOM 0 HA TYR A 125 0.974 10.519 -5.072 1.00 54.44 H new ATOM 0 HB2 TYR A 125 -0.975 9.720 -3.634 1.00 42.30 H new ATOM 0 HB3 TYR A 125 -1.882 9.431 -5.105 1.00 42.30 H new ATOM 0 HD1 TYR A 125 0.961 8.239 -3.035 1.00 53.34 H new ATOM 0 HD2 TYR A 125 -1.313 7.490 -6.578 1.00 2.22 H new ATOM 0 HE1 TYR A 125 1.961 6.005 -3.220 1.00 42.43 H new ATOM 0 HE2 TYR A 125 -0.310 5.258 -6.745 1.00 52.24 H new ATOM 0 HH TYR A 125 1.091 3.789 -5.885 1.00 45.43 H new ATOM 2037 N ASN A 126 -1.286 10.485 -7.554 1.00 55.31 N ATOM 2038 CA ASN A 126 -1.460 10.152 -8.992 1.00 45.44 C ATOM 2039 C ASN A 126 -0.659 11.094 -9.940 1.00 14.45 C ATOM 2040 O ASN A 126 -0.151 10.640 -10.973 1.00 73.30 O ATOM 2041 CB ASN A 126 -2.961 10.097 -9.378 1.00 73.03 C ATOM 2042 CG ASN A 126 -3.765 11.304 -8.914 1.00 72.31 C ATOM 2043 OD1 ASN A 126 -4.382 11.277 -7.856 1.00 43.40 O ATOM 2044 ND2 ASN A 126 -3.757 12.375 -9.685 1.00 53.34 N ATOM 0 H ASN A 126 -2.133 10.822 -7.095 1.00 55.31 H new ATOM 0 HA ASN A 126 -1.038 9.157 -9.130 1.00 45.44 H new ATOM 0 HB2 ASN A 126 -3.044 10.013 -10.462 1.00 73.03 H new ATOM 0 HB3 ASN A 126 -3.402 9.195 -8.954 1.00 73.03 H new ATOM 0 HD21 ASN A 126 -4.274 13.209 -9.405 1.00 53.34 H new ATOM 0 HD22 ASN A 126 -3.234 12.369 -10.561 1.00 53.34 H new ATOM 2051 N GLU A 127 -0.558 12.397 -9.597 1.00 60.21 N ATOM 2052 CA GLU A 127 0.254 13.362 -10.397 1.00 41.03 C ATOM 2053 C GLU A 127 1.795 13.140 -10.243 1.00 35.44 C ATOM 2054 O GLU A 127 2.548 13.382 -11.196 1.00 3.32 O ATOM 2055 CB GLU A 127 -0.130 14.835 -10.057 1.00 35.22 C ATOM 2056 CG GLU A 127 0.326 15.329 -8.671 1.00 4.45 C ATOM 2057 CD GLU A 127 -0.116 16.769 -8.350 1.00 54.44 C ATOM 2058 OE1 GLU A 127 0.506 17.724 -8.870 1.00 3.22 O ATOM 2059 OE2 GLU A 127 -1.085 16.957 -7.583 1.00 44.42 O ATOM 0 H GLU A 127 -1.018 12.808 -8.785 1.00 60.21 H new ATOM 0 HA GLU A 127 0.015 13.170 -11.443 1.00 41.03 H new ATOM 0 HB2 GLU A 127 0.297 15.489 -10.817 1.00 35.22 H new ATOM 0 HB3 GLU A 127 -1.213 14.935 -10.122 1.00 35.22 H new ATOM 0 HG2 GLU A 127 -0.070 14.659 -7.908 1.00 4.45 H new ATOM 0 HG3 GLU A 127 1.413 15.271 -8.614 1.00 4.45 H new ATOM 2066 N VAL A 128 2.266 12.693 -9.050 1.00 74.10 N ATOM 2067 CA VAL A 128 3.724 12.482 -8.781 1.00 65.13 C ATOM 2068 C VAL A 128 4.119 10.976 -8.891 1.00 5.42 C ATOM 2069 O VAL A 128 4.906 10.593 -9.763 1.00 62.20 O ATOM 2070 CB VAL A 128 4.126 13.050 -7.360 1.00 33.12 C ATOM 2071 CG1 VAL A 128 5.619 12.804 -7.034 1.00 74.33 C ATOM 2072 CG2 VAL A 128 3.782 14.559 -7.235 1.00 55.22 C ATOM 0 H VAL A 128 1.664 12.471 -8.257 1.00 74.10 H new ATOM 0 HA VAL A 128 4.274 13.031 -9.545 1.00 65.13 H new ATOM 0 HB VAL A 128 3.535 12.501 -6.626 1.00 33.12 H new ATOM 0 HG11 VAL A 128 5.848 13.211 -6.049 1.00 74.33 H new ATOM 0 HG12 VAL A 128 5.821 11.733 -7.040 1.00 74.33 H new ATOM 0 HG13 VAL A 128 6.241 13.295 -7.783 1.00 74.33 H new ATOM 0 HG21 VAL A 128 4.071 14.917 -6.247 1.00 55.22 H new ATOM 0 HG22 VAL A 128 4.323 15.120 -7.997 1.00 55.22 H new ATOM 0 HG23 VAL A 128 2.710 14.700 -7.373 1.00 55.22 H new ATOM 2082 N PHE A 129 3.565 10.132 -8.001 1.00 61.00 N ATOM 2083 CA PHE A 129 3.797 8.660 -8.001 1.00 21.51 C ATOM 2084 C PHE A 129 2.607 7.939 -8.682 1.00 61.41 C ATOM 2085 O PHE A 129 1.827 7.245 -8.026 1.00 13.45 O ATOM 2086 CB PHE A 129 3.985 8.133 -6.548 1.00 22.44 C ATOM 2087 CG PHE A 129 5.086 8.836 -5.757 1.00 15.24 C ATOM 2088 CD1 PHE A 129 6.429 8.625 -6.065 1.00 1.33 C ATOM 2089 CD2 PHE A 129 4.778 9.708 -4.711 1.00 33.22 C ATOM 2090 CE1 PHE A 129 7.426 9.258 -5.353 1.00 64.42 C ATOM 2091 CE2 PHE A 129 5.779 10.339 -4.003 1.00 25.10 C ATOM 2092 CZ PHE A 129 7.104 10.113 -4.326 1.00 53.14 C ATOM 0 H PHE A 129 2.941 10.444 -7.257 1.00 61.00 H new ATOM 0 HA PHE A 129 4.708 8.451 -8.561 1.00 21.51 H new ATOM 0 HB2 PHE A 129 3.043 8.242 -6.011 1.00 22.44 H new ATOM 0 HB3 PHE A 129 4.208 7.067 -6.588 1.00 22.44 H new ATOM 0 HD1 PHE A 129 6.692 7.957 -6.872 1.00 1.33 H new ATOM 0 HD2 PHE A 129 3.745 9.890 -4.454 1.00 33.22 H new ATOM 0 HE1 PHE A 129 8.462 9.082 -5.603 1.00 64.42 H new ATOM 0 HE2 PHE A 129 5.528 11.010 -3.195 1.00 25.10 H new ATOM 0 HZ PHE A 129 7.887 10.609 -3.771 1.00 53.14 H new ATOM 2102 N GLY A 130 2.456 8.158 -10.001 1.00 43.53 N ATOM 2103 CA GLY A 130 1.300 7.643 -10.774 1.00 1.24 C ATOM 2104 C GLY A 130 1.238 6.111 -10.917 1.00 63.14 C ATOM 2105 O GLY A 130 1.833 5.369 -10.127 1.00 3.44 O ATOM 0 H GLY A 130 3.122 8.691 -10.561 1.00 43.53 H new ATOM 0 HA2 GLY A 130 0.382 7.985 -10.296 1.00 1.24 H new ATOM 0 HA3 GLY A 130 1.324 8.084 -11.770 1.00 1.24 H new ATOM 2109 N GLU A 131 0.548 5.624 -11.972 1.00 3.03 N ATOM 2110 CA GLU A 131 0.340 4.165 -12.205 1.00 74.12 C ATOM 2111 C GLU A 131 1.573 3.453 -12.831 1.00 53.35 C ATOM 2112 O GLU A 131 1.461 2.349 -13.385 1.00 11.24 O ATOM 2113 CB GLU A 131 -0.958 3.899 -13.036 1.00 74.00 C ATOM 2114 CG GLU A 131 -1.034 4.537 -14.445 1.00 63.30 C ATOM 2115 CD GLU A 131 -1.520 5.998 -14.440 1.00 4.42 C ATOM 2116 OE1 GLU A 131 -2.744 6.222 -14.311 1.00 52.43 O ATOM 2117 OE2 GLU A 131 -0.686 6.922 -14.523 1.00 40.34 O ATOM 0 H GLU A 131 0.121 6.218 -12.683 1.00 3.03 H new ATOM 0 HA GLU A 131 0.210 3.721 -11.218 1.00 74.12 H new ATOM 0 HB2 GLU A 131 -1.075 2.821 -13.146 1.00 74.00 H new ATOM 0 HB3 GLU A 131 -1.810 4.255 -12.457 1.00 74.00 H new ATOM 0 HG2 GLU A 131 -0.048 4.494 -14.907 1.00 63.30 H new ATOM 0 HG3 GLU A 131 -1.704 3.943 -15.067 1.00 63.30 H new ATOM 2124 N ASP A 132 2.754 4.064 -12.663 1.00 32.32 N ATOM 2125 CA ASP A 132 4.046 3.540 -13.134 1.00 32.32 C ATOM 2126 C ASP A 132 5.128 3.659 -12.024 1.00 61.33 C ATOM 2127 O ASP A 132 5.963 2.769 -11.866 1.00 52.41 O ATOM 2128 CB ASP A 132 4.467 4.302 -14.417 1.00 22.23 C ATOM 2129 CG ASP A 132 4.567 5.824 -14.199 1.00 33.44 C ATOM 2130 OD1 ASP A 132 3.515 6.483 -14.054 1.00 21.43 O ATOM 2131 OD2 ASP A 132 5.691 6.359 -14.145 1.00 34.21 O ATOM 0 H ASP A 132 2.841 4.960 -12.183 1.00 32.32 H new ATOM 0 HA ASP A 132 3.943 2.481 -13.371 1.00 32.32 H new ATOM 0 HB2 ASP A 132 5.430 3.924 -14.759 1.00 22.23 H new ATOM 0 HB3 ASP A 132 3.745 4.099 -15.208 1.00 22.23 H new ATOM 2136 N THR A 133 5.081 4.753 -11.235 1.00 53.14 N ATOM 2137 CA THR A 133 6.133 5.075 -10.231 1.00 1.34 C ATOM 2138 C THR A 133 5.817 4.501 -8.822 1.00 43.32 C ATOM 2139 O THR A 133 4.677 4.568 -8.350 1.00 33.30 O ATOM 2140 CB THR A 133 6.357 6.629 -10.140 1.00 30.44 C ATOM 2141 OG1 THR A 133 6.603 7.177 -11.452 1.00 51.42 O ATOM 2142 CG2 THR A 133 7.544 7.010 -9.229 1.00 43.44 C ATOM 0 H THR A 133 4.324 5.435 -11.270 1.00 53.14 H new ATOM 0 HA THR A 133 7.048 4.595 -10.578 1.00 1.34 H new ATOM 0 HB THR A 133 5.445 7.043 -9.709 1.00 30.44 H new ATOM 0 HG1 THR A 133 6.109 6.659 -12.121 1.00 51.42 H new ATOM 0 HG21 THR A 133 7.650 8.095 -9.205 1.00 43.44 H new ATOM 0 HG22 THR A 133 7.361 6.641 -8.220 1.00 43.44 H new ATOM 0 HG23 THR A 133 8.459 6.564 -9.618 1.00 43.44 H new ATOM 2150 N VAL A 134 6.860 3.936 -8.170 1.00 42.50 N ATOM 2151 CA VAL A 134 6.794 3.442 -6.773 1.00 2.01 C ATOM 2152 C VAL A 134 6.939 4.629 -5.770 1.00 51.22 C ATOM 2153 O VAL A 134 7.836 5.468 -5.948 1.00 32.41 O ATOM 2154 CB VAL A 134 7.927 2.366 -6.513 1.00 55.42 C ATOM 2155 CG1 VAL A 134 7.921 1.837 -5.052 1.00 44.30 C ATOM 2156 CG2 VAL A 134 7.812 1.198 -7.526 1.00 24.13 C ATOM 0 H VAL A 134 7.776 3.809 -8.600 1.00 42.50 H new ATOM 0 HA VAL A 134 5.823 2.970 -6.619 1.00 2.01 H new ATOM 0 HB VAL A 134 8.884 2.866 -6.661 1.00 55.42 H new ATOM 0 HG11 VAL A 134 8.717 1.103 -4.928 1.00 44.30 H new ATOM 0 HG12 VAL A 134 8.082 2.667 -4.364 1.00 44.30 H new ATOM 0 HG13 VAL A 134 6.960 1.370 -4.838 1.00 44.30 H new ATOM 0 HG21 VAL A 134 8.599 0.469 -7.332 1.00 24.13 H new ATOM 0 HG22 VAL A 134 6.839 0.719 -7.420 1.00 24.13 H new ATOM 0 HG23 VAL A 134 7.918 1.584 -8.540 1.00 24.13 H new ATOM 2166 N PRO A 135 6.049 4.737 -4.716 1.00 72.34 N ATOM 2167 CA PRO A 135 6.154 5.795 -3.675 1.00 73.11 C ATOM 2168 C PRO A 135 7.411 5.664 -2.772 1.00 2.32 C ATOM 2169 O PRO A 135 7.371 5.059 -1.690 1.00 22.51 O ATOM 2170 CB PRO A 135 4.844 5.626 -2.865 1.00 70.02 C ATOM 2171 CG PRO A 135 4.459 4.195 -3.063 1.00 62.12 C ATOM 2172 CD PRO A 135 4.851 3.882 -4.486 1.00 71.23 C ATOM 0 HA PRO A 135 6.271 6.784 -4.117 1.00 73.11 H new ATOM 0 HB2 PRO A 135 4.998 5.852 -1.810 1.00 70.02 H new ATOM 0 HB3 PRO A 135 4.066 6.299 -3.225 1.00 70.02 H new ATOM 0 HG2 PRO A 135 4.977 3.545 -2.358 1.00 62.12 H new ATOM 0 HG3 PRO A 135 3.390 4.048 -2.906 1.00 62.12 H new ATOM 0 HD2 PRO A 135 5.082 2.825 -4.615 1.00 71.23 H new ATOM 0 HD3 PRO A 135 4.049 4.120 -5.184 1.00 71.23 H new ATOM 2180 N TYR A 136 8.539 6.215 -3.255 1.00 32.10 N ATOM 2181 CA TYR A 136 9.782 6.316 -2.461 1.00 14.33 C ATOM 2182 C TYR A 136 9.713 7.516 -1.486 1.00 44.25 C ATOM 2183 O TYR A 136 9.003 8.498 -1.747 1.00 22.33 O ATOM 2184 CB TYR A 136 11.044 6.388 -3.377 1.00 73.43 C ATOM 2185 CG TYR A 136 11.024 7.474 -4.476 1.00 32.30 C ATOM 2186 CD1 TYR A 136 11.339 8.811 -4.194 1.00 41.44 C ATOM 2187 CD2 TYR A 136 10.695 7.154 -5.800 1.00 74.41 C ATOM 2188 CE1 TYR A 136 11.321 9.779 -5.183 1.00 13.03 C ATOM 2189 CE2 TYR A 136 10.680 8.119 -6.791 1.00 1.32 C ATOM 2190 CZ TYR A 136 10.992 9.429 -6.479 1.00 21.51 C ATOM 2191 OH TYR A 136 10.972 10.397 -7.467 1.00 64.32 O ATOM 0 H TYR A 136 8.617 6.600 -4.196 1.00 32.10 H new ATOM 0 HA TYR A 136 9.875 5.408 -1.865 1.00 14.33 H new ATOM 0 HB2 TYR A 136 11.917 6.554 -2.746 1.00 73.43 H new ATOM 0 HB3 TYR A 136 11.177 5.418 -3.856 1.00 73.43 H new ATOM 0 HD1 TYR A 136 11.601 9.091 -3.184 1.00 41.44 H new ATOM 0 HD2 TYR A 136 10.448 6.133 -6.052 1.00 74.41 H new ATOM 0 HE1 TYR A 136 11.563 10.804 -4.943 1.00 13.03 H new ATOM 0 HE2 TYR A 136 10.425 7.850 -7.805 1.00 1.32 H new ATOM 0 HH TYR A 136 10.723 9.987 -8.322 1.00 64.32 H new