USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 944 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: B 116 ASN : amide:sc= 0 X(o=0.36,f=0.072) USER MOD Set 1.2: B 117 SER OG : rot 1:sc= 0.357 USER MOD Set 2.1: A 194 ASN : amide:sc= -0.0243 K(o=-0.44,f=-6.7!) USER MOD Set 2.2: A 195 THR OG1 : rot -170:sc= 0.0358 USER MOD Set 2.3: A 198 GLN : amide:sc= -0.448 K(o=-0.44,f=-2.4!) USER MOD Set 3.1: A 163 THR OG1 : rot -100:sc= 0.744 USER MOD Set 3.2: A 166 GLN : amide:sc= 0.845 K(o=1.6,f=-0.91!) USER MOD Single : A 158 GLN : amide:sc= -0.0131 K(o=-0.013,f=-2!) USER MOD Single : A 161 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 165 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 167 GLN : amide:sc= 0.293 K(o=0.29,f=-7.3!) USER MOD Single : A 168 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 171 ASN : amide:sc= -0.0385 K(o=-0.039,f=-0.93) USER MOD Single : A 172 GLN : amide:sc= -2.08! C(o=-2.1!,f=-7!) USER MOD Single : A 173 MET CE :methyl -155:sc= -0.147 (180deg=-1.42) USER MOD Single : A 174 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0133) USER MOD Single : A 180 LYS NZ :NH3+ -162:sc= -0.0201 (180deg=-0.235) USER MOD Single : A 181 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 184 GLN : amide:sc= -0.0502 K(o=-0.05,f=-1.3) USER MOD Single : A 188 ASN : amide:sc= -0.0356 X(o=-0.036,f=-0.036) USER MOD Single : A 192 ASN :FLIP amide:sc= -0.27 F(o=-0.93,f=-0.27) USER MOD Single : A 197 GLN : amide:sc= -0.549 X(o=-0.55,f=-0.34) USER MOD Single : A 200 THR OG1 : rot -94:sc= 1.33 USER MOD Single : A 204 GLN : amide:sc= -0.799 K(o=-0.8,f=-1.7!) USER MOD Single : A 205 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.13) USER MOD Single : A 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 209 THR OG1 : rot -90:sc= 1.21 USER MOD Single : A 211 GLN : amide:sc= -0.826 X(o=-0.83,f=-0.48) USER MOD Single : A 213 MET CE :methyl -171:sc= -0.734 (180deg=-0.861) USER MOD Single : A 217 LYS NZ :NH3+ 156:sc= 1.23 (180deg=1.15) USER MOD Single : A 220 TYR OH : rot 180:sc= 0 USER MOD Single : A 221 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 HIS : no HD1:sc= 0.706 K(o=0.71,f=-3.9!) USER MOD Single : A 224 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 225 GLN : amide:sc= -0.393 X(o=-0.39,f=-0.5) USER MOD Single : A 229 LYS NZ :NH3+ -156:sc= -0.0629 (180deg=-0.406) USER MOD Single : A 233 GLN : amide:sc= -0.287 K(o=-0.29,f=-0.94) USER MOD Single : A 234 GLN : amide:sc= 1.31 K(o=1.3,f=-0.0028) USER MOD Single : A 235 GLN : amide:sc= -0.083 X(o=-0.083,f=-0.36) USER MOD Single : A 236 GLN : amide:sc= 0.101 K(o=0.1,f=-4.3!) USER MOD Single : A 238 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 101 SER OG : rot 8:sc= 0.862 USER MOD Single : B 102 THR OG1 : rot -109:sc= -0.0155 USER MOD Single : B 104 SER OG : rot 64:sc= 1.21 USER MOD Single : B 105 THR OG1 : rot 180:sc= 0 USER MOD Single : B 107 MET CE :methyl 160:sc= -0.0038 (180deg=-0.276) USER MOD Single : B 110 TYR OH : rot 180:sc= 0 USER MOD Single : B 112 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : B 118 LYS NZ :NH3+ -158:sc= -0.265 (180deg=-1.11) USER MOD Single : B 121 THR OG1 : rot 180:sc= 0.0643 USER MOD Single : B 122 SER OG : rot 72:sc= 1.27 USER MOD Single : B 126 ASN : amide:sc= 0 X(o=0,f=-0.0069) USER MOD Single : B 131 THR OG1 : rot 180:sc= 0 USER MOD Single : B 132 THR OG1 : rot 180:sc= 0.119 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 158 -17.096 -5.921 -23.693 1.00 14.62 N ATOM 2 CA GLN A 158 -18.233 -6.601 -23.030 1.00 14.18 C ATOM 3 C GLN A 158 -17.764 -7.420 -21.830 1.00 13.66 C ATOM 4 O GLN A 158 -18.553 -7.745 -20.945 1.00 13.66 O ATOM 5 CB GLN A 158 -18.955 -7.508 -24.027 1.00 14.24 C ATOM 6 CG GLN A 158 -19.856 -6.757 -24.994 1.00 14.52 C ATOM 7 CD GLN A 158 -21.216 -6.449 -24.399 1.00 14.67 C ATOM 8 OE1 GLN A 158 -21.361 -6.294 -23.187 1.00 14.57 O ATOM 9 NE2 GLN A 158 -22.223 -6.345 -25.251 1.00 15.07 N ATOM 0 HA GLN A 158 -18.921 -5.835 -22.672 1.00 14.18 H new ATOM 0 HB2 GLN A 158 -18.214 -8.070 -24.596 1.00 14.24 H new ATOM 0 HB3 GLN A 158 -19.553 -8.235 -23.477 1.00 14.24 H new ATOM 0 HG2 GLN A 158 -19.372 -5.826 -25.288 1.00 14.52 H new ATOM 0 HG3 GLN A 158 -19.985 -7.349 -25.900 1.00 14.52 H new ATOM 0 HE21 GLN A 158 -22.063 -6.480 -26.249 1.00 15.07 H new ATOM 0 HE22 GLN A 158 -23.160 -6.129 -24.910 1.00 15.07 H new ATOM 20 N ARG A 159 -16.477 -7.746 -21.795 1.00 13.39 N ATOM 21 CA ARG A 159 -15.921 -8.531 -20.701 1.00 13.07 C ATOM 22 C ARG A 159 -14.666 -7.858 -20.149 1.00 12.59 C ATOM 23 O ARG A 159 -13.544 -8.187 -20.539 1.00 12.86 O ATOM 24 CB ARG A 159 -15.594 -9.949 -21.180 1.00 13.30 C ATOM 25 CG ARG A 159 -15.628 -10.997 -20.080 1.00 13.64 C ATOM 26 CD ARG A 159 -17.040 -11.505 -19.827 1.00 14.11 C ATOM 27 NE ARG A 159 -17.735 -10.732 -18.800 1.00 14.43 N ATOM 28 CZ ARG A 159 -19.007 -10.923 -18.454 1.00 14.90 C ATOM 29 NH1 ARG A 159 -19.736 -11.857 -19.060 1.00 15.09 N1+ ATOM 30 NH2 ARG A 159 -19.552 -10.179 -17.498 1.00 15.34 N ATOM 0 H ARG A 159 -15.801 -7.479 -22.510 1.00 13.39 H new ATOM 0 HA ARG A 159 -16.662 -8.592 -19.904 1.00 13.07 H new ATOM 0 HB2 ARG A 159 -16.303 -10.231 -21.958 1.00 13.30 H new ATOM 0 HB3 ARG A 159 -14.604 -9.948 -21.636 1.00 13.30 H new ATOM 0 HG2 ARG A 159 -14.985 -11.833 -20.354 1.00 13.64 H new ATOM 0 HG3 ARG A 159 -15.224 -10.572 -19.161 1.00 13.64 H new ATOM 0 HD2 ARG A 159 -17.609 -11.465 -20.756 1.00 14.11 H new ATOM 0 HD3 ARG A 159 -16.998 -12.551 -19.524 1.00 14.11 H new ATOM 0 HE ARG A 159 -17.213 -10.000 -18.318 1.00 14.43 H new ATOM 0 HH11 ARG A 159 -19.321 -12.431 -19.794 1.00 15.09 H new ATOM 0 HH12 ARG A 159 -20.710 -11.999 -18.791 1.00 15.09 H new ATOM 0 HH21 ARG A 159 -18.997 -9.463 -17.030 1.00 15.34 H new ATOM 0 HH22 ARG A 159 -20.526 -10.324 -17.232 1.00 15.34 H new ATOM 44 N ARG A 160 -14.862 -6.896 -19.260 1.00 12.05 N ATOM 45 CA ARG A 160 -13.751 -6.182 -18.655 1.00 11.74 C ATOM 46 C ARG A 160 -13.985 -5.996 -17.161 1.00 11.04 C ATOM 47 O ARG A 160 -14.910 -5.298 -16.749 1.00 10.84 O ATOM 48 CB ARG A 160 -13.555 -4.820 -19.334 1.00 11.99 C ATOM 49 CG ARG A 160 -12.583 -3.897 -18.612 1.00 12.34 C ATOM 50 CD ARG A 160 -11.186 -4.493 -18.554 1.00 12.69 C ATOM 51 NE ARG A 160 -10.366 -3.864 -17.521 1.00 12.85 N ATOM 52 CZ ARG A 160 -9.251 -3.175 -17.765 1.00 13.18 C ATOM 53 NH1 ARG A 160 -8.816 -3.017 -19.007 1.00 13.36 N1+ ATOM 54 NH2 ARG A 160 -8.574 -2.636 -16.765 1.00 13.51 N ATOM 0 H ARG A 160 -15.782 -6.592 -18.942 1.00 12.05 H new ATOM 0 HA ARG A 160 -12.847 -6.775 -18.794 1.00 11.74 H new ATOM 0 HB2 ARG A 160 -13.198 -4.982 -20.351 1.00 11.99 H new ATOM 0 HB3 ARG A 160 -14.522 -4.323 -19.411 1.00 11.99 H new ATOM 0 HG2 ARG A 160 -12.548 -2.934 -19.121 1.00 12.34 H new ATOM 0 HG3 ARG A 160 -12.942 -3.709 -17.600 1.00 12.34 H new ATOM 0 HD2 ARG A 160 -11.256 -5.563 -18.360 1.00 12.69 H new ATOM 0 HD3 ARG A 160 -10.701 -4.376 -19.523 1.00 12.69 H new ATOM 0 HE ARG A 160 -10.666 -3.958 -16.551 1.00 12.85 H new ATOM 0 HH11 ARG A 160 -9.335 -3.424 -19.785 1.00 13.36 H new ATOM 0 HH12 ARG A 160 -7.962 -2.488 -19.185 1.00 13.36 H new ATOM 0 HH21 ARG A 160 -8.905 -2.747 -15.807 1.00 13.51 H new ATOM 0 HH22 ARG A 160 -7.721 -2.109 -16.952 1.00 13.51 H new ATOM 68 N GLN A 161 -13.150 -6.632 -16.355 1.00 10.86 N ATOM 69 CA GLN A 161 -13.257 -6.528 -14.908 1.00 10.36 C ATOM 70 C GLN A 161 -12.302 -5.452 -14.395 1.00 9.86 C ATOM 71 O GLN A 161 -11.392 -5.039 -15.120 1.00 10.18 O ATOM 72 CB GLN A 161 -12.949 -7.882 -14.262 1.00 10.81 C ATOM 73 CG GLN A 161 -13.469 -8.023 -12.838 1.00 11.07 C ATOM 74 CD GLN A 161 -13.897 -9.442 -12.514 1.00 11.46 C ATOM 75 OE1 GLN A 161 -15.062 -9.806 -12.687 1.00 11.66 O ATOM 76 NE2 GLN A 161 -12.962 -10.251 -12.049 1.00 11.77 N ATOM 0 H GLN A 161 -12.388 -7.228 -16.679 1.00 10.86 H new ATOM 0 HA GLN A 161 -14.275 -6.244 -14.640 1.00 10.36 H new ATOM 0 HB2 GLN A 161 -13.382 -8.672 -14.875 1.00 10.81 H new ATOM 0 HB3 GLN A 161 -11.870 -8.035 -14.260 1.00 10.81 H new ATOM 0 HG2 GLN A 161 -12.693 -7.712 -12.139 1.00 11.07 H new ATOM 0 HG3 GLN A 161 -14.315 -7.350 -12.695 1.00 11.07 H new ATOM 0 HE21 GLN A 161 -12.010 -9.909 -11.921 1.00 11.77 H new ATOM 0 HE22 GLN A 161 -13.192 -11.217 -11.818 1.00 11.77 H new ATOM 85 N LEU A 162 -12.539 -4.991 -13.160 1.00 9.29 N ATOM 86 CA LEU A 162 -11.721 -3.965 -12.516 1.00 8.96 C ATOM 87 C LEU A 162 -11.987 -2.591 -13.120 1.00 8.97 C ATOM 88 O LEU A 162 -11.811 -2.371 -14.319 1.00 9.41 O ATOM 89 CB LEU A 162 -10.224 -4.302 -12.593 1.00 8.70 C ATOM 90 CG LEU A 162 -9.791 -5.562 -11.838 1.00 8.71 C ATOM 91 CD1 LEU A 162 -8.293 -5.773 -11.978 1.00 8.87 C ATOM 92 CD2 LEU A 162 -10.177 -5.468 -10.368 1.00 8.59 C ATOM 0 H LEU A 162 -13.309 -5.324 -12.580 1.00 9.29 H new ATOM 0 HA LEU A 162 -12.006 -3.941 -11.464 1.00 8.96 H new ATOM 0 HB2 LEU A 162 -9.949 -4.415 -13.642 1.00 8.70 H new ATOM 0 HB3 LEU A 162 -9.658 -3.455 -12.205 1.00 8.70 H new ATOM 0 HG LEU A 162 -10.307 -6.417 -12.274 1.00 8.71 H new ATOM 0 HD11 LEU A 162 -8.000 -6.672 -11.436 1.00 8.87 H new ATOM 0 HD12 LEU A 162 -8.038 -5.885 -13.032 1.00 8.87 H new ATOM 0 HD13 LEU A 162 -7.764 -4.913 -11.567 1.00 8.87 H new ATOM 0 HD21 LEU A 162 -9.860 -6.373 -9.850 1.00 8.59 H new ATOM 0 HD22 LEU A 162 -9.689 -4.603 -9.918 1.00 8.59 H new ATOM 0 HD23 LEU A 162 -11.258 -5.360 -10.282 1.00 8.59 H new ATOM 104 N THR A 163 -12.438 -1.678 -12.281 1.00 8.60 N ATOM 105 CA THR A 163 -12.730 -0.326 -12.718 1.00 8.65 C ATOM 106 C THR A 163 -11.444 0.487 -12.840 1.00 8.24 C ATOM 107 O THR A 163 -10.544 0.363 -12.008 1.00 7.76 O ATOM 108 CB THR A 163 -13.696 0.383 -11.745 1.00 8.64 C ATOM 109 OG1 THR A 163 -13.013 0.751 -10.540 1.00 8.49 O ATOM 110 CG2 THR A 163 -14.862 -0.520 -11.400 1.00 8.89 C ATOM 0 H THR A 163 -12.611 -1.849 -11.290 1.00 8.60 H new ATOM 0 HA THR A 163 -13.209 -0.395 -13.695 1.00 8.65 H new ATOM 0 HB THR A 163 -14.070 1.281 -12.238 1.00 8.64 H new ATOM 0 HG1 THR A 163 -13.206 0.092 -9.840 1.00 8.49 H new ATOM 0 HG21 THR A 163 -15.532 -0.003 -10.713 1.00 8.89 H new ATOM 0 HG22 THR A 163 -15.404 -0.778 -12.310 1.00 8.89 H new ATOM 0 HG23 THR A 163 -14.491 -1.430 -10.928 1.00 8.89 H new ATOM 118 N PRO A 164 -11.339 1.331 -13.881 1.00 8.51 N ATOM 119 CA PRO A 164 -10.153 2.167 -14.103 1.00 8.32 C ATOM 120 C PRO A 164 -9.934 3.160 -12.965 1.00 7.84 C ATOM 121 O PRO A 164 -8.822 3.635 -12.750 1.00 7.58 O ATOM 122 CB PRO A 164 -10.468 2.905 -15.407 1.00 8.84 C ATOM 123 CG PRO A 164 -11.949 2.832 -15.555 1.00 9.21 C ATOM 124 CD PRO A 164 -12.359 1.532 -14.926 1.00 9.12 C ATOM 0 HA PRO A 164 -9.239 1.575 -14.151 1.00 8.32 H new ATOM 0 HB2 PRO A 164 -10.128 3.940 -15.365 1.00 8.84 H new ATOM 0 HB3 PRO A 164 -9.965 2.438 -16.254 1.00 8.84 H new ATOM 0 HG2 PRO A 164 -12.433 3.675 -15.062 1.00 9.21 H new ATOM 0 HG3 PRO A 164 -12.239 2.867 -16.605 1.00 9.21 H new ATOM 0 HD2 PRO A 164 -13.363 1.587 -14.505 1.00 9.12 H new ATOM 0 HD3 PRO A 164 -12.361 0.717 -15.650 1.00 9.12 H new ATOM 132 N GLN A 165 -11.006 3.463 -12.238 1.00 7.83 N ATOM 133 CA GLN A 165 -10.937 4.394 -11.122 1.00 7.51 C ATOM 134 C GLN A 165 -10.292 3.735 -9.908 1.00 6.97 C ATOM 135 O GLN A 165 -9.399 4.306 -9.284 1.00 6.65 O ATOM 136 CB GLN A 165 -12.335 4.895 -10.764 1.00 7.82 C ATOM 137 CG GLN A 165 -12.336 6.125 -9.875 1.00 8.09 C ATOM 138 CD GLN A 165 -13.715 6.731 -9.738 1.00 8.36 C ATOM 139 OE1 GLN A 165 -14.111 7.585 -10.530 1.00 8.55 O ATOM 140 NE2 GLN A 165 -14.461 6.288 -8.740 1.00 8.64 N ATOM 0 H GLN A 165 -11.934 3.075 -12.405 1.00 7.83 H new ATOM 0 HA GLN A 165 -10.322 5.242 -11.423 1.00 7.51 H new ATOM 0 HB2 GLN A 165 -12.876 5.122 -11.683 1.00 7.82 H new ATOM 0 HB3 GLN A 165 -12.880 4.095 -10.262 1.00 7.82 H new ATOM 0 HG2 GLN A 165 -11.959 5.858 -8.888 1.00 8.09 H new ATOM 0 HG3 GLN A 165 -11.654 6.869 -10.286 1.00 8.09 H new ATOM 0 HE21 GLN A 165 -14.095 5.579 -8.105 1.00 8.64 H new ATOM 0 HE22 GLN A 165 -15.403 6.656 -8.605 1.00 8.64 H new ATOM 149 N GLN A 166 -10.728 2.519 -9.590 1.00 6.95 N ATOM 150 CA GLN A 166 -10.187 1.793 -8.451 1.00 6.50 C ATOM 151 C GLN A 166 -8.753 1.391 -8.731 1.00 6.28 C ATOM 152 O GLN A 166 -7.890 1.449 -7.854 1.00 5.88 O ATOM 153 CB GLN A 166 -11.020 0.542 -8.161 1.00 6.71 C ATOM 154 CG GLN A 166 -12.275 0.800 -7.347 1.00 6.96 C ATOM 155 CD GLN A 166 -13.245 -0.362 -7.403 1.00 7.29 C ATOM 156 OE1 GLN A 166 -13.349 -1.048 -8.423 1.00 7.56 O ATOM 157 NE2 GLN A 166 -13.952 -0.596 -6.312 1.00 7.52 N ATOM 0 H GLN A 166 -11.453 2.019 -10.105 1.00 6.95 H new ATOM 0 HA GLN A 166 -10.221 2.447 -7.579 1.00 6.50 H new ATOM 0 HB2 GLN A 166 -11.304 0.082 -9.107 1.00 6.71 H new ATOM 0 HB3 GLN A 166 -10.398 -0.179 -7.630 1.00 6.71 H new ATOM 0 HG2 GLN A 166 -12.000 0.991 -6.310 1.00 6.96 H new ATOM 0 HG3 GLN A 166 -12.767 1.699 -7.717 1.00 6.96 H new ATOM 0 HE21 GLN A 166 -13.834 -0.003 -5.491 1.00 7.52 H new ATOM 0 HE22 GLN A 166 -14.616 -1.370 -6.291 1.00 7.52 H new ATOM 166 N GLN A 167 -8.504 1.000 -9.969 1.00 6.66 N ATOM 167 CA GLN A 167 -7.173 0.582 -10.380 1.00 6.68 C ATOM 168 C GLN A 167 -6.164 1.724 -10.273 1.00 6.51 C ATOM 169 O GLN A 167 -4.984 1.488 -10.019 1.00 6.41 O ATOM 170 CB GLN A 167 -7.196 0.040 -11.804 1.00 7.28 C ATOM 171 CG GLN A 167 -7.793 -1.348 -11.913 1.00 7.57 C ATOM 172 CD GLN A 167 -7.596 -1.951 -13.286 1.00 8.01 C ATOM 173 OE1 GLN A 167 -8.416 -1.763 -14.183 1.00 8.31 O ATOM 174 NE2 GLN A 167 -6.505 -2.674 -13.460 1.00 8.31 N ATOM 0 H GLN A 167 -9.206 0.963 -10.708 1.00 6.66 H new ATOM 0 HA GLN A 167 -6.858 -0.211 -9.701 1.00 6.68 H new ATOM 0 HB2 GLN A 167 -7.766 0.722 -12.435 1.00 7.28 H new ATOM 0 HB3 GLN A 167 -6.178 0.021 -12.193 1.00 7.28 H new ATOM 0 HG2 GLN A 167 -7.338 -1.997 -11.165 1.00 7.57 H new ATOM 0 HG3 GLN A 167 -8.859 -1.302 -11.688 1.00 7.57 H new ATOM 0 HE21 GLN A 167 -5.851 -2.804 -12.688 1.00 8.31 H new ATOM 0 HE22 GLN A 167 -6.316 -3.102 -14.366 1.00 8.31 H new ATOM 183 N GLN A 168 -6.639 2.952 -10.447 1.00 6.59 N ATOM 184 CA GLN A 168 -5.782 4.130 -10.373 1.00 6.60 C ATOM 185 C GLN A 168 -5.073 4.225 -9.026 1.00 6.15 C ATOM 186 O GLN A 168 -3.912 4.628 -8.948 1.00 6.21 O ATOM 187 CB GLN A 168 -6.605 5.397 -10.607 1.00 6.88 C ATOM 188 CG GLN A 168 -6.758 5.774 -12.073 1.00 7.43 C ATOM 189 CD GLN A 168 -5.525 6.449 -12.634 1.00 7.81 C ATOM 190 OE1 GLN A 168 -4.634 5.800 -13.182 1.00 8.12 O ATOM 191 NE2 GLN A 168 -5.468 7.763 -12.499 1.00 8.10 N ATOM 0 H GLN A 168 -7.619 3.159 -10.641 1.00 6.59 H new ATOM 0 HA GLN A 168 -5.025 4.034 -11.151 1.00 6.60 H new ATOM 0 HB2 GLN A 168 -7.595 5.260 -10.173 1.00 6.88 H new ATOM 0 HB3 GLN A 168 -6.136 6.226 -10.076 1.00 6.88 H new ATOM 0 HG2 GLN A 168 -6.972 4.877 -12.654 1.00 7.43 H new ATOM 0 HG3 GLN A 168 -7.614 6.439 -12.186 1.00 7.43 H new ATOM 0 HE21 GLN A 168 -6.229 8.262 -12.038 1.00 8.10 H new ATOM 0 HE22 GLN A 168 -4.663 8.278 -12.856 1.00 8.10 H new ATOM 200 N LEU A 169 -5.784 3.892 -7.960 1.00 5.81 N ATOM 201 CA LEU A 169 -5.206 3.946 -6.626 1.00 5.44 C ATOM 202 C LEU A 169 -4.471 2.652 -6.283 1.00 5.18 C ATOM 203 O LEU A 169 -3.400 2.680 -5.677 1.00 5.07 O ATOM 204 CB LEU A 169 -6.285 4.252 -5.581 1.00 5.36 C ATOM 205 CG LEU A 169 -7.360 3.176 -5.392 1.00 5.65 C ATOM 206 CD1 LEU A 169 -7.165 2.442 -4.069 1.00 5.76 C ATOM 207 CD2 LEU A 169 -8.752 3.790 -5.464 1.00 5.82 C ATOM 0 H LEU A 169 -6.756 3.583 -7.991 1.00 5.81 H new ATOM 0 HA LEU A 169 -4.475 4.754 -6.613 1.00 5.44 H new ATOM 0 HB2 LEU A 169 -5.796 4.422 -4.622 1.00 5.36 H new ATOM 0 HB3 LEU A 169 -6.777 5.185 -5.858 1.00 5.36 H new ATOM 0 HG LEU A 169 -7.262 2.452 -6.201 1.00 5.65 H new ATOM 0 HD11 LEU A 169 -7.939 1.683 -3.956 1.00 5.76 H new ATOM 0 HD12 LEU A 169 -6.185 1.965 -4.059 1.00 5.76 H new ATOM 0 HD13 LEU A 169 -7.231 3.153 -3.245 1.00 5.76 H new ATOM 0 HD21 LEU A 169 -9.501 3.010 -5.328 1.00 5.82 H new ATOM 0 HD22 LEU A 169 -8.860 4.539 -4.679 1.00 5.82 H new ATOM 0 HD23 LEU A 169 -8.892 4.261 -6.437 1.00 5.82 H new ATOM 219 N VAL A 170 -5.042 1.528 -6.693 1.00 5.20 N ATOM 220 CA VAL A 170 -4.471 0.217 -6.403 1.00 5.06 C ATOM 221 C VAL A 170 -3.120 0.003 -7.088 1.00 5.34 C ATOM 222 O VAL A 170 -2.183 -0.521 -6.482 1.00 5.28 O ATOM 223 CB VAL A 170 -5.444 -0.907 -6.822 1.00 5.24 C ATOM 224 CG1 VAL A 170 -4.784 -2.273 -6.736 1.00 5.25 C ATOM 225 CG2 VAL A 170 -6.701 -0.875 -5.966 1.00 5.42 C ATOM 0 H VAL A 170 -5.907 1.497 -7.232 1.00 5.20 H new ATOM 0 HA VAL A 170 -4.309 0.181 -5.326 1.00 5.06 H new ATOM 0 HB VAL A 170 -5.722 -0.732 -7.861 1.00 5.24 H new ATOM 0 HG11 VAL A 170 -5.496 -3.041 -7.038 1.00 5.25 H new ATOM 0 HG12 VAL A 170 -3.918 -2.301 -7.398 1.00 5.25 H new ATOM 0 HG13 VAL A 170 -4.463 -2.458 -5.711 1.00 5.25 H new ATOM 0 HG21 VAL A 170 -7.373 -1.675 -6.277 1.00 5.42 H new ATOM 0 HG22 VAL A 170 -6.432 -1.014 -4.919 1.00 5.42 H new ATOM 0 HG23 VAL A 170 -7.200 0.086 -6.088 1.00 5.42 H new ATOM 235 N ASN A 171 -3.016 0.433 -8.335 1.00 5.77 N ATOM 236 CA ASN A 171 -1.787 0.254 -9.105 1.00 6.24 C ATOM 237 C ASN A 171 -0.612 1.009 -8.487 1.00 6.25 C ATOM 238 O ASN A 171 0.537 0.576 -8.581 1.00 6.59 O ATOM 239 CB ASN A 171 -1.993 0.718 -10.545 1.00 6.76 C ATOM 240 CG ASN A 171 -0.934 0.175 -11.479 1.00 7.31 C ATOM 241 OD1 ASN A 171 -0.454 -0.950 -11.312 1.00 7.47 O ATOM 242 ND2 ASN A 171 -0.562 0.970 -12.464 1.00 7.80 N ATOM 0 H ASN A 171 -3.765 0.908 -8.839 1.00 5.77 H new ATOM 0 HA ASN A 171 -1.548 -0.809 -9.092 1.00 6.24 H new ATOM 0 HB2 ASN A 171 -2.977 0.400 -10.890 1.00 6.76 H new ATOM 0 HB3 ASN A 171 -1.981 1.807 -10.579 1.00 6.76 H new ATOM 0 HD21 ASN A 171 0.150 0.662 -13.126 1.00 7.80 H new ATOM 0 HD22 ASN A 171 -0.986 1.892 -12.563 1.00 7.80 H new ATOM 249 N GLN A 172 -0.911 2.124 -7.838 1.00 6.00 N ATOM 250 CA GLN A 172 0.110 2.948 -7.211 1.00 6.13 C ATOM 251 C GLN A 172 0.568 2.341 -5.890 1.00 5.80 C ATOM 252 O GLN A 172 1.635 2.681 -5.380 1.00 6.06 O ATOM 253 CB GLN A 172 -0.409 4.373 -6.999 1.00 6.13 C ATOM 254 CG GLN A 172 -0.608 5.154 -8.293 1.00 6.58 C ATOM 255 CD GLN A 172 0.679 5.384 -9.071 1.00 6.95 C ATOM 256 OE1 GLN A 172 1.575 4.540 -9.099 1.00 7.27 O ATOM 257 NE2 GLN A 172 0.783 6.540 -9.704 1.00 7.22 N ATOM 0 H GLN A 172 -1.861 2.481 -7.732 1.00 6.00 H new ATOM 0 HA GLN A 172 0.971 2.988 -7.878 1.00 6.13 H new ATOM 0 HB2 GLN A 172 -1.357 4.328 -6.463 1.00 6.13 H new ATOM 0 HB3 GLN A 172 0.292 4.914 -6.363 1.00 6.13 H new ATOM 0 HG2 GLN A 172 -1.314 4.617 -8.926 1.00 6.58 H new ATOM 0 HG3 GLN A 172 -1.059 6.119 -8.059 1.00 6.58 H new ATOM 0 HE21 GLN A 172 0.021 7.216 -9.659 1.00 7.22 H new ATOM 0 HE22 GLN A 172 1.625 6.756 -10.237 1.00 7.22 H new ATOM 266 N MET A 173 -0.247 1.441 -5.344 1.00 5.33 N ATOM 267 CA MET A 173 0.063 0.786 -4.077 1.00 5.03 C ATOM 268 C MET A 173 0.991 -0.413 -4.275 1.00 5.21 C ATOM 269 O MET A 173 1.219 -1.188 -3.348 1.00 5.01 O ATOM 270 CB MET A 173 -1.222 0.317 -3.385 1.00 4.54 C ATOM 271 CG MET A 173 -2.100 1.445 -2.864 1.00 4.49 C ATOM 272 SD MET A 173 -1.203 2.616 -1.821 1.00 4.57 S ATOM 273 CE MET A 173 -0.583 1.551 -0.520 1.00 4.49 C ATOM 0 H MET A 173 -1.130 1.148 -5.762 1.00 5.33 H new ATOM 0 HA MET A 173 0.571 1.520 -3.452 1.00 5.03 H new ATOM 0 HB2 MET A 173 -1.801 -0.283 -4.087 1.00 4.54 H new ATOM 0 HB3 MET A 173 -0.956 -0.334 -2.553 1.00 4.54 H new ATOM 0 HG2 MET A 173 -2.535 1.979 -3.709 1.00 4.49 H new ATOM 0 HG3 MET A 173 -2.927 1.021 -2.295 1.00 4.49 H new ATOM 0 HE1 MET A 173 -0.414 2.139 0.382 1.00 4.49 H new ATOM 0 HE2 MET A 173 -1.313 0.769 -0.311 1.00 4.49 H new ATOM 0 HE3 MET A 173 0.355 1.096 -0.838 1.00 4.49 H new ATOM 283 N LYS A 174 1.514 -0.580 -5.482 1.00 5.68 N ATOM 284 CA LYS A 174 2.411 -1.694 -5.765 1.00 6.02 C ATOM 285 C LYS A 174 3.862 -1.237 -5.740 1.00 6.49 C ATOM 286 O LYS A 174 4.615 -1.570 -4.823 1.00 6.55 O ATOM 287 CB LYS A 174 2.071 -2.333 -7.111 1.00 6.45 C ATOM 288 CG LYS A 174 0.935 -3.336 -7.017 1.00 6.44 C ATOM 289 CD LYS A 174 0.654 -3.999 -8.353 1.00 6.92 C ATOM 290 CE LYS A 174 -0.439 -5.050 -8.231 1.00 7.15 C ATOM 291 NZ LYS A 174 0.041 -6.280 -7.543 1.00 7.76 N1+ ATOM 0 H LYS A 174 1.335 0.036 -6.275 1.00 5.68 H new ATOM 0 HA LYS A 174 2.276 -2.445 -4.986 1.00 6.02 H new ATOM 0 HB2 LYS A 174 1.801 -1.551 -7.821 1.00 6.45 H new ATOM 0 HB3 LYS A 174 2.957 -2.830 -7.506 1.00 6.45 H new ATOM 0 HG2 LYS A 174 1.184 -4.098 -6.279 1.00 6.44 H new ATOM 0 HG3 LYS A 174 0.035 -2.833 -6.665 1.00 6.44 H new ATOM 0 HD2 LYS A 174 0.355 -3.244 -9.080 1.00 6.92 H new ATOM 0 HD3 LYS A 174 1.566 -4.462 -8.730 1.00 6.92 H new ATOM 0 HE2 LYS A 174 -1.282 -4.633 -7.681 1.00 7.15 H new ATOM 0 HE3 LYS A 174 -0.804 -5.310 -9.225 1.00 7.15 H new ATOM 0 HZ1 LYS A 174 -0.720 -6.988 -7.527 1.00 7.76 H new ATOM 0 HZ2 LYS A 174 0.861 -6.665 -8.053 1.00 7.76 H new ATOM 0 HZ3 LYS A 174 0.318 -6.047 -6.568 1.00 7.76 H new ATOM 305 N VAL A 175 4.255 -0.475 -6.746 1.00 6.90 N ATOM 306 CA VAL A 175 5.614 0.031 -6.812 1.00 7.46 C ATOM 307 C VAL A 175 5.651 1.458 -6.308 1.00 7.44 C ATOM 308 O VAL A 175 5.614 2.422 -7.079 1.00 7.78 O ATOM 309 CB VAL A 175 6.205 -0.032 -8.232 1.00 8.18 C ATOM 310 CG1 VAL A 175 6.806 -1.399 -8.495 1.00 8.62 C ATOM 311 CG2 VAL A 175 5.147 0.303 -9.274 1.00 8.33 C ATOM 0 H VAL A 175 3.657 -0.195 -7.523 1.00 6.90 H new ATOM 0 HA VAL A 175 6.227 -0.612 -6.180 1.00 7.46 H new ATOM 0 HB VAL A 175 6.998 0.712 -8.307 1.00 8.18 H new ATOM 0 HG11 VAL A 175 7.219 -1.427 -9.503 1.00 8.62 H new ATOM 0 HG12 VAL A 175 7.599 -1.593 -7.772 1.00 8.62 H new ATOM 0 HG13 VAL A 175 6.033 -2.161 -8.399 1.00 8.62 H new ATOM 0 HG21 VAL A 175 5.588 0.252 -10.270 1.00 8.33 H new ATOM 0 HG22 VAL A 175 4.327 -0.412 -9.203 1.00 8.33 H new ATOM 0 HG23 VAL A 175 4.767 1.309 -9.096 1.00 8.33 H new ATOM 321 N ALA A 176 5.725 1.579 -5.006 1.00 7.10 N ATOM 322 CA ALA A 176 5.763 2.875 -4.363 1.00 7.14 C ATOM 323 C ALA A 176 6.823 2.896 -3.272 1.00 7.24 C ATOM 324 O ALA A 176 7.069 1.876 -2.623 1.00 6.92 O ATOM 325 CB ALA A 176 4.396 3.212 -3.793 1.00 6.59 C ATOM 0 H ALA A 176 5.761 0.789 -4.362 1.00 7.10 H new ATOM 0 HA ALA A 176 6.025 3.630 -5.104 1.00 7.14 H new ATOM 0 HB1 ALA A 176 4.434 4.189 -3.311 1.00 6.59 H new ATOM 0 HB2 ALA A 176 3.661 3.233 -4.598 1.00 6.59 H new ATOM 0 HB3 ALA A 176 4.111 2.457 -3.061 1.00 6.59 H new ATOM 331 N PRO A 177 7.507 4.031 -3.098 1.00 7.75 N ATOM 332 CA PRO A 177 8.533 4.194 -2.079 1.00 7.96 C ATOM 333 C PRO A 177 7.956 4.596 -0.726 1.00 7.58 C ATOM 334 O PRO A 177 6.944 5.298 -0.647 1.00 7.42 O ATOM 335 CB PRO A 177 9.418 5.316 -2.635 1.00 8.76 C ATOM 336 CG PRO A 177 8.709 5.883 -3.828 1.00 8.86 C ATOM 337 CD PRO A 177 7.339 5.264 -3.874 1.00 8.23 C ATOM 0 HA PRO A 177 9.067 3.262 -1.894 1.00 7.96 H new ATOM 0 HB2 PRO A 177 9.582 6.087 -1.882 1.00 8.76 H new ATOM 0 HB3 PRO A 177 10.398 4.931 -2.916 1.00 8.76 H new ATOM 0 HG2 PRO A 177 8.637 6.968 -3.752 1.00 8.86 H new ATOM 0 HG3 PRO A 177 9.260 5.663 -4.742 1.00 8.86 H new ATOM 0 HD2 PRO A 177 6.586 5.918 -3.434 1.00 8.23 H new ATOM 0 HD3 PRO A 177 7.024 5.057 -4.897 1.00 8.23 H new ATOM 345 N ILE A 178 8.603 4.147 0.334 1.00 7.53 N ATOM 346 CA ILE A 178 8.176 4.470 1.683 1.00 7.29 C ATOM 347 C ILE A 178 8.773 5.805 2.120 1.00 7.90 C ATOM 348 O ILE A 178 9.990 5.997 2.058 1.00 8.45 O ATOM 349 CB ILE A 178 8.585 3.369 2.679 1.00 7.03 C ATOM 350 CG1 ILE A 178 8.018 2.025 2.236 1.00 6.56 C ATOM 351 CG2 ILE A 178 8.112 3.700 4.084 1.00 6.79 C ATOM 352 CD1 ILE A 178 9.080 1.004 1.919 1.00 6.69 C ATOM 0 H ILE A 178 9.431 3.554 0.286 1.00 7.53 H new ATOM 0 HA ILE A 178 7.088 4.542 1.679 1.00 7.29 H new ATOM 0 HB ILE A 178 9.673 3.310 2.693 1.00 7.03 H new ATOM 0 HG12 ILE A 178 7.372 1.634 3.022 1.00 6.56 H new ATOM 0 HG13 ILE A 178 7.394 2.175 1.355 1.00 6.56 H new ATOM 0 HG21 ILE A 178 8.415 2.906 4.766 1.00 6.79 H new ATOM 0 HG22 ILE A 178 8.556 4.642 4.405 1.00 6.79 H new ATOM 0 HG23 ILE A 178 7.026 3.790 4.091 1.00 6.79 H new ATOM 0 HD11 ILE A 178 8.608 0.071 1.611 1.00 6.69 H new ATOM 0 HD12 ILE A 178 9.712 1.375 1.112 1.00 6.69 H new ATOM 0 HD13 ILE A 178 9.690 0.826 2.805 1.00 6.69 H new ATOM 364 N PRO A 179 7.922 6.756 2.537 1.00 7.89 N ATOM 365 CA PRO A 179 8.373 8.074 2.986 1.00 8.51 C ATOM 366 C PRO A 179 9.144 8.004 4.302 1.00 8.75 C ATOM 367 O PRO A 179 9.012 7.036 5.057 1.00 8.38 O ATOM 368 CB PRO A 179 7.072 8.857 3.167 1.00 8.36 C ATOM 369 CG PRO A 179 6.021 7.827 3.373 1.00 7.74 C ATOM 370 CD PRO A 179 6.457 6.622 2.589 1.00 7.36 C ATOM 0 HA PRO A 179 9.062 8.532 2.276 1.00 8.51 H new ATOM 0 HB2 PRO A 179 7.134 9.532 4.021 1.00 8.36 H new ATOM 0 HB3 PRO A 179 6.856 9.470 2.292 1.00 8.36 H new ATOM 0 HG2 PRO A 179 5.914 7.586 4.431 1.00 7.74 H new ATOM 0 HG3 PRO A 179 5.051 8.186 3.028 1.00 7.74 H new ATOM 0 HD2 PRO A 179 6.156 5.695 3.077 1.00 7.36 H new ATOM 0 HD3 PRO A 179 6.019 6.613 1.591 1.00 7.36 H new ATOM 378 N LYS A 180 9.928 9.045 4.575 1.00 9.42 N ATOM 379 CA LYS A 180 10.742 9.122 5.790 1.00 9.77 C ATOM 380 C LYS A 180 9.912 8.883 7.047 1.00 9.52 C ATOM 381 O LYS A 180 10.329 8.150 7.944 1.00 9.52 O ATOM 382 CB LYS A 180 11.427 10.487 5.885 1.00 10.55 C ATOM 383 CG LYS A 180 12.716 10.584 5.087 1.00 10.96 C ATOM 384 CD LYS A 180 13.407 11.918 5.324 1.00 11.55 C ATOM 385 CE LYS A 180 14.845 11.904 4.833 1.00 12.03 C ATOM 386 NZ LYS A 180 15.709 11.019 5.659 1.00 12.47 N1+ ATOM 0 H LYS A 180 10.018 9.857 3.964 1.00 9.42 H new ATOM 0 HA LYS A 180 11.494 8.335 5.725 1.00 9.77 H new ATOM 0 HB2 LYS A 180 10.736 11.255 5.536 1.00 10.55 H new ATOM 0 HB3 LYS A 180 11.642 10.703 6.932 1.00 10.55 H new ATOM 0 HG2 LYS A 180 13.384 9.770 5.368 1.00 10.96 H new ATOM 0 HG3 LYS A 180 12.500 10.466 4.025 1.00 10.96 H new ATOM 0 HD2 LYS A 180 12.856 12.708 4.814 1.00 11.55 H new ATOM 0 HD3 LYS A 180 13.389 12.153 6.388 1.00 11.55 H new ATOM 0 HE2 LYS A 180 14.870 11.569 3.796 1.00 12.03 H new ATOM 0 HE3 LYS A 180 15.244 12.918 4.851 1.00 12.03 H new ATOM 0 HZ1 LYS A 180 16.708 11.261 5.499 1.00 12.47 H new ATOM 0 HZ2 LYS A 180 15.478 11.149 6.665 1.00 12.47 H new ATOM 0 HZ3 LYS A 180 15.546 10.027 5.392 1.00 12.47 H new ATOM 400 N GLN A 181 8.730 9.489 7.093 1.00 9.38 N ATOM 401 CA GLN A 181 7.836 9.356 8.241 1.00 9.25 C ATOM 402 C GLN A 181 7.524 7.895 8.551 1.00 8.64 C ATOM 403 O GLN A 181 7.411 7.508 9.715 1.00 8.66 O ATOM 404 CB GLN A 181 6.528 10.099 7.986 1.00 9.25 C ATOM 405 CG GLN A 181 6.664 11.609 8.013 1.00 9.84 C ATOM 406 CD GLN A 181 5.317 12.302 8.033 1.00 9.79 C ATOM 407 OE1 GLN A 181 4.766 12.574 9.098 1.00 9.75 O ATOM 408 NE2 GLN A 181 4.774 12.586 6.860 1.00 9.99 N ATOM 0 H GLN A 181 8.366 10.080 6.345 1.00 9.38 H new ATOM 0 HA GLN A 181 8.351 9.790 9.098 1.00 9.25 H new ATOM 0 HB2 GLN A 181 6.133 9.797 7.016 1.00 9.25 H new ATOM 0 HB3 GLN A 181 5.797 9.796 8.736 1.00 9.25 H new ATOM 0 HG2 GLN A 181 7.237 11.905 8.892 1.00 9.84 H new ATOM 0 HG3 GLN A 181 7.227 11.938 7.140 1.00 9.84 H new ATOM 0 HE21 GLN A 181 5.264 12.343 5.999 1.00 9.99 H new ATOM 0 HE22 GLN A 181 3.865 13.047 6.817 1.00 9.99 H new ATOM 417 N LEU A 182 7.396 7.085 7.512 1.00 8.14 N ATOM 418 CA LEU A 182 7.073 5.678 7.688 1.00 7.55 C ATOM 419 C LEU A 182 8.327 4.817 7.805 1.00 7.61 C ATOM 420 O LEU A 182 8.285 3.732 8.380 1.00 7.33 O ATOM 421 CB LEU A 182 6.194 5.196 6.536 1.00 6.99 C ATOM 422 CG LEU A 182 4.780 5.780 6.515 1.00 6.82 C ATOM 423 CD1 LEU A 182 3.981 5.205 5.359 1.00 6.67 C ATOM 424 CD2 LEU A 182 4.077 5.513 7.839 1.00 6.66 C ATOM 0 H LEU A 182 7.510 7.376 6.541 1.00 8.14 H new ATOM 0 HA LEU A 182 6.524 5.575 8.624 1.00 7.55 H new ATOM 0 HB2 LEU A 182 6.687 5.442 5.595 1.00 6.99 H new ATOM 0 HB3 LEU A 182 6.122 4.109 6.584 1.00 6.99 H new ATOM 0 HG LEU A 182 4.853 6.858 6.375 1.00 6.82 H new ATOM 0 HD11 LEU A 182 2.978 5.633 5.361 1.00 6.67 H new ATOM 0 HD12 LEU A 182 4.476 5.447 4.419 1.00 6.67 H new ATOM 0 HD13 LEU A 182 3.914 4.122 5.466 1.00 6.67 H new ATOM 0 HD21 LEU A 182 3.072 5.934 7.809 1.00 6.66 H new ATOM 0 HD22 LEU A 182 4.015 4.438 8.008 1.00 6.66 H new ATOM 0 HD23 LEU A 182 4.640 5.975 8.650 1.00 6.66 H new ATOM 436 N LEU A 183 9.439 5.302 7.269 1.00 8.04 N ATOM 437 CA LEU A 183 10.700 4.570 7.343 1.00 8.24 C ATOM 438 C LEU A 183 11.163 4.470 8.794 1.00 8.55 C ATOM 439 O LEU A 183 11.782 3.491 9.200 1.00 8.54 O ATOM 440 CB LEU A 183 11.776 5.263 6.499 1.00 8.80 C ATOM 441 CG LEU A 183 11.629 5.100 4.985 1.00 8.62 C ATOM 442 CD1 LEU A 183 12.642 5.971 4.255 1.00 9.31 C ATOM 443 CD2 LEU A 183 11.801 3.642 4.589 1.00 8.25 C ATOM 0 H LEU A 183 9.496 6.195 6.780 1.00 8.04 H new ATOM 0 HA LEU A 183 10.540 3.567 6.948 1.00 8.24 H new ATOM 0 HB2 LEU A 183 11.769 6.327 6.735 1.00 8.80 H new ATOM 0 HB3 LEU A 183 12.751 4.877 6.796 1.00 8.80 H new ATOM 0 HG LEU A 183 10.627 5.421 4.699 1.00 8.62 H new ATOM 0 HD11 LEU A 183 12.524 5.843 3.179 1.00 9.31 H new ATOM 0 HD12 LEU A 183 12.478 7.016 4.516 1.00 9.31 H new ATOM 0 HD13 LEU A 183 13.651 5.678 4.546 1.00 9.31 H new ATOM 0 HD21 LEU A 183 11.693 3.543 3.509 1.00 8.25 H new ATOM 0 HD22 LEU A 183 12.791 3.298 4.888 1.00 8.25 H new ATOM 0 HD23 LEU A 183 11.042 3.038 5.086 1.00 8.25 H new ATOM 455 N GLN A 184 10.811 5.483 9.575 1.00 8.87 N ATOM 456 CA GLN A 184 11.175 5.549 10.984 1.00 9.25 C ATOM 457 C GLN A 184 10.297 4.636 11.838 1.00 8.85 C ATOM 458 O GLN A 184 10.494 4.537 13.050 1.00 9.14 O ATOM 459 CB GLN A 184 11.053 6.987 11.485 1.00 9.76 C ATOM 460 CG GLN A 184 11.973 7.957 10.762 1.00 10.33 C ATOM 461 CD GLN A 184 11.611 9.402 11.025 1.00 10.90 C ATOM 462 OE1 GLN A 184 10.442 9.736 11.228 1.00 11.17 O ATOM 463 NE2 GLN A 184 12.607 10.268 11.025 1.00 11.29 N ATOM 0 H GLN A 184 10.266 6.281 9.250 1.00 8.87 H new ATOM 0 HA GLN A 184 12.206 5.209 11.076 1.00 9.25 H new ATOM 0 HB2 GLN A 184 10.022 7.319 11.367 1.00 9.76 H new ATOM 0 HB3 GLN A 184 11.276 7.013 12.552 1.00 9.76 H new ATOM 0 HG2 GLN A 184 13.002 7.780 11.076 1.00 10.33 H new ATOM 0 HG3 GLN A 184 11.930 7.764 9.690 1.00 10.33 H new ATOM 0 HE21 GLN A 184 13.560 9.949 10.852 1.00 11.29 H new ATOM 0 HE22 GLN A 184 12.423 11.256 11.198 1.00 11.29 H new ATOM 472 N ARG A 185 9.324 3.981 11.209 1.00 8.24 N ATOM 473 CA ARG A 185 8.418 3.088 11.924 1.00 7.89 C ATOM 474 C ARG A 185 9.083 1.755 12.234 1.00 7.66 C ATOM 475 O ARG A 185 8.726 1.088 13.202 1.00 7.54 O ATOM 476 CB ARG A 185 7.143 2.843 11.114 1.00 7.40 C ATOM 477 CG ARG A 185 6.131 3.980 11.181 1.00 7.66 C ATOM 478 CD ARG A 185 5.457 4.050 12.544 1.00 7.53 C ATOM 479 NE ARG A 185 6.303 4.707 13.543 1.00 7.91 N ATOM 480 CZ ARG A 185 6.258 4.450 14.852 1.00 8.28 C ATOM 481 NH1 ARG A 185 5.372 3.589 15.339 1.00 8.35 N1+ ATOM 482 NH2 ARG A 185 7.088 5.072 15.677 1.00 8.81 N ATOM 0 H ARG A 185 9.144 4.052 10.208 1.00 8.24 H new ATOM 0 HA ARG A 185 8.159 3.577 12.863 1.00 7.89 H new ATOM 0 HB2 ARG A 185 7.415 2.675 10.072 1.00 7.40 H new ATOM 0 HB3 ARG A 185 6.669 1.929 11.471 1.00 7.40 H new ATOM 0 HG2 ARG A 185 6.631 4.926 10.973 1.00 7.66 H new ATOM 0 HG3 ARG A 185 5.376 3.842 10.407 1.00 7.66 H new ATOM 0 HD2 ARG A 185 4.515 4.591 12.455 1.00 7.53 H new ATOM 0 HD3 ARG A 185 5.215 3.042 12.881 1.00 7.53 H new ATOM 0 HE ARG A 185 6.970 5.407 13.217 1.00 7.91 H new ATOM 0 HH11 ARG A 185 4.720 3.119 14.712 1.00 8.35 H new ATOM 0 HH12 ARG A 185 5.344 3.398 16.341 1.00 8.35 H new ATOM 0 HH21 ARG A 185 7.760 5.746 15.311 1.00 8.81 H new ATOM 0 HH22 ARG A 185 7.054 4.876 16.678 1.00 8.81 H new ATOM 496 N ILE A 186 10.049 1.371 11.414 1.00 7.69 N ATOM 497 CA ILE A 186 10.750 0.110 11.604 1.00 7.57 C ATOM 498 C ILE A 186 12.180 0.369 12.067 1.00 8.20 C ATOM 499 O ILE A 186 13.050 0.700 11.264 1.00 8.43 O ATOM 500 CB ILE A 186 10.767 -0.732 10.309 1.00 7.11 C ATOM 501 CG1 ILE A 186 9.359 -0.808 9.707 1.00 6.84 C ATOM 502 CG2 ILE A 186 11.300 -2.134 10.586 1.00 6.83 C ATOM 503 CD1 ILE A 186 9.306 -1.503 8.363 1.00 6.52 C ATOM 0 H ILE A 186 10.366 1.914 10.611 1.00 7.69 H new ATOM 0 HA ILE A 186 10.214 -0.454 12.368 1.00 7.57 H new ATOM 0 HB ILE A 186 11.430 -0.248 9.592 1.00 7.11 H new ATOM 0 HG12 ILE A 186 8.704 -1.333 10.403 1.00 6.84 H new ATOM 0 HG13 ILE A 186 8.965 0.203 9.599 1.00 6.84 H new ATOM 0 HG21 ILE A 186 11.304 -2.711 9.661 1.00 6.83 H new ATOM 0 HG22 ILE A 186 12.316 -2.067 10.976 1.00 6.83 H new ATOM 0 HG23 ILE A 186 10.662 -2.628 11.319 1.00 6.83 H new ATOM 0 HD11 ILE A 186 8.278 -1.518 8.001 1.00 6.52 H new ATOM 0 HD12 ILE A 186 9.933 -0.967 7.651 1.00 6.52 H new ATOM 0 HD13 ILE A 186 9.668 -2.526 8.468 1.00 6.52 H new ATOM 515 N PRO A 187 12.434 0.241 13.379 1.00 8.55 N ATOM 516 CA PRO A 187 13.747 0.459 13.956 1.00 9.18 C ATOM 517 C PRO A 187 14.578 -0.825 14.021 1.00 9.19 C ATOM 518 O PRO A 187 14.058 -1.924 13.798 1.00 8.73 O ATOM 519 CB PRO A 187 13.413 0.966 15.360 1.00 9.56 C ATOM 520 CG PRO A 187 12.039 0.455 15.678 1.00 9.11 C ATOM 521 CD PRO A 187 11.460 -0.131 14.412 1.00 8.45 C ATOM 0 HA PRO A 187 14.354 1.147 13.368 1.00 9.18 H new ATOM 0 HB2 PRO A 187 14.140 0.604 16.087 1.00 9.56 H new ATOM 0 HB3 PRO A 187 13.441 2.055 15.397 1.00 9.56 H new ATOM 0 HG2 PRO A 187 12.084 -0.300 16.463 1.00 9.11 H new ATOM 0 HG3 PRO A 187 11.408 1.262 16.049 1.00 9.11 H new ATOM 0 HD2 PRO A 187 11.348 -1.213 14.486 1.00 8.45 H new ATOM 0 HD3 PRO A 187 10.473 0.277 14.197 1.00 8.45 H new ATOM 529 N ASN A 188 15.874 -0.655 14.298 1.00 9.77 N ATOM 530 CA ASN A 188 16.845 -1.757 14.413 1.00 9.94 C ATOM 531 C ASN A 188 17.213 -2.342 13.047 1.00 9.83 C ATOM 532 O ASN A 188 18.273 -2.947 12.886 1.00 9.99 O ATOM 533 CB ASN A 188 16.305 -2.863 15.333 1.00 9.66 C ATOM 534 CG ASN A 188 17.255 -4.041 15.471 1.00 9.91 C ATOM 535 OD1 ASN A 188 18.443 -3.873 15.751 1.00 10.35 O ATOM 536 ND2 ASN A 188 16.734 -5.241 15.264 1.00 9.83 N ATOM 0 H ASN A 188 16.288 0.264 14.452 1.00 9.77 H new ATOM 0 HA ASN A 188 17.752 -1.340 14.851 1.00 9.94 H new ATOM 0 HB2 ASN A 188 16.110 -2.443 16.320 1.00 9.66 H new ATOM 0 HB3 ASN A 188 15.351 -3.217 14.944 1.00 9.66 H new ATOM 0 HD21 ASN A 188 17.322 -6.071 15.334 1.00 9.83 H new ATOM 0 HD22 ASN A 188 15.745 -5.335 15.034 1.00 9.83 H new ATOM 543 N ILE A 189 16.367 -2.128 12.050 1.00 9.66 N ATOM 544 CA ILE A 189 16.631 -2.644 10.714 1.00 9.64 C ATOM 545 C ILE A 189 16.525 -1.526 9.690 1.00 9.96 C ATOM 546 O ILE A 189 15.473 -0.903 9.557 1.00 9.97 O ATOM 547 CB ILE A 189 15.641 -3.765 10.323 1.00 9.24 C ATOM 548 CG1 ILE A 189 15.508 -4.781 11.457 1.00 9.23 C ATOM 549 CG2 ILE A 189 16.102 -4.459 9.042 1.00 9.06 C ATOM 550 CD1 ILE A 189 14.428 -5.816 11.227 1.00 9.09 C ATOM 0 H ILE A 189 15.497 -1.604 12.139 1.00 9.66 H new ATOM 0 HA ILE A 189 17.640 -3.057 10.725 1.00 9.64 H new ATOM 0 HB ILE A 189 14.664 -3.315 10.144 1.00 9.24 H new ATOM 0 HG12 ILE A 189 16.463 -5.289 11.590 1.00 9.23 H new ATOM 0 HG13 ILE A 189 15.297 -4.250 12.385 1.00 9.23 H new ATOM 0 HG21 ILE A 189 15.395 -5.246 8.780 1.00 9.06 H new ATOM 0 HG22 ILE A 189 16.152 -3.731 8.232 1.00 9.06 H new ATOM 0 HG23 ILE A 189 17.088 -4.896 9.199 1.00 9.06 H new ATOM 0 HD11 ILE A 189 14.394 -6.501 12.074 1.00 9.09 H new ATOM 0 HD12 ILE A 189 13.464 -5.319 11.124 1.00 9.09 H new ATOM 0 HD13 ILE A 189 14.647 -6.375 10.317 1.00 9.09 H new ATOM 562 N PRO A 190 17.609 -1.250 8.955 1.00 10.38 N ATOM 563 CA PRO A 190 17.625 -0.217 7.935 1.00 10.85 C ATOM 564 C PRO A 190 17.294 -0.774 6.553 1.00 10.73 C ATOM 565 O PRO A 190 18.043 -1.589 6.010 1.00 11.03 O ATOM 566 CB PRO A 190 19.076 0.277 7.965 1.00 11.43 C ATOM 567 CG PRO A 190 19.867 -0.751 8.720 1.00 11.22 C ATOM 568 CD PRO A 190 18.927 -1.880 9.066 1.00 10.57 C ATOM 0 HA PRO A 190 16.885 0.560 8.124 1.00 10.85 H new ATOM 0 HB2 PRO A 190 19.464 0.398 6.954 1.00 11.43 H new ATOM 0 HB3 PRO A 190 19.143 1.250 8.451 1.00 11.43 H new ATOM 0 HG2 PRO A 190 20.698 -1.115 8.116 1.00 11.22 H new ATOM 0 HG3 PRO A 190 20.295 -0.318 9.624 1.00 11.22 H new ATOM 0 HD2 PRO A 190 19.033 -2.720 8.379 1.00 10.57 H new ATOM 0 HD3 PRO A 190 19.108 -2.264 10.070 1.00 10.57 H new ATOM 576 N PRO A 191 16.154 -0.369 5.978 1.00 10.37 N ATOM 577 CA PRO A 191 15.750 -0.815 4.644 1.00 10.30 C ATOM 578 C PRO A 191 16.801 -0.457 3.579 1.00 10.68 C ATOM 579 O PRO A 191 17.123 -1.269 2.708 1.00 10.94 O ATOM 580 CB PRO A 191 14.432 -0.062 4.387 1.00 9.89 C ATOM 581 CG PRO A 191 14.364 1.015 5.417 1.00 9.82 C ATOM 582 CD PRO A 191 15.161 0.530 6.590 1.00 10.13 C ATOM 0 HA PRO A 191 15.641 -1.898 4.589 1.00 10.30 H new ATOM 0 HB2 PRO A 191 14.413 0.358 3.382 1.00 9.89 H new ATOM 0 HB3 PRO A 191 13.577 -0.733 4.468 1.00 9.89 H new ATOM 0 HG2 PRO A 191 14.772 1.949 5.030 1.00 9.82 H new ATOM 0 HG3 PRO A 191 13.331 1.213 5.704 1.00 9.82 H new ATOM 0 HD2 PRO A 191 15.638 1.354 7.120 1.00 10.13 H new ATOM 0 HD3 PRO A 191 14.535 0.006 7.312 1.00 10.13 H new ATOM 590 N ASN A 192 17.336 0.769 3.683 1.00 10.83 N ATOM 591 CA ASN A 192 18.359 1.297 2.760 1.00 11.33 C ATOM 592 C ASN A 192 17.836 1.401 1.334 1.00 11.24 C ATOM 593 O ASN A 192 18.599 1.637 0.391 1.00 11.75 O ATOM 594 CB ASN A 192 19.622 0.427 2.779 1.00 11.90 C ATOM 595 CG ASN A 192 20.481 0.665 4.004 1.00 12.46 C ATOM 596 OD1 ASN A 192 20.510 -0.294 4.912 1.00 12.68 O flip ATOM 597 ND2 ASN A 192 21.130 1.705 4.122 1.00 12.84 N flip ATOM 0 H ASN A 192 17.071 1.429 4.414 1.00 10.83 H new ATOM 0 HA ASN A 192 18.609 2.299 3.109 1.00 11.33 H new ATOM 0 HB2 ASN A 192 19.334 -0.624 2.741 1.00 11.90 H new ATOM 0 HB3 ASN A 192 20.210 0.629 1.884 1.00 11.90 H new ATOM 0 HD21 ASN A 192 21.081 2.422 3.398 1.00 12.84 H new ATOM 0 HD22 ASN A 192 21.717 1.849 4.944 1.00 12.84 H new ATOM 604 N ILE A 193 16.529 1.281 1.190 1.00 10.63 N ATOM 605 CA ILE A 193 15.889 1.370 -0.114 1.00 10.51 C ATOM 606 C ILE A 193 14.597 2.150 0.035 1.00 9.90 C ATOM 607 O ILE A 193 14.146 2.392 1.157 1.00 9.52 O ATOM 608 CB ILE A 193 15.599 -0.025 -0.732 1.00 10.37 C ATOM 609 CG1 ILE A 193 16.765 -0.973 -0.462 1.00 10.58 C ATOM 610 CG2 ILE A 193 15.367 0.092 -2.235 1.00 10.81 C ATOM 611 CD1 ILE A 193 16.356 -2.411 -0.284 1.00 10.26 C ATOM 0 H ILE A 193 15.884 1.121 1.964 1.00 10.63 H new ATOM 0 HA ILE A 193 16.572 1.878 -0.795 1.00 10.51 H new ATOM 0 HB ILE A 193 14.697 -0.425 -0.268 1.00 10.37 H new ATOM 0 HG12 ILE A 193 17.473 -0.907 -1.288 1.00 10.58 H new ATOM 0 HG13 ILE A 193 17.290 -0.641 0.434 1.00 10.58 H new ATOM 0 HG21 ILE A 193 15.165 -0.896 -2.650 1.00 10.81 H new ATOM 0 HG22 ILE A 193 14.515 0.745 -2.422 1.00 10.81 H new ATOM 0 HG23 ILE A 193 16.255 0.510 -2.709 1.00 10.81 H new ATOM 0 HD11 ILE A 193 17.240 -3.020 -0.096 1.00 10.26 H new ATOM 0 HD12 ILE A 193 15.673 -2.493 0.561 1.00 10.26 H new ATOM 0 HD13 ILE A 193 15.859 -2.762 -1.188 1.00 10.26 H new ATOM 623 N ASN A 194 14.011 2.559 -1.071 1.00 9.87 N ATOM 624 CA ASN A 194 12.775 3.315 -1.014 1.00 9.35 C ATOM 625 C ASN A 194 11.573 2.526 -1.555 1.00 8.86 C ATOM 626 O ASN A 194 10.515 2.526 -0.936 1.00 8.57 O ATOM 627 CB ASN A 194 12.939 4.639 -1.759 1.00 9.78 C ATOM 628 CG ASN A 194 13.179 4.462 -3.244 1.00 10.10 C ATOM 629 OD1 ASN A 194 13.793 3.489 -3.677 1.00 10.43 O ATOM 630 ND2 ASN A 194 12.693 5.405 -4.031 1.00 10.17 N ATOM 0 H ASN A 194 14.365 2.384 -2.011 1.00 9.87 H new ATOM 0 HA ASN A 194 12.563 3.516 0.036 1.00 9.35 H new ATOM 0 HB2 ASN A 194 12.045 5.245 -1.612 1.00 9.78 H new ATOM 0 HB3 ASN A 194 13.773 5.191 -1.326 1.00 9.78 H new ATOM 0 HD21 ASN A 194 12.821 5.343 -5.041 1.00 10.17 H new ATOM 0 HD22 ASN A 194 12.190 6.196 -3.629 1.00 10.17 H new ATOM 637 N THR A 195 11.744 1.817 -2.671 1.00 8.88 N ATOM 638 CA THR A 195 10.636 1.085 -3.277 1.00 8.49 C ATOM 639 C THR A 195 10.261 -0.176 -2.490 1.00 7.92 C ATOM 640 O THR A 195 11.126 -0.959 -2.088 1.00 8.08 O ATOM 641 CB THR A 195 10.972 0.706 -4.732 1.00 9.05 C ATOM 642 OG1 THR A 195 11.962 1.606 -5.247 1.00 9.80 O ATOM 643 CG2 THR A 195 9.731 0.775 -5.600 1.00 8.98 C ATOM 0 H THR A 195 12.631 1.735 -3.168 1.00 8.88 H new ATOM 0 HA THR A 195 9.774 1.752 -3.258 1.00 8.49 H new ATOM 0 HB THR A 195 11.356 -0.314 -4.746 1.00 9.05 H new ATOM 0 HG1 THR A 195 12.060 1.467 -6.212 1.00 9.80 H new ATOM 0 HG21 THR A 195 9.988 0.504 -6.624 1.00 8.98 H new ATOM 0 HG22 THR A 195 8.981 0.082 -5.218 1.00 8.98 H new ATOM 0 HG23 THR A 195 9.331 1.789 -5.582 1.00 8.98 H new ATOM 651 N TRP A 196 8.947 -0.367 -2.329 1.00 7.29 N ATOM 652 CA TRP A 196 8.372 -1.498 -1.590 1.00 6.73 C ATOM 653 C TRP A 196 8.880 -2.859 -2.070 1.00 7.00 C ATOM 654 O TRP A 196 9.171 -3.734 -1.256 1.00 6.84 O ATOM 655 CB TRP A 196 6.843 -1.481 -1.694 1.00 6.14 C ATOM 656 CG TRP A 196 6.146 -0.842 -0.526 1.00 5.65 C ATOM 657 CD1 TRP A 196 5.330 0.251 -0.563 1.00 5.54 C ATOM 658 CD2 TRP A 196 6.183 -1.270 0.844 1.00 5.33 C ATOM 659 NE1 TRP A 196 4.874 0.541 0.701 1.00 5.20 N ATOM 660 CE2 TRP A 196 5.380 -0.378 1.580 1.00 5.06 C ATOM 661 CE3 TRP A 196 6.818 -2.317 1.521 1.00 5.33 C ATOM 662 CZ2 TRP A 196 5.191 -0.504 2.955 1.00 4.84 C ATOM 663 CZ3 TRP A 196 6.632 -2.438 2.885 1.00 5.05 C ATOM 664 CH2 TRP A 196 5.827 -1.536 3.589 1.00 4.82 C ATOM 0 H TRP A 196 8.245 0.266 -2.712 1.00 7.29 H new ATOM 0 HA TRP A 196 8.692 -1.372 -0.556 1.00 6.73 H new ATOM 0 HB2 TRP A 196 6.559 -0.952 -2.604 1.00 6.14 H new ATOM 0 HB3 TRP A 196 6.487 -2.506 -1.797 1.00 6.14 H new ATOM 0 HD1 TRP A 196 5.079 0.807 -1.454 1.00 5.54 H new ATOM 0 HE1 TRP A 196 4.258 1.316 0.945 1.00 5.20 H new ATOM 0 HE3 TRP A 196 7.442 -3.018 0.987 1.00 5.33 H new ATOM 0 HZ2 TRP A 196 4.566 0.188 3.500 1.00 4.84 H new ATOM 0 HZ3 TRP A 196 7.117 -3.243 3.417 1.00 5.05 H new ATOM 0 HH2 TRP A 196 5.705 -1.657 4.655 1.00 4.82 H new ATOM 675 N GLN A 197 8.976 -3.037 -3.379 1.00 7.47 N ATOM 676 CA GLN A 197 9.414 -4.310 -3.945 1.00 7.85 C ATOM 677 C GLN A 197 10.839 -4.667 -3.531 1.00 8.27 C ATOM 678 O GLN A 197 11.151 -5.839 -3.316 1.00 8.37 O ATOM 679 CB GLN A 197 9.304 -4.276 -5.469 1.00 8.38 C ATOM 680 CG GLN A 197 9.245 -5.653 -6.106 1.00 8.33 C ATOM 681 CD GLN A 197 8.175 -6.533 -5.488 1.00 8.43 C ATOM 682 OE1 GLN A 197 7.007 -6.475 -5.872 1.00 8.59 O ATOM 683 NE2 GLN A 197 8.570 -7.358 -4.534 1.00 8.60 N ATOM 0 H GLN A 197 8.758 -2.320 -4.070 1.00 7.47 H new ATOM 0 HA GLN A 197 8.756 -5.083 -3.549 1.00 7.85 H new ATOM 0 HB2 GLN A 197 8.410 -3.717 -5.748 1.00 8.38 H new ATOM 0 HB3 GLN A 197 10.158 -3.734 -5.874 1.00 8.38 H new ATOM 0 HG2 GLN A 197 9.053 -5.548 -7.174 1.00 8.33 H new ATOM 0 HG3 GLN A 197 10.215 -6.139 -6.003 1.00 8.33 H new ATOM 0 HE21 GLN A 197 9.548 -7.374 -4.246 1.00 8.60 H new ATOM 0 HE22 GLN A 197 7.896 -7.979 -4.086 1.00 8.60 H new ATOM 692 N GLN A 198 11.701 -3.671 -3.413 1.00 8.57 N ATOM 693 CA GLN A 198 13.093 -3.917 -3.047 1.00 9.03 C ATOM 694 C GLN A 198 13.302 -3.971 -1.535 1.00 8.61 C ATOM 695 O GLN A 198 14.068 -4.795 -1.044 1.00 8.82 O ATOM 696 CB GLN A 198 14.003 -2.858 -3.662 1.00 9.66 C ATOM 697 CG GLN A 198 14.149 -2.979 -5.168 1.00 10.19 C ATOM 698 CD GLN A 198 13.221 -2.043 -5.921 1.00 10.85 C ATOM 699 OE1 GLN A 198 12.068 -2.381 -6.193 1.00 11.11 O ATOM 700 NE2 GLN A 198 13.719 -0.868 -6.263 1.00 11.29 N ATOM 0 H GLN A 198 11.468 -2.690 -3.563 1.00 8.57 H new ATOM 0 HA GLN A 198 13.354 -4.897 -3.446 1.00 9.03 H new ATOM 0 HB2 GLN A 198 13.610 -1.870 -3.422 1.00 9.66 H new ATOM 0 HB3 GLN A 198 14.989 -2.928 -3.203 1.00 9.66 H new ATOM 0 HG2 GLN A 198 15.180 -2.765 -5.448 1.00 10.19 H new ATOM 0 HG3 GLN A 198 13.944 -4.007 -5.468 1.00 10.19 H new ATOM 0 HE21 GLN A 198 14.680 -0.630 -6.017 1.00 11.29 H new ATOM 0 HE22 GLN A 198 13.143 -0.199 -6.773 1.00 11.29 H new ATOM 709 N VAL A 199 12.618 -3.103 -0.798 1.00 8.07 N ATOM 710 CA VAL A 199 12.765 -3.052 0.661 1.00 7.70 C ATOM 711 C VAL A 199 12.338 -4.357 1.333 1.00 7.32 C ATOM 712 O VAL A 199 12.817 -4.694 2.415 1.00 7.31 O ATOM 713 CB VAL A 199 11.962 -1.881 1.281 1.00 7.25 C ATOM 714 CG1 VAL A 199 12.412 -0.541 0.712 1.00 7.19 C ATOM 715 CG2 VAL A 199 10.472 -2.072 1.070 1.00 7.41 C ATOM 0 H VAL A 199 11.958 -2.426 -1.180 1.00 8.07 H new ATOM 0 HA VAL A 199 13.828 -2.895 0.844 1.00 7.70 H new ATOM 0 HB VAL A 199 12.160 -1.878 2.353 1.00 7.25 H new ATOM 0 HG11 VAL A 199 11.830 0.261 1.166 1.00 7.19 H new ATOM 0 HG12 VAL A 199 13.469 -0.390 0.929 1.00 7.19 H new ATOM 0 HG13 VAL A 199 12.259 -0.534 -0.367 1.00 7.19 H new ATOM 0 HG21 VAL A 199 9.931 -1.236 1.515 1.00 7.41 H new ATOM 0 HG22 VAL A 199 10.258 -2.115 0.002 1.00 7.41 H new ATOM 0 HG23 VAL A 199 10.154 -3.002 1.542 1.00 7.41 H new ATOM 725 N THR A 200 11.447 -5.091 0.688 1.00 7.10 N ATOM 726 CA THR A 200 10.952 -6.339 1.235 1.00 6.83 C ATOM 727 C THR A 200 11.916 -7.503 0.995 1.00 7.39 C ATOM 728 O THR A 200 11.843 -8.521 1.677 1.00 7.30 O ATOM 729 CB THR A 200 9.563 -6.677 0.674 1.00 6.60 C ATOM 730 OG1 THR A 200 9.492 -6.321 -0.715 1.00 6.76 O ATOM 731 CG2 THR A 200 8.476 -5.942 1.455 1.00 6.11 C ATOM 0 H THR A 200 11.051 -4.841 -0.218 1.00 7.10 H new ATOM 0 HA THR A 200 10.872 -6.195 2.313 1.00 6.83 H new ATOM 0 HB THR A 200 9.401 -7.750 0.777 1.00 6.60 H new ATOM 0 HG1 THR A 200 9.109 -5.423 -0.803 1.00 6.76 H new ATOM 0 HG21 THR A 200 7.499 -6.194 1.043 1.00 6.11 H new ATOM 0 HG22 THR A 200 8.516 -6.240 2.503 1.00 6.11 H new ATOM 0 HG23 THR A 200 8.636 -4.867 1.377 1.00 6.11 H new ATOM 739 N ALA A 201 12.824 -7.349 0.032 1.00 8.02 N ATOM 740 CA ALA A 201 13.791 -8.402 -0.285 1.00 8.63 C ATOM 741 C ALA A 201 14.663 -8.744 0.925 1.00 8.64 C ATOM 742 O ALA A 201 15.176 -9.858 1.043 1.00 8.93 O ATOM 743 CB ALA A 201 14.664 -7.991 -1.459 1.00 9.32 C ATOM 0 H ALA A 201 12.911 -6.509 -0.541 1.00 8.02 H new ATOM 0 HA ALA A 201 13.227 -9.294 -0.558 1.00 8.63 H new ATOM 0 HB1 ALA A 201 15.376 -8.787 -1.679 1.00 9.32 H new ATOM 0 HB2 ALA A 201 14.038 -7.812 -2.333 1.00 9.32 H new ATOM 0 HB3 ALA A 201 15.205 -7.079 -1.208 1.00 9.32 H new ATOM 749 N LEU A 202 14.799 -7.780 1.829 1.00 8.38 N ATOM 750 CA LEU A 202 15.600 -7.947 3.042 1.00 8.45 C ATOM 751 C LEU A 202 15.004 -9.005 3.972 1.00 8.04 C ATOM 752 O LEU A 202 15.697 -9.547 4.835 1.00 8.27 O ATOM 753 CB LEU A 202 15.710 -6.613 3.780 1.00 8.32 C ATOM 754 CG LEU A 202 16.201 -5.434 2.941 1.00 8.50 C ATOM 755 CD1 LEU A 202 16.233 -4.179 3.788 1.00 8.35 C ATOM 756 CD2 LEU A 202 17.576 -5.706 2.344 1.00 9.03 C ATOM 0 H LEU A 202 14.360 -6.863 1.745 1.00 8.38 H new ATOM 0 HA LEU A 202 16.592 -8.285 2.742 1.00 8.45 H new ATOM 0 HB2 LEU A 202 14.731 -6.362 4.189 1.00 8.32 H new ATOM 0 HB3 LEU A 202 16.386 -6.741 4.626 1.00 8.32 H new ATOM 0 HG LEU A 202 15.505 -5.294 2.114 1.00 8.50 H new ATOM 0 HD11 LEU A 202 16.584 -3.342 3.185 1.00 8.35 H new ATOM 0 HD12 LEU A 202 15.231 -3.964 4.158 1.00 8.35 H new ATOM 0 HD13 LEU A 202 16.908 -4.326 4.631 1.00 8.35 H new ATOM 0 HD21 LEU A 202 17.893 -4.846 1.754 1.00 9.03 H new ATOM 0 HD22 LEU A 202 18.293 -5.880 3.146 1.00 9.03 H new ATOM 0 HD23 LEU A 202 17.527 -6.587 1.704 1.00 9.03 H new ATOM 768 N ALA A 203 13.722 -9.299 3.777 1.00 7.51 N ATOM 769 CA ALA A 203 13.010 -10.277 4.595 1.00 7.19 C ATOM 770 C ALA A 203 13.710 -11.636 4.593 1.00 7.64 C ATOM 771 O ALA A 203 13.942 -12.227 5.641 1.00 7.71 O ATOM 772 CB ALA A 203 11.578 -10.431 4.097 1.00 6.60 C ATOM 0 H ALA A 203 13.149 -8.869 3.051 1.00 7.51 H new ATOM 0 HA ALA A 203 13.003 -9.907 5.620 1.00 7.19 H new ATOM 0 HB1 ALA A 203 11.055 -11.162 4.713 1.00 6.60 H new ATOM 0 HB2 ALA A 203 11.066 -9.471 4.160 1.00 6.60 H new ATOM 0 HB3 ALA A 203 11.588 -10.770 3.061 1.00 6.60 H new ATOM 778 N GLN A 204 14.054 -12.112 3.403 1.00 8.03 N ATOM 779 CA GLN A 204 14.705 -13.405 3.255 1.00 8.56 C ATOM 780 C GLN A 204 16.218 -13.303 3.397 1.00 9.11 C ATOM 781 O GLN A 204 16.918 -14.312 3.395 1.00 9.51 O ATOM 782 CB GLN A 204 14.316 -14.028 1.919 1.00 8.89 C ATOM 783 CG GLN A 204 12.946 -14.677 1.963 1.00 8.56 C ATOM 784 CD GLN A 204 12.873 -15.768 3.008 1.00 8.93 C ATOM 785 OE1 GLN A 204 12.638 -15.500 4.187 1.00 9.22 O ATOM 786 NE2 GLN A 204 13.077 -17.007 2.592 1.00 9.16 N ATOM 0 H GLN A 204 13.892 -11.619 2.525 1.00 8.03 H new ATOM 0 HA GLN A 204 14.361 -14.052 4.062 1.00 8.56 H new ATOM 0 HB2 GLN A 204 14.327 -13.260 1.146 1.00 8.89 H new ATOM 0 HB3 GLN A 204 15.060 -14.774 1.638 1.00 8.89 H new ATOM 0 HG2 GLN A 204 12.192 -13.919 2.176 1.00 8.56 H new ATOM 0 HG3 GLN A 204 12.711 -15.095 0.984 1.00 8.56 H new ATOM 0 HE21 GLN A 204 13.269 -17.189 1.607 1.00 9.16 H new ATOM 0 HE22 GLN A 204 13.042 -17.780 3.256 1.00 9.16 H new ATOM 795 N GLN A 205 16.725 -12.080 3.515 1.00 9.17 N ATOM 796 CA GLN A 205 18.164 -11.849 3.641 1.00 9.72 C ATOM 797 C GLN A 205 18.625 -11.978 5.092 1.00 9.52 C ATOM 798 O GLN A 205 19.661 -11.423 5.468 1.00 9.93 O ATOM 799 CB GLN A 205 18.529 -10.460 3.109 1.00 10.00 C ATOM 800 CG GLN A 205 18.536 -10.343 1.592 1.00 10.36 C ATOM 801 CD GLN A 205 19.567 -11.240 0.939 1.00 10.95 C ATOM 802 OE1 GLN A 205 20.730 -10.864 0.791 1.00 11.13 O ATOM 803 NE2 GLN A 205 19.142 -12.422 0.524 1.00 11.44 N ATOM 0 H GLN A 205 16.161 -11.230 3.526 1.00 9.17 H new ATOM 0 HA GLN A 205 18.672 -12.611 3.050 1.00 9.72 H new ATOM 0 HB2 GLN A 205 17.823 -9.734 3.513 1.00 10.00 H new ATOM 0 HB3 GLN A 205 19.515 -10.189 3.485 1.00 10.00 H new ATOM 0 HG2 GLN A 205 17.547 -10.594 1.208 1.00 10.36 H new ATOM 0 HG3 GLN A 205 18.733 -9.308 1.313 1.00 10.36 H new ATOM 0 HE21 GLN A 205 18.169 -12.693 0.667 1.00 11.44 H new ATOM 0 HE22 GLN A 205 19.787 -13.062 0.061 1.00 11.44 H new ATOM 812 N LYS A 206 17.853 -12.712 5.894 1.00 8.93 N ATOM 813 CA LYS A 206 18.165 -12.933 7.307 1.00 8.75 C ATOM 814 C LYS A 206 18.344 -11.613 8.051 1.00 8.72 C ATOM 815 O LYS A 206 19.379 -11.380 8.677 1.00 8.89 O ATOM 816 CB LYS A 206 19.428 -13.782 7.443 1.00 9.26 C ATOM 817 CG LYS A 206 19.339 -15.110 6.716 1.00 9.36 C ATOM 818 CD LYS A 206 20.706 -15.581 6.258 1.00 9.64 C ATOM 819 CE LYS A 206 20.630 -16.951 5.608 1.00 9.95 C ATOM 820 NZ LYS A 206 21.933 -17.359 5.024 1.00 10.29 N1+ ATOM 0 H LYS A 206 16.996 -13.169 5.584 1.00 8.93 H new ATOM 0 HA LYS A 206 17.324 -13.463 7.754 1.00 8.75 H new ATOM 0 HB2 LYS A 206 20.278 -13.220 7.056 1.00 9.26 H new ATOM 0 HB3 LYS A 206 19.622 -13.966 8.500 1.00 9.26 H new ATOM 0 HG2 LYS A 206 18.896 -15.858 7.374 1.00 9.36 H new ATOM 0 HG3 LYS A 206 18.679 -15.012 5.854 1.00 9.36 H new ATOM 0 HD2 LYS A 206 21.122 -14.863 5.551 1.00 9.64 H new ATOM 0 HD3 LYS A 206 21.384 -15.618 7.110 1.00 9.64 H new ATOM 0 HE2 LYS A 206 20.317 -17.687 6.348 1.00 9.95 H new ATOM 0 HE3 LYS A 206 19.869 -16.941 4.827 1.00 9.95 H new ATOM 0 HZ1 LYS A 206 21.840 -18.299 4.590 1.00 10.29 H new ATOM 0 HZ2 LYS A 206 22.220 -16.670 4.299 1.00 10.29 H new ATOM 0 HZ3 LYS A 206 22.654 -17.394 5.773 1.00 10.29 H new ATOM 834 N LEU A 207 17.342 -10.749 7.970 1.00 8.58 N ATOM 835 CA LEU A 207 17.409 -9.452 8.633 1.00 8.66 C ATOM 836 C LEU A 207 16.157 -9.191 9.458 1.00 8.06 C ATOM 837 O LEU A 207 16.226 -8.620 10.545 1.00 8.10 O ATOM 838 CB LEU A 207 17.602 -8.333 7.602 1.00 9.02 C ATOM 839 CG LEU A 207 18.967 -8.311 6.910 1.00 9.66 C ATOM 840 CD1 LEU A 207 18.894 -7.557 5.593 1.00 9.96 C ATOM 841 CD2 LEU A 207 20.012 -7.687 7.820 1.00 10.21 C ATOM 0 H LEU A 207 16.478 -10.920 7.456 1.00 8.58 H new ATOM 0 HA LEU A 207 18.265 -9.465 9.307 1.00 8.66 H new ATOM 0 HB2 LEU A 207 16.828 -8.426 6.840 1.00 9.02 H new ATOM 0 HB3 LEU A 207 17.448 -7.374 8.097 1.00 9.02 H new ATOM 0 HG LEU A 207 19.258 -9.340 6.698 1.00 9.66 H new ATOM 0 HD11 LEU A 207 19.876 -7.555 5.120 1.00 9.96 H new ATOM 0 HD12 LEU A 207 18.175 -8.044 4.934 1.00 9.96 H new ATOM 0 HD13 LEU A 207 18.579 -6.530 5.779 1.00 9.96 H new ATOM 0 HD21 LEU A 207 20.977 -7.679 7.314 1.00 10.21 H new ATOM 0 HD22 LEU A 207 19.720 -6.665 8.062 1.00 10.21 H new ATOM 0 HD23 LEU A 207 20.089 -8.269 8.738 1.00 10.21 H new ATOM 853 N LEU A 208 15.012 -9.608 8.937 1.00 7.59 N ATOM 854 CA LEU A 208 13.745 -9.408 9.625 1.00 7.05 C ATOM 855 C LEU A 208 13.326 -10.656 10.383 1.00 6.95 C ATOM 856 O LEU A 208 13.527 -11.777 9.916 1.00 6.96 O ATOM 857 CB LEU A 208 12.652 -9.019 8.631 1.00 6.63 C ATOM 858 CG LEU A 208 12.591 -7.530 8.288 1.00 6.34 C ATOM 859 CD1 LEU A 208 13.701 -7.154 7.314 1.00 6.60 C ATOM 860 CD2 LEU A 208 11.228 -7.176 7.712 1.00 5.96 C ATOM 0 H LEU A 208 14.934 -10.087 8.040 1.00 7.59 H new ATOM 0 HA LEU A 208 13.884 -8.599 10.342 1.00 7.05 H new ATOM 0 HB2 LEU A 208 12.802 -9.583 7.710 1.00 6.63 H new ATOM 0 HB3 LEU A 208 11.687 -9.323 9.037 1.00 6.63 H new ATOM 0 HG LEU A 208 12.738 -6.959 9.205 1.00 6.34 H new ATOM 0 HD11 LEU A 208 13.638 -6.090 7.084 1.00 6.60 H new ATOM 0 HD12 LEU A 208 14.669 -7.371 7.764 1.00 6.60 H new ATOM 0 HD13 LEU A 208 13.590 -7.731 6.396 1.00 6.60 H new ATOM 0 HD21 LEU A 208 11.199 -6.113 7.473 1.00 5.96 H new ATOM 0 HD22 LEU A 208 11.054 -7.757 6.806 1.00 5.96 H new ATOM 0 HD23 LEU A 208 10.453 -7.404 8.444 1.00 5.96 H new ATOM 872 N THR A 209 12.750 -10.450 11.551 1.00 6.97 N ATOM 873 CA THR A 209 12.288 -11.547 12.382 1.00 7.00 C ATOM 874 C THR A 209 10.779 -11.715 12.218 1.00 6.57 C ATOM 875 O THR A 209 10.119 -10.829 11.663 1.00 6.24 O ATOM 876 CB THR A 209 12.610 -11.274 13.868 1.00 7.40 C ATOM 877 OG1 THR A 209 11.772 -10.224 14.367 1.00 7.39 O ATOM 878 CG2 THR A 209 14.068 -10.884 14.038 1.00 7.89 C ATOM 0 H THR A 209 12.589 -9.525 11.950 1.00 6.97 H new ATOM 0 HA THR A 209 12.799 -12.458 12.070 1.00 7.00 H new ATOM 0 HB THR A 209 12.423 -12.188 14.432 1.00 7.40 H new ATOM 0 HG1 THR A 209 12.216 -9.360 14.235 1.00 7.39 H new ATOM 0 HG21 THR A 209 14.274 -10.696 15.092 1.00 7.89 H new ATOM 0 HG22 THR A 209 14.705 -11.694 13.683 1.00 7.89 H new ATOM 0 HG23 THR A 209 14.273 -9.982 13.462 1.00 7.89 H new ATOM 886 N PRO A 210 10.203 -12.850 12.664 1.00 6.66 N ATOM 887 CA PRO A 210 8.753 -13.075 12.592 1.00 6.45 C ATOM 888 C PRO A 210 7.967 -11.980 13.314 1.00 6.38 C ATOM 889 O PRO A 210 6.764 -11.828 13.111 1.00 6.16 O ATOM 890 CB PRO A 210 8.549 -14.430 13.285 1.00 6.85 C ATOM 891 CG PRO A 210 9.831 -14.733 13.981 1.00 7.16 C ATOM 892 CD PRO A 210 10.906 -14.024 13.209 1.00 7.08 C ATOM 0 HA PRO A 210 8.393 -13.061 11.563 1.00 6.45 H new ATOM 0 HB2 PRO A 210 7.722 -14.385 13.993 1.00 6.85 H new ATOM 0 HB3 PRO A 210 8.306 -15.206 12.560 1.00 6.85 H new ATOM 0 HG2 PRO A 210 9.803 -14.389 15.015 1.00 7.16 H new ATOM 0 HG3 PRO A 210 10.015 -15.807 14.007 1.00 7.16 H new ATOM 0 HD2 PRO A 210 11.739 -13.734 13.850 1.00 7.08 H new ATOM 0 HD3 PRO A 210 11.316 -14.652 12.418 1.00 7.08 H new ATOM 900 N GLN A 211 8.658 -11.216 14.153 1.00 6.66 N ATOM 901 CA GLN A 211 8.035 -10.129 14.889 1.00 6.77 C ATOM 902 C GLN A 211 8.068 -8.835 14.080 1.00 6.45 C ATOM 903 O GLN A 211 7.143 -8.023 14.148 1.00 6.38 O ATOM 904 CB GLN A 211 8.732 -9.925 16.234 1.00 7.30 C ATOM 905 CG GLN A 211 8.300 -10.920 17.297 1.00 7.72 C ATOM 906 CD GLN A 211 6.802 -10.913 17.512 1.00 8.30 C ATOM 907 OE1 GLN A 211 6.280 -10.120 18.294 1.00 8.70 O ATOM 908 NE2 GLN A 211 6.098 -11.799 16.826 1.00 8.61 N ATOM 0 H GLN A 211 9.654 -11.333 14.339 1.00 6.66 H new ATOM 0 HA GLN A 211 6.994 -10.397 15.069 1.00 6.77 H new ATOM 0 HB2 GLN A 211 9.810 -10.003 16.091 1.00 7.30 H new ATOM 0 HB3 GLN A 211 8.530 -8.915 16.590 1.00 7.30 H new ATOM 0 HG2 GLN A 211 8.619 -11.921 17.006 1.00 7.72 H new ATOM 0 HG3 GLN A 211 8.801 -10.686 18.236 1.00 7.72 H new ATOM 0 HE21 GLN A 211 6.569 -12.440 16.187 1.00 8.61 H new ATOM 0 HE22 GLN A 211 5.085 -11.841 16.936 1.00 8.61 H new ATOM 917 N ASP A 212 9.129 -8.655 13.298 1.00 6.37 N ATOM 918 CA ASP A 212 9.282 -7.455 12.481 1.00 6.18 C ATOM 919 C ASP A 212 8.389 -7.520 11.253 1.00 5.63 C ATOM 920 O ASP A 212 7.919 -6.494 10.760 1.00 5.44 O ATOM 921 CB ASP A 212 10.734 -7.277 12.035 1.00 6.44 C ATOM 922 CG ASP A 212 11.701 -7.192 13.194 1.00 7.03 C ATOM 923 OD1 ASP A 212 11.558 -6.276 14.036 1.00 7.38 O ATOM 924 OD2 ASP A 212 12.610 -8.044 13.268 1.00 7.34 O1- ATOM 0 H ASP A 212 9.894 -9.324 13.213 1.00 6.37 H new ATOM 0 HA ASP A 212 8.990 -6.603 13.095 1.00 6.18 H new ATOM 0 HB2 ASP A 212 11.016 -8.112 11.394 1.00 6.44 H new ATOM 0 HB3 ASP A 212 10.815 -6.371 11.434 1.00 6.44 H new ATOM 929 N MET A 213 8.149 -8.735 10.768 1.00 5.47 N ATOM 930 CA MET A 213 7.313 -8.942 9.587 1.00 5.06 C ATOM 931 C MET A 213 5.886 -8.443 9.818 1.00 4.94 C ATOM 932 O MET A 213 5.189 -8.068 8.873 1.00 4.64 O ATOM 933 CB MET A 213 7.302 -10.426 9.190 1.00 5.15 C ATOM 934 CG MET A 213 6.403 -11.307 10.047 1.00 5.33 C ATOM 935 SD MET A 213 6.464 -13.045 9.564 1.00 5.56 S ATOM 936 CE MET A 213 5.720 -12.969 7.936 1.00 5.57 C ATOM 0 H MET A 213 8.522 -9.593 11.175 1.00 5.47 H new ATOM 0 HA MET A 213 7.742 -8.361 8.770 1.00 5.06 H new ATOM 0 HB2 MET A 213 6.984 -10.508 8.151 1.00 5.15 H new ATOM 0 HB3 MET A 213 8.321 -10.810 9.243 1.00 5.15 H new ATOM 0 HG2 MET A 213 6.700 -11.214 11.092 1.00 5.33 H new ATOM 0 HG3 MET A 213 5.376 -10.950 9.974 1.00 5.33 H new ATOM 0 HE1 MET A 213 5.539 -13.980 7.571 1.00 5.57 H new ATOM 0 HE2 MET A 213 4.775 -12.429 7.993 1.00 5.57 H new ATOM 0 HE3 MET A 213 6.393 -12.451 7.252 1.00 5.57 H new ATOM 946 N GLU A 214 5.464 -8.430 11.077 1.00 5.29 N ATOM 947 CA GLU A 214 4.129 -7.974 11.432 1.00 5.44 C ATOM 948 C GLU A 214 4.086 -6.453 11.565 1.00 5.41 C ATOM 949 O GLU A 214 3.046 -5.831 11.356 1.00 5.42 O ATOM 950 CB GLU A 214 3.677 -8.627 12.740 1.00 6.00 C ATOM 951 CG GLU A 214 3.413 -10.120 12.611 1.00 6.18 C ATOM 952 CD GLU A 214 2.158 -10.425 11.812 1.00 6.23 C ATOM 953 OE1 GLU A 214 1.062 -10.470 12.412 1.00 6.43 O ATOM 954 OE2 GLU A 214 2.258 -10.623 10.583 1.00 6.40 O1- ATOM 0 H GLU A 214 6.030 -8.731 11.870 1.00 5.29 H new ATOM 0 HA GLU A 214 3.448 -8.267 10.633 1.00 5.44 H new ATOM 0 HB2 GLU A 214 4.440 -8.465 13.501 1.00 6.00 H new ATOM 0 HB3 GLU A 214 2.770 -8.134 13.089 1.00 6.00 H new ATOM 0 HG2 GLU A 214 4.269 -10.596 12.132 1.00 6.18 H new ATOM 0 HG3 GLU A 214 3.321 -10.556 13.606 1.00 6.18 H new ATOM 961 N ALA A 215 5.229 -5.855 11.881 1.00 5.51 N ATOM 962 CA ALA A 215 5.317 -4.408 12.046 1.00 5.66 C ATOM 963 C ALA A 215 5.221 -3.692 10.702 1.00 5.27 C ATOM 964 O ALA A 215 4.796 -2.537 10.625 1.00 5.33 O ATOM 965 CB ALA A 215 6.612 -4.037 12.755 1.00 6.08 C ATOM 0 H ALA A 215 6.109 -6.350 12.028 1.00 5.51 H new ATOM 0 HA ALA A 215 4.475 -4.085 12.658 1.00 5.66 H new ATOM 0 HB1 ALA A 215 6.666 -2.955 12.872 1.00 6.08 H new ATOM 0 HB2 ALA A 215 6.638 -4.510 13.737 1.00 6.08 H new ATOM 0 HB3 ALA A 215 7.461 -4.381 12.165 1.00 6.08 H new ATOM 971 N ALA A 216 5.602 -4.391 9.641 1.00 4.95 N ATOM 972 CA ALA A 216 5.561 -3.833 8.298 1.00 4.66 C ATOM 973 C ALA A 216 4.122 -3.670 7.822 1.00 4.31 C ATOM 974 O ALA A 216 3.838 -2.862 6.937 1.00 4.17 O ATOM 975 CB ALA A 216 6.341 -4.716 7.339 1.00 4.61 C ATOM 0 H ALA A 216 5.945 -5.351 9.686 1.00 4.95 H new ATOM 0 HA ALA A 216 6.024 -2.846 8.322 1.00 4.66 H new ATOM 0 HB1 ALA A 216 6.303 -4.288 6.337 1.00 4.61 H new ATOM 0 HB2 ALA A 216 7.379 -4.781 7.667 1.00 4.61 H new ATOM 0 HB3 ALA A 216 5.902 -5.714 7.324 1.00 4.61 H new ATOM 981 N LYS A 217 3.214 -4.433 8.425 1.00 4.31 N ATOM 982 CA LYS A 217 1.805 -4.373 8.063 1.00 4.20 C ATOM 983 C LYS A 217 1.213 -3.016 8.426 1.00 4.42 C ATOM 984 O LYS A 217 0.416 -2.456 7.673 1.00 4.34 O ATOM 985 CB LYS A 217 1.021 -5.488 8.754 1.00 4.47 C ATOM 986 CG LYS A 217 1.170 -6.839 8.080 1.00 4.63 C ATOM 987 CD LYS A 217 0.627 -7.959 8.948 1.00 5.07 C ATOM 988 CE LYS A 217 0.433 -9.237 8.149 1.00 5.46 C ATOM 989 NZ LYS A 217 0.062 -10.382 9.017 1.00 5.88 N1+ ATOM 0 H LYS A 217 3.431 -5.099 9.166 1.00 4.31 H new ATOM 0 HA LYS A 217 1.729 -4.510 6.984 1.00 4.20 H new ATOM 0 HB2 LYS A 217 1.354 -5.568 9.789 1.00 4.47 H new ATOM 0 HB3 LYS A 217 -0.035 -5.218 8.779 1.00 4.47 H new ATOM 0 HG2 LYS A 217 0.644 -6.830 7.125 1.00 4.63 H new ATOM 0 HG3 LYS A 217 2.222 -7.024 7.863 1.00 4.63 H new ATOM 0 HD2 LYS A 217 1.313 -8.146 9.774 1.00 5.07 H new ATOM 0 HD3 LYS A 217 -0.324 -7.654 9.385 1.00 5.07 H new ATOM 0 HE2 LYS A 217 -0.344 -9.082 7.400 1.00 5.46 H new ATOM 0 HE3 LYS A 217 1.352 -9.472 7.611 1.00 5.46 H new ATOM 0 HZ1 LYS A 217 -0.444 -11.095 8.454 1.00 5.88 H new ATOM 0 HZ2 LYS A 217 0.922 -10.805 9.420 1.00 5.88 H new ATOM 0 HZ3 LYS A 217 -0.553 -10.049 9.787 1.00 5.88 H new ATOM 1003 N GLU A 218 1.619 -2.493 9.575 1.00 0.00 N ATOM 1004 CA GLU A 218 1.143 -1.189 10.028 1.00 0.00 C ATOM 1005 C GLU A 218 1.578 -0.097 9.081 1.00 0.00 C ATOM 1006 O GLU A 218 0.812 0.801 8.749 1.00 0.00 O ATOM 1007 CB GLU A 218 1.671 -0.906 11.463 1.00 0.00 C ATOM 1008 CG GLU A 218 1.088 -1.817 12.592 1.00 0.00 C ATOM 1009 CD GLU A 218 1.600 -1.628 14.008 1.00 0.00 C ATOM 1010 OE1 GLU A 218 2.493 -0.796 14.260 1.00 0.00 O ATOM 1011 OE2 GLU A 218 1.070 -2.334 14.891 1.00 0.00 O1- ATOM 0 H GLU A 218 2.275 -2.948 10.210 1.00 0.00 H new ATOM 0 HA GLU A 218 0.053 -1.203 10.045 1.00 0.00 H new ATOM 0 HB2 GLU A 218 2.756 -1.013 11.459 1.00 0.00 H new ATOM 0 HB3 GLU A 218 1.454 0.133 11.712 1.00 0.00 H new ATOM 0 HG2 GLU A 218 0.007 -1.675 12.608 1.00 0.00 H new ATOM 0 HG3 GLU A 218 1.269 -2.854 12.309 1.00 0.00 H new ATOM 1018 N VAL A 219 2.829 -0.192 8.644 1.00 4.99 N ATOM 1019 CA VAL A 219 3.402 0.782 7.726 1.00 5.07 C ATOM 1020 C VAL A 219 2.574 0.884 6.448 1.00 4.71 C ATOM 1021 O VAL A 219 2.261 1.980 5.982 1.00 4.89 O ATOM 1022 CB VAL A 219 4.858 0.410 7.373 1.00 5.20 C ATOM 1023 CG1 VAL A 219 5.466 1.428 6.429 1.00 5.47 C ATOM 1024 CG2 VAL A 219 5.699 0.285 8.636 1.00 5.63 C ATOM 0 H VAL A 219 3.468 -0.940 8.914 1.00 4.99 H new ATOM 0 HA VAL A 219 3.394 1.750 8.226 1.00 5.07 H new ATOM 0 HB VAL A 219 4.846 -0.555 6.867 1.00 5.20 H new ATOM 0 HG11 VAL A 219 6.492 1.142 6.197 1.00 5.47 H new ATOM 0 HG12 VAL A 219 4.883 1.465 5.509 1.00 5.47 H new ATOM 0 HG13 VAL A 219 5.462 2.410 6.901 1.00 5.47 H new ATOM 0 HG21 VAL A 219 6.722 0.022 8.367 1.00 5.63 H new ATOM 0 HG22 VAL A 219 5.697 1.235 9.170 1.00 5.63 H new ATOM 0 HG23 VAL A 219 5.281 -0.492 9.276 1.00 5.63 H new ATOM 1034 N TYR A 220 2.197 -0.267 5.907 1.00 4.28 N ATOM 1035 CA TYR A 220 1.403 -0.324 4.688 1.00 4.00 C ATOM 1036 C TYR A 220 0.027 0.315 4.899 1.00 4.14 C ATOM 1037 O TYR A 220 -0.470 1.039 4.036 1.00 4.18 O ATOM 1038 CB TYR A 220 1.249 -1.782 4.244 1.00 3.69 C ATOM 1039 CG TYR A 220 0.465 -1.964 2.964 1.00 3.55 C ATOM 1040 CD1 TYR A 220 0.956 -1.495 1.752 1.00 3.52 C ATOM 1041 CD2 TYR A 220 -0.763 -2.612 2.968 1.00 3.97 C ATOM 1042 CE1 TYR A 220 0.241 -1.665 0.582 1.00 3.66 C ATOM 1043 CE2 TYR A 220 -1.483 -2.785 1.802 1.00 4.12 C ATOM 1044 CZ TYR A 220 -0.977 -2.309 0.613 1.00 3.85 C ATOM 1045 OH TYR A 220 -1.696 -2.477 -0.550 1.00 4.23 O ATOM 0 H TYR A 220 2.431 -1.180 6.297 1.00 4.28 H new ATOM 0 HA TYR A 220 1.918 0.239 3.910 1.00 4.00 H new ATOM 0 HB2 TYR A 220 2.240 -2.216 4.114 1.00 3.69 H new ATOM 0 HB3 TYR A 220 0.758 -2.342 5.040 1.00 3.69 H new ATOM 0 HD1 TYR A 220 1.910 -0.990 1.724 1.00 3.52 H new ATOM 0 HD2 TYR A 220 -1.162 -2.987 3.899 1.00 3.97 H new ATOM 0 HE1 TYR A 220 0.635 -1.295 -0.353 1.00 3.66 H new ATOM 0 HE2 TYR A 220 -2.437 -3.291 1.823 1.00 4.12 H new ATOM 0 HH TYR A 220 -2.531 -2.951 -0.353 1.00 4.23 H new ATOM 1055 N LYS A 221 -0.567 0.066 6.060 1.00 4.37 N ATOM 1056 CA LYS A 221 -1.886 0.605 6.378 1.00 4.73 C ATOM 1057 C LYS A 221 -1.850 2.126 6.526 1.00 5.09 C ATOM 1058 O LYS A 221 -2.810 2.816 6.178 1.00 5.27 O ATOM 1059 CB LYS A 221 -2.430 -0.043 7.651 1.00 5.11 C ATOM 1060 CG LYS A 221 -2.743 -1.521 7.484 1.00 5.12 C ATOM 1061 CD LYS A 221 -3.356 -2.107 8.742 1.00 5.57 C ATOM 1062 CE LYS A 221 -3.588 -3.602 8.607 1.00 5.79 C ATOM 1063 NZ LYS A 221 -4.211 -4.179 9.826 1.00 6.17 N1+ ATOM 0 H LYS A 221 -0.157 -0.506 6.798 1.00 4.37 H new ATOM 0 HA LYS A 221 -2.552 0.370 5.548 1.00 4.73 H new ATOM 0 HB2 LYS A 221 -1.702 0.079 8.453 1.00 5.11 H new ATOM 0 HB3 LYS A 221 -3.335 0.481 7.959 1.00 5.11 H new ATOM 0 HG2 LYS A 221 -3.428 -1.656 6.647 1.00 5.12 H new ATOM 0 HG3 LYS A 221 -1.829 -2.062 7.238 1.00 5.12 H new ATOM 0 HD2 LYS A 221 -2.699 -1.915 9.591 1.00 5.57 H new ATOM 0 HD3 LYS A 221 -4.302 -1.609 8.952 1.00 5.57 H new ATOM 0 HE2 LYS A 221 -4.229 -3.793 7.746 1.00 5.79 H new ATOM 0 HE3 LYS A 221 -2.638 -4.101 8.414 1.00 5.79 H new ATOM 0 HZ1 LYS A 221 -4.353 -5.201 9.693 1.00 6.17 H new ATOM 0 HZ2 LYS A 221 -3.588 -4.019 10.643 1.00 6.17 H new ATOM 0 HZ3 LYS A 221 -5.129 -3.722 9.996 1.00 6.17 H new ATOM 1077 N ILE A 222 -0.747 2.651 7.042 1.00 5.30 N ATOM 1078 CA ILE A 222 -0.608 4.092 7.214 1.00 5.78 C ATOM 1079 C ILE A 222 -0.243 4.743 5.876 1.00 5.68 C ATOM 1080 O ILE A 222 -0.603 5.889 5.605 1.00 6.01 O ATOM 1081 CB ILE A 222 0.455 4.437 8.283 1.00 6.15 C ATOM 1082 CG1 ILE A 222 0.162 3.679 9.582 1.00 6.30 C ATOM 1083 CG2 ILE A 222 0.485 5.936 8.545 1.00 6.74 C ATOM 1084 CD1 ILE A 222 1.338 3.621 10.538 1.00 6.53 C ATOM 0 H ILE A 222 0.059 2.106 7.347 1.00 5.30 H new ATOM 0 HA ILE A 222 -1.564 4.484 7.560 1.00 5.78 H new ATOM 0 HB ILE A 222 1.433 4.133 7.909 1.00 6.15 H new ATOM 0 HG12 ILE A 222 -0.680 4.153 10.086 1.00 6.30 H new ATOM 0 HG13 ILE A 222 -0.145 2.662 9.337 1.00 6.30 H new ATOM 0 HG21 ILE A 222 1.239 6.158 9.300 1.00 6.74 H new ATOM 0 HG22 ILE A 222 0.729 6.462 7.622 1.00 6.74 H new ATOM 0 HG23 ILE A 222 -0.492 6.263 8.901 1.00 6.74 H new ATOM 0 HD11 ILE A 222 1.052 3.069 11.433 1.00 6.53 H new ATOM 0 HD12 ILE A 222 2.176 3.119 10.054 1.00 6.53 H new ATOM 0 HD13 ILE A 222 1.632 4.633 10.815 1.00 6.53 H new ATOM 1096 N HIS A 223 0.450 3.983 5.037 1.00 5.31 N ATOM 1097 CA HIS A 223 0.873 4.456 3.721 1.00 5.36 C ATOM 1098 C HIS A 223 -0.331 4.714 2.821 1.00 5.26 C ATOM 1099 O HIS A 223 -0.444 5.780 2.209 1.00 5.59 O ATOM 1100 CB HIS A 223 1.801 3.420 3.070 1.00 5.11 C ATOM 1101 CG HIS A 223 2.640 3.953 1.944 1.00 5.45 C ATOM 1102 ND1 HIS A 223 3.306 3.108 1.091 1.00 5.42 N ATOM 1103 CD2 HIS A 223 2.902 5.236 1.585 1.00 5.95 C ATOM 1104 CE1 HIS A 223 3.949 3.885 0.236 1.00 5.92 C ATOM 1105 NE2 HIS A 223 3.736 5.182 0.495 1.00 6.23 N ATOM 0 H HIS A 223 0.734 3.026 5.246 1.00 5.31 H new ATOM 0 HA HIS A 223 1.411 5.395 3.849 1.00 5.36 H new ATOM 0 HB2 HIS A 223 2.461 3.011 3.835 1.00 5.11 H new ATOM 0 HB3 HIS A 223 1.196 2.594 2.696 1.00 5.11 H new ATOM 0 HD2 HIS A 223 2.527 6.128 2.065 1.00 5.95 H new ATOM 0 HE1 HIS A 223 4.568 3.520 -0.570 1.00 5.92 H new ATOM 0 HE2 HIS A 223 4.119 5.976 -0.018 1.00 6.23 H new ATOM 1113 N GLN A 224 -1.238 3.742 2.760 1.00 4.91 N ATOM 1114 CA GLN A 224 -2.432 3.860 1.927 1.00 4.90 C ATOM 1115 C GLN A 224 -3.358 4.964 2.428 1.00 5.38 C ATOM 1116 O GLN A 224 -4.153 5.509 1.665 1.00 5.57 O ATOM 1117 CB GLN A 224 -3.185 2.527 1.870 1.00 4.63 C ATOM 1118 CG GLN A 224 -3.657 2.021 3.225 1.00 4.79 C ATOM 1119 CD GLN A 224 -4.388 0.698 3.128 1.00 4.97 C ATOM 1120 OE1 GLN A 224 -3.777 -0.368 3.180 1.00 5.09 O ATOM 1121 NE2 GLN A 224 -5.702 0.755 2.984 1.00 5.38 N ATOM 0 H GLN A 224 -1.169 2.865 3.277 1.00 4.91 H new ATOM 0 HA GLN A 224 -2.104 4.125 0.922 1.00 4.90 H new ATOM 0 HB2 GLN A 224 -4.049 2.638 1.215 1.00 4.63 H new ATOM 0 HB3 GLN A 224 -2.537 1.775 1.419 1.00 4.63 H new ATOM 0 HG2 GLN A 224 -2.798 1.910 3.887 1.00 4.79 H new ATOM 0 HG3 GLN A 224 -4.315 2.763 3.677 1.00 4.79 H new ATOM 0 HE21 GLN A 224 -6.172 1.659 2.945 1.00 5.38 H new ATOM 0 HE22 GLN A 224 -6.245 -0.105 2.912 1.00 5.38 H new ATOM 1130 N GLN A 225 -3.249 5.294 3.707 1.00 5.66 N ATOM 1131 CA GLN A 225 -4.078 6.335 4.302 1.00 6.22 C ATOM 1132 C GLN A 225 -3.773 7.692 3.684 1.00 6.53 C ATOM 1133 O GLN A 225 -4.675 8.385 3.215 1.00 6.88 O ATOM 1134 CB GLN A 225 -3.856 6.399 5.813 1.00 6.56 C ATOM 1135 CG GLN A 225 -4.842 5.568 6.615 1.00 6.94 C ATOM 1136 CD GLN A 225 -4.439 5.440 8.071 1.00 7.36 C ATOM 1137 OE1 GLN A 225 -4.754 6.302 8.896 1.00 7.76 O ATOM 1138 NE2 GLN A 225 -3.742 4.367 8.398 1.00 7.56 N ATOM 0 H GLN A 225 -2.594 4.856 4.354 1.00 5.66 H new ATOM 0 HA GLN A 225 -5.120 6.085 4.103 1.00 6.22 H new ATOM 0 HB2 GLN A 225 -2.844 6.060 6.036 1.00 6.56 H new ATOM 0 HB3 GLN A 225 -3.923 7.438 6.137 1.00 6.56 H new ATOM 0 HG2 GLN A 225 -5.831 6.022 6.553 1.00 6.94 H new ATOM 0 HG3 GLN A 225 -4.919 4.574 6.173 1.00 6.94 H new ATOM 0 HE21 GLN A 225 -3.502 3.678 7.685 1.00 7.56 H new ATOM 0 HE22 GLN A 225 -3.444 4.227 9.363 1.00 7.56 H new ATOM 1147 N LEU A 226 -2.496 8.049 3.672 1.00 6.49 N ATOM 1148 CA LEU A 226 -2.051 9.328 3.124 1.00 6.92 C ATOM 1149 C LEU A 226 -2.407 9.456 1.648 1.00 6.85 C ATOM 1150 O LEU A 226 -2.878 10.505 1.200 1.00 7.28 O ATOM 1151 CB LEU A 226 -0.539 9.478 3.303 1.00 7.02 C ATOM 1152 CG LEU A 226 -0.057 9.542 4.750 1.00 7.62 C ATOM 1153 CD1 LEU A 226 1.462 9.499 4.805 1.00 7.93 C ATOM 1154 CD2 LEU A 226 -0.581 10.796 5.430 1.00 8.09 C ATOM 0 H LEU A 226 -1.743 7.467 4.038 1.00 6.49 H new ATOM 0 HA LEU A 226 -2.565 10.120 3.668 1.00 6.92 H new ATOM 0 HB2 LEU A 226 -0.046 8.640 2.810 1.00 7.02 H new ATOM 0 HB3 LEU A 226 -0.217 10.384 2.790 1.00 7.02 H new ATOM 0 HG LEU A 226 -0.446 8.675 5.283 1.00 7.62 H new ATOM 0 HD11 LEU A 226 1.790 9.546 5.843 1.00 7.93 H new ATOM 0 HD12 LEU A 226 1.816 8.572 4.354 1.00 7.93 H new ATOM 0 HD13 LEU A 226 1.870 10.348 4.257 1.00 7.93 H new ATOM 0 HD21 LEU A 226 -0.228 10.826 6.461 1.00 8.09 H new ATOM 0 HD22 LEU A 226 -0.221 11.676 4.898 1.00 8.09 H new ATOM 0 HD23 LEU A 226 -1.671 10.787 5.420 1.00 8.09 H new ATOM 1166 N LEU A 227 -2.192 8.384 0.904 1.00 6.38 N ATOM 1167 CA LEU A 227 -2.476 8.376 -0.522 1.00 6.38 C ATOM 1168 C LEU A 227 -3.976 8.469 -0.787 1.00 6.51 C ATOM 1169 O LEU A 227 -4.407 9.176 -1.699 1.00 6.81 O ATOM 1170 CB LEU A 227 -1.877 7.127 -1.168 1.00 5.94 C ATOM 1171 CG LEU A 227 -0.346 7.102 -1.191 1.00 5.92 C ATOM 1172 CD1 LEU A 227 0.164 5.727 -1.580 1.00 5.56 C ATOM 1173 CD2 LEU A 227 0.189 8.157 -2.150 1.00 6.51 C ATOM 0 H LEU A 227 -1.821 7.505 1.265 1.00 6.38 H new ATOM 0 HA LEU A 227 -2.013 9.254 -0.972 1.00 6.38 H new ATOM 0 HB2 LEU A 227 -2.235 6.248 -0.632 1.00 5.94 H new ATOM 0 HB3 LEU A 227 -2.245 7.049 -2.191 1.00 5.94 H new ATOM 0 HG LEU A 227 0.014 7.329 -0.187 1.00 5.92 H new ATOM 0 HD11 LEU A 227 1.254 5.733 -1.590 1.00 5.56 H new ATOM 0 HD12 LEU A 227 -0.189 4.990 -0.858 1.00 5.56 H new ATOM 0 HD13 LEU A 227 -0.206 5.469 -2.572 1.00 5.56 H new ATOM 0 HD21 LEU A 227 1.279 8.126 -2.154 1.00 6.51 H new ATOM 0 HD22 LEU A 227 -0.184 7.958 -3.155 1.00 6.51 H new ATOM 0 HD23 LEU A 227 -0.144 9.144 -1.828 1.00 6.51 H new ATOM 1185 N PHE A 228 -4.771 7.771 0.014 1.00 6.38 N ATOM 1186 CA PHE A 228 -6.220 7.803 -0.144 1.00 6.62 C ATOM 1187 C PHE A 228 -6.741 9.201 0.167 1.00 7.17 C ATOM 1188 O PHE A 228 -7.630 9.714 -0.513 1.00 7.44 O ATOM 1189 CB PHE A 228 -6.889 6.772 0.771 1.00 6.57 C ATOM 1190 CG PHE A 228 -8.256 6.362 0.325 1.00 6.89 C ATOM 1191 CD1 PHE A 228 -8.419 5.294 -0.539 1.00 7.04 C ATOM 1192 CD2 PHE A 228 -9.376 7.040 0.769 1.00 7.26 C ATOM 1193 CE1 PHE A 228 -9.677 4.910 -0.953 1.00 7.43 C ATOM 1194 CE2 PHE A 228 -10.636 6.663 0.359 1.00 7.64 C ATOM 1195 CZ PHE A 228 -10.789 5.595 -0.505 1.00 7.67 C ATOM 0 H PHE A 228 -4.440 7.179 0.776 1.00 6.38 H new ATOM 0 HA PHE A 228 -6.464 7.551 -1.176 1.00 6.62 H new ATOM 0 HB2 PHE A 228 -6.256 5.887 0.828 1.00 6.57 H new ATOM 0 HB3 PHE A 228 -6.954 7.183 1.778 1.00 6.57 H new ATOM 0 HD1 PHE A 228 -7.552 4.756 -0.893 1.00 7.04 H new ATOM 0 HD2 PHE A 228 -9.262 7.875 1.445 1.00 7.26 H new ATOM 0 HE1 PHE A 228 -9.792 4.074 -1.627 1.00 7.43 H new ATOM 0 HE2 PHE A 228 -11.503 7.201 0.712 1.00 7.64 H new ATOM 0 HZ PHE A 228 -11.775 5.297 -0.829 1.00 7.67 H new ATOM 1205 N LYS A 229 -6.166 9.816 1.194 1.00 7.38 N ATOM 1206 CA LYS A 229 -6.551 11.158 1.601 1.00 7.96 C ATOM 1207 C LYS A 229 -6.216 12.168 0.509 1.00 8.17 C ATOM 1208 O LYS A 229 -7.028 13.030 0.182 1.00 8.60 O ATOM 1209 CB LYS A 229 -5.845 11.541 2.902 1.00 8.19 C ATOM 1210 CG LYS A 229 -6.488 10.950 4.145 1.00 8.20 C ATOM 1211 CD LYS A 229 -5.482 10.803 5.273 1.00 8.62 C ATOM 1212 CE LYS A 229 -6.139 10.954 6.634 1.00 8.81 C ATOM 1213 NZ LYS A 229 -6.640 12.337 6.859 1.00 9.36 N1+ ATOM 0 H LYS A 229 -5.427 9.402 1.762 1.00 7.38 H new ATOM 0 HA LYS A 229 -7.628 11.169 1.766 1.00 7.96 H new ATOM 0 HB2 LYS A 229 -4.807 11.214 2.851 1.00 8.19 H new ATOM 0 HB3 LYS A 229 -5.833 12.627 2.992 1.00 8.19 H new ATOM 0 HG2 LYS A 229 -7.310 11.588 4.470 1.00 8.20 H new ATOM 0 HG3 LYS A 229 -6.915 9.976 3.907 1.00 8.20 H new ATOM 0 HD2 LYS A 229 -5.001 9.827 5.207 1.00 8.62 H new ATOM 0 HD3 LYS A 229 -4.698 11.552 5.162 1.00 8.62 H new ATOM 0 HE2 LYS A 229 -6.967 10.250 6.717 1.00 8.81 H new ATOM 0 HE3 LYS A 229 -5.422 10.696 7.414 1.00 8.81 H new ATOM 0 HZ1 LYS A 229 -6.701 12.522 7.881 1.00 9.36 H new ATOM 0 HZ2 LYS A 229 -5.987 13.018 6.422 1.00 9.36 H new ATOM 0 HZ3 LYS A 229 -7.583 12.439 6.431 1.00 9.36 H new ATOM 1227 N ALA A 230 -5.016 12.046 -0.054 1.00 7.94 N ATOM 1228 CA ALA A 230 -4.565 12.942 -1.113 1.00 8.24 C ATOM 1229 C ALA A 230 -5.389 12.766 -2.386 1.00 8.26 C ATOM 1230 O ALA A 230 -5.540 13.702 -3.176 1.00 8.69 O ATOM 1231 CB ALA A 230 -3.090 12.718 -1.404 1.00 8.09 C ATOM 0 H ALA A 230 -4.337 11.332 0.208 1.00 7.94 H new ATOM 0 HA ALA A 230 -4.707 13.965 -0.764 1.00 8.24 H new ATOM 0 HB1 ALA A 230 -2.769 13.394 -2.196 1.00 8.09 H new ATOM 0 HB2 ALA A 230 -2.508 12.912 -0.503 1.00 8.09 H new ATOM 0 HB3 ALA A 230 -2.934 11.687 -1.721 1.00 8.09 H new ATOM 1237 N ARG A 231 -5.904 11.560 -2.592 1.00 7.86 N ATOM 1238 CA ARG A 231 -6.725 11.266 -3.762 1.00 7.92 C ATOM 1239 C ARG A 231 -8.082 11.944 -3.638 1.00 8.29 C ATOM 1240 O ARG A 231 -8.615 12.482 -4.609 1.00 8.56 O ATOM 1241 CB ARG A 231 -6.921 9.754 -3.920 1.00 7.47 C ATOM 1242 CG ARG A 231 -5.817 9.059 -4.702 1.00 7.27 C ATOM 1243 CD ARG A 231 -5.937 9.315 -6.198 1.00 7.20 C ATOM 1244 NE ARG A 231 -5.172 8.343 -6.988 1.00 7.43 N ATOM 1245 CZ ARG A 231 -3.987 8.596 -7.547 1.00 7.64 C ATOM 1246 NH1 ARG A 231 -3.420 9.789 -7.409 1.00 7.67 N1+ ATOM 1247 NH2 ARG A 231 -3.364 7.653 -8.245 1.00 8.09 N ATOM 0 H ARG A 231 -5.768 10.768 -1.964 1.00 7.86 H new ATOM 0 HA ARG A 231 -6.209 11.649 -4.643 1.00 7.92 H new ATOM 0 HB2 ARG A 231 -6.989 9.303 -2.930 1.00 7.47 H new ATOM 0 HB3 ARG A 231 -7.873 9.573 -4.419 1.00 7.47 H new ATOM 0 HG2 ARG A 231 -4.847 9.409 -4.350 1.00 7.27 H new ATOM 0 HG3 ARG A 231 -5.857 7.986 -4.512 1.00 7.27 H new ATOM 0 HD2 ARG A 231 -6.986 9.273 -6.489 1.00 7.20 H new ATOM 0 HD3 ARG A 231 -5.584 10.322 -6.422 1.00 7.20 H new ATOM 0 HE ARG A 231 -5.572 7.414 -7.118 1.00 7.43 H new ATOM 0 HH11 ARG A 231 -3.890 10.518 -6.873 1.00 7.67 H new ATOM 0 HH12 ARG A 231 -2.514 9.976 -7.839 1.00 7.67 H new ATOM 0 HH21 ARG A 231 -3.791 6.733 -8.355 1.00 8.09 H new ATOM 0 HH22 ARG A 231 -2.458 7.849 -8.671 1.00 8.09 H new ATOM 1261 N LEU A 232 -8.629 11.921 -2.430 1.00 8.38 N ATOM 1262 CA LEU A 232 -9.929 12.519 -2.162 1.00 8.81 C ATOM 1263 C LEU A 232 -9.821 14.031 -2.003 1.00 9.30 C ATOM 1264 O LEU A 232 -10.453 14.788 -2.742 1.00 9.67 O ATOM 1265 CB LEU A 232 -10.543 11.907 -0.898 1.00 8.85 C ATOM 1266 CG LEU A 232 -11.547 10.772 -1.131 1.00 8.92 C ATOM 1267 CD1 LEU A 232 -12.770 11.292 -1.865 1.00 8.90 C ATOM 1268 CD2 LEU A 232 -10.905 9.631 -1.904 1.00 9.12 C ATOM 0 H LEU A 232 -8.189 11.492 -1.616 1.00 8.38 H new ATOM 0 HA LEU A 232 -10.574 12.311 -3.015 1.00 8.81 H new ATOM 0 HB2 LEU A 232 -9.736 11.530 -0.270 1.00 8.85 H new ATOM 0 HB3 LEU A 232 -11.041 12.699 -0.338 1.00 8.85 H new ATOM 0 HG LEU A 232 -11.861 10.388 -0.160 1.00 8.92 H new ATOM 0 HD11 LEU A 232 -13.474 10.475 -2.023 1.00 8.90 H new ATOM 0 HD12 LEU A 232 -13.247 12.072 -1.271 1.00 8.90 H new ATOM 0 HD13 LEU A 232 -12.469 11.703 -2.828 1.00 8.90 H new ATOM 0 HD21 LEU A 232 -11.637 8.838 -2.057 1.00 9.12 H new ATOM 0 HD22 LEU A 232 -10.558 9.996 -2.871 1.00 9.12 H new ATOM 0 HD23 LEU A 232 -10.059 9.240 -1.339 1.00 9.12 H new ATOM 1280 N GLN A 233 -9.011 14.466 -1.051 1.00 9.34 N ATOM 1281 CA GLN A 233 -8.839 15.885 -0.785 1.00 9.87 C ATOM 1282 C GLN A 233 -7.480 16.366 -1.267 1.00 9.87 C ATOM 1283 O GLN A 233 -6.441 15.964 -0.739 1.00 9.75 O ATOM 1284 CB GLN A 233 -9.000 16.169 0.707 1.00 10.25 C ATOM 1285 CG GLN A 233 -10.377 15.821 1.244 1.00 10.67 C ATOM 1286 CD GLN A 233 -11.488 16.482 0.452 1.00 11.24 C ATOM 1287 OE1 GLN A 233 -11.329 17.594 -0.059 1.00 11.55 O ATOM 1288 NE2 GLN A 233 -12.617 15.802 0.331 1.00 11.55 N ATOM 0 H GLN A 233 -8.461 13.854 -0.448 1.00 9.34 H new ATOM 0 HA GLN A 233 -9.609 16.429 -1.333 1.00 9.87 H new ATOM 0 HB2 GLN A 233 -8.250 15.604 1.260 1.00 10.25 H new ATOM 0 HB3 GLN A 233 -8.803 17.225 0.891 1.00 10.25 H new ATOM 0 HG2 GLN A 233 -10.511 14.740 1.220 1.00 10.67 H new ATOM 0 HG3 GLN A 233 -10.446 16.128 2.288 1.00 10.67 H new ATOM 0 HE21 GLN A 233 -12.710 14.885 0.768 1.00 11.55 H new ATOM 0 HE22 GLN A 233 -13.395 16.195 -0.200 1.00 11.55 H new ATOM 1297 N GLN A 234 -7.493 17.229 -2.269 1.00 10.20 N ATOM 1298 CA GLN A 234 -6.262 17.765 -2.826 1.00 10.43 C ATOM 1299 C GLN A 234 -5.711 18.876 -1.941 1.00 10.93 C ATOM 1300 O GLN A 234 -4.507 18.960 -1.714 1.00 11.18 O ATOM 1301 CB GLN A 234 -6.493 18.289 -4.246 1.00 10.71 C ATOM 1302 CG GLN A 234 -6.316 17.235 -5.328 1.00 10.40 C ATOM 1303 CD GLN A 234 -7.477 16.261 -5.407 1.00 10.40 C ATOM 1304 OE1 GLN A 234 -8.466 16.511 -6.095 1.00 10.46 O ATOM 1305 NE2 GLN A 234 -7.366 15.144 -4.709 1.00 10.55 N ATOM 0 H GLN A 234 -8.344 17.574 -2.714 1.00 10.20 H new ATOM 0 HA GLN A 234 -5.531 16.957 -2.868 1.00 10.43 H new ATOM 0 HB2 GLN A 234 -7.501 18.698 -4.312 1.00 10.71 H new ATOM 0 HB3 GLN A 234 -5.803 19.111 -4.436 1.00 10.71 H new ATOM 0 HG2 GLN A 234 -6.198 17.729 -6.292 1.00 10.40 H new ATOM 0 HG3 GLN A 234 -5.397 16.680 -5.140 1.00 10.40 H new ATOM 0 HE21 GLN A 234 -6.530 14.973 -4.150 1.00 10.55 H new ATOM 0 HE22 GLN A 234 -8.116 14.453 -4.729 1.00 10.55 H new ATOM 1314 N GLN A 235 -6.601 19.718 -1.434 1.00 11.20 N ATOM 1315 CA GLN A 235 -6.204 20.819 -0.569 1.00 11.76 C ATOM 1316 C GLN A 235 -6.634 20.533 0.864 1.00 11.96 C ATOM 1317 O GLN A 235 -7.461 19.657 1.110 1.00 12.27 O ATOM 1318 CB GLN A 235 -6.822 22.137 -1.044 1.00 12.22 C ATOM 1319 CG GLN A 235 -6.415 22.542 -2.454 1.00 12.26 C ATOM 1320 CD GLN A 235 -4.909 22.661 -2.624 1.00 12.74 C ATOM 1321 OE1 GLN A 235 -4.235 21.703 -3.003 1.00 13.00 O ATOM 1322 NE2 GLN A 235 -4.370 23.837 -2.348 1.00 13.02 N ATOM 0 H GLN A 235 -7.604 19.659 -1.608 1.00 11.20 H new ATOM 0 HA GLN A 235 -5.119 20.914 -0.610 1.00 11.76 H new ATOM 0 HB2 GLN A 235 -7.908 22.053 -1.001 1.00 12.22 H new ATOM 0 HB3 GLN A 235 -6.536 22.930 -0.353 1.00 12.22 H new ATOM 0 HG2 GLN A 235 -6.799 21.808 -3.162 1.00 12.26 H new ATOM 0 HG3 GLN A 235 -6.880 23.496 -2.701 1.00 12.26 H new ATOM 0 HE21 GLN A 235 -4.960 24.608 -2.036 1.00 13.02 H new ATOM 0 HE22 GLN A 235 -3.364 23.973 -2.447 1.00 13.02 H new ATOM 1331 N GLN A 236 -6.064 21.266 1.807 1.00 11.97 N ATOM 1332 CA GLN A 236 -6.392 21.086 3.211 1.00 12.36 C ATOM 1333 C GLN A 236 -6.977 22.366 3.792 1.00 12.79 C ATOM 1334 O GLN A 236 -6.470 23.462 3.546 1.00 12.91 O ATOM 1335 CB GLN A 236 -5.146 20.664 3.995 1.00 12.49 C ATOM 1336 CG GLN A 236 -5.431 20.297 5.445 1.00 12.78 C ATOM 1337 CD GLN A 236 -6.540 19.274 5.578 1.00 13.04 C ATOM 1338 OE1 GLN A 236 -7.712 19.627 5.715 1.00 13.08 O ATOM 1339 NE2 GLN A 236 -6.185 18.001 5.527 1.00 13.40 N ATOM 0 H GLN A 236 -5.371 21.992 1.625 1.00 11.97 H new ATOM 0 HA GLN A 236 -7.141 20.298 3.294 1.00 12.36 H new ATOM 0 HB2 GLN A 236 -4.686 19.811 3.497 1.00 12.49 H new ATOM 0 HB3 GLN A 236 -4.420 21.477 3.971 1.00 12.49 H new ATOM 0 HG2 GLN A 236 -4.523 19.905 5.902 1.00 12.78 H new ATOM 0 HG3 GLN A 236 -5.703 21.197 5.997 1.00 12.78 H new ATOM 0 HE21 GLN A 236 -5.203 17.750 5.413 1.00 13.40 H new ATOM 0 HE22 GLN A 236 -6.893 17.271 5.602 1.00 13.40 H new ATOM 1348 N ALA A 237 -8.052 22.224 4.553 1.00 13.20 N ATOM 1349 CA ALA A 237 -8.704 23.365 5.173 1.00 13.80 C ATOM 1350 C ALA A 237 -7.970 23.766 6.444 1.00 14.33 C ATOM 1351 O ALA A 237 -7.475 24.887 6.559 1.00 14.81 O ATOM 1352 CB ALA A 237 -10.159 23.048 5.477 1.00 14.21 C ATOM 0 H ALA A 237 -8.492 21.326 4.756 1.00 13.20 H new ATOM 0 HA ALA A 237 -8.674 24.202 4.475 1.00 13.80 H new ATOM 0 HB1 ALA A 237 -10.631 23.914 5.941 1.00 14.21 H new ATOM 0 HB2 ALA A 237 -10.679 22.804 4.551 1.00 14.21 H new ATOM 0 HB3 ALA A 237 -10.212 22.198 6.158 1.00 14.21 H new ATOM 1358 N GLN A 238 -7.881 22.837 7.386 1.00 14.40 N ATOM 1359 CA GLN A 238 -7.208 23.084 8.650 1.00 15.05 C ATOM 1360 C GLN A 238 -6.773 21.764 9.267 1.00 15.31 C ATOM 1361 O GLN A 238 -7.559 20.793 9.199 1.00 15.61 O ATOM 1362 CB GLN A 238 -8.128 23.840 9.613 1.00 15.30 C ATOM 1363 CG GLN A 238 -7.411 24.874 10.468 1.00 15.63 C ATOM 1364 CD GLN A 238 -7.619 26.291 9.967 1.00 15.81 C ATOM 1365 OE1 GLN A 238 -8.575 26.964 10.357 1.00 15.98 O ATOM 1366 NE2 GLN A 238 -6.729 26.757 9.104 1.00 15.93 N ATOM 1367 OXT GLN A 238 -5.653 21.695 9.818 1.00 15.35 O1- ATOM 0 H GLN A 238 -8.270 21.899 7.295 1.00 14.40 H new ATOM 0 HA GLN A 238 -6.328 23.700 8.464 1.00 15.05 H new ATOM 0 HB2 GLN A 238 -8.909 24.337 9.038 1.00 15.30 H new ATOM 0 HB3 GLN A 238 -8.622 23.122 10.267 1.00 15.30 H new ATOM 0 HG2 GLN A 238 -7.767 24.800 11.496 1.00 15.63 H new ATOM 0 HG3 GLN A 238 -6.344 24.651 10.483 1.00 15.63 H new ATOM 0 HE21 GLN A 238 -5.951 26.168 8.806 1.00 15.93 H new ATOM 0 HE22 GLN A 238 -6.821 27.705 8.738 1.00 15.93 H new TER 1376 GLN A 238 ATOM 1377 N SER B 101 -23.402 -28.080 -8.399 1.00 35.36 N ATOM 1378 CA SER B 101 -23.758 -27.645 -7.037 1.00 34.91 C ATOM 1379 C SER B 101 -22.666 -28.044 -6.050 1.00 34.43 C ATOM 1380 O SER B 101 -22.195 -29.185 -6.063 1.00 34.37 O ATOM 1381 CB SER B 101 -25.086 -28.285 -6.637 1.00 35.00 C ATOM 1382 OG SER B 101 -25.786 -28.742 -7.787 1.00 35.49 O ATOM 0 HA SER B 101 -23.856 -26.560 -7.020 1.00 34.91 H new ATOM 0 HB2 SER B 101 -24.905 -29.119 -5.959 1.00 35.00 H new ATOM 0 HB3 SER B 101 -25.696 -27.562 -6.096 1.00 35.00 H new ATOM 0 HG SER B 101 -25.211 -28.656 -8.576 1.00 35.49 H new ATOM 1390 N THR B 102 -22.256 -27.099 -5.217 1.00 34.15 N ATOM 1391 CA THR B 102 -21.237 -27.347 -4.217 1.00 33.76 C ATOM 1392 C THR B 102 -21.301 -26.286 -3.124 1.00 33.28 C ATOM 1393 O THR B 102 -21.500 -25.101 -3.401 1.00 33.22 O ATOM 1394 CB THR B 102 -19.814 -27.385 -4.832 1.00 33.83 C ATOM 1395 OG1 THR B 102 -18.850 -27.685 -3.814 1.00 34.21 O ATOM 1396 CG2 THR B 102 -19.459 -26.065 -5.507 1.00 33.72 C ATOM 0 H THR B 102 -22.620 -26.146 -5.217 1.00 34.15 H new ATOM 0 HA THR B 102 -21.438 -28.328 -3.786 1.00 33.76 H new ATOM 0 HB THR B 102 -19.800 -28.166 -5.593 1.00 33.83 H new ATOM 0 HG1 THR B 102 -18.320 -26.884 -3.620 1.00 34.21 H new ATOM 0 HG21 THR B 102 -18.455 -26.129 -5.926 1.00 33.72 H new ATOM 0 HG22 THR B 102 -20.173 -25.861 -6.305 1.00 33.72 H new ATOM 0 HG23 THR B 102 -19.495 -25.260 -4.773 1.00 33.72 H new ATOM 1404 N ASP B 103 -21.179 -26.725 -1.884 1.00 33.03 N ATOM 1405 CA ASP B 103 -21.203 -25.824 -0.743 1.00 32.64 C ATOM 1406 C ASP B 103 -20.003 -26.104 0.144 1.00 32.11 C ATOM 1407 O ASP B 103 -19.167 -25.231 0.378 1.00 31.91 O ATOM 1408 CB ASP B 103 -22.500 -25.983 0.059 1.00 32.81 C ATOM 1409 CG ASP B 103 -22.467 -25.214 1.366 1.00 32.63 C ATOM 1410 OD1 ASP B 103 -22.615 -23.975 1.337 1.00 32.53 O1- ATOM 1411 OD2 ASP B 103 -22.271 -25.846 2.425 1.00 32.67 O ATOM 0 H ASP B 103 -21.061 -27.708 -1.639 1.00 33.03 H new ATOM 0 HA ASP B 103 -21.159 -24.798 -1.108 1.00 32.64 H new ATOM 0 HB2 ASP B 103 -23.341 -25.637 -0.542 1.00 32.81 H new ATOM 0 HB3 ASP B 103 -22.669 -27.040 0.266 1.00 32.81 H new ATOM 1416 N SER B 104 -19.924 -27.335 0.626 1.00 31.97 N ATOM 1417 CA SER B 104 -18.822 -27.755 1.477 1.00 31.54 C ATOM 1418 C SER B 104 -18.105 -28.954 0.859 1.00 31.14 C ATOM 1419 O SER B 104 -16.938 -29.212 1.147 1.00 31.23 O ATOM 1420 CB SER B 104 -19.336 -28.107 2.876 1.00 31.91 C ATOM 1421 OG SER B 104 -20.094 -27.038 3.429 1.00 32.43 O ATOM 0 H SER B 104 -20.614 -28.063 0.441 1.00 31.97 H new ATOM 0 HA SER B 104 -18.114 -26.931 1.563 1.00 31.54 H new ATOM 0 HB2 SER B 104 -19.952 -29.005 2.825 1.00 31.91 H new ATOM 0 HB3 SER B 104 -18.494 -28.335 3.529 1.00 31.91 H new ATOM 0 HG SER B 104 -20.897 -26.891 2.887 1.00 32.43 H new ATOM 1427 N THR B 105 -18.813 -29.667 -0.003 1.00 30.79 N ATOM 1428 CA THR B 105 -18.261 -30.830 -0.670 1.00 30.46 C ATOM 1429 C THR B 105 -18.223 -30.609 -2.180 1.00 29.85 C ATOM 1430 O THR B 105 -19.271 -30.582 -2.835 1.00 29.61 O ATOM 1431 CB THR B 105 -19.094 -32.089 -0.364 1.00 30.44 C ATOM 1432 OG1 THR B 105 -19.390 -32.151 1.039 1.00 30.93 O ATOM 1433 CG2 THR B 105 -18.351 -33.346 -0.786 1.00 30.50 C ATOM 0 H THR B 105 -19.778 -29.456 -0.257 1.00 30.79 H new ATOM 0 HA THR B 105 -17.248 -30.976 -0.296 1.00 30.46 H new ATOM 0 HB THR B 105 -20.024 -32.029 -0.930 1.00 30.44 H new ATOM 0 HG1 THR B 105 -19.921 -32.953 1.226 1.00 30.93 H new ATOM 0 HG21 THR B 105 -18.959 -34.222 -0.560 1.00 30.50 H new ATOM 0 HG22 THR B 105 -18.153 -33.309 -1.857 1.00 30.50 H new ATOM 0 HG23 THR B 105 -17.407 -33.410 -0.244 1.00 30.50 H new ATOM 1441 N PRO B 106 -17.016 -30.442 -2.747 1.00 29.68 N ATOM 1442 CA PRO B 106 -16.834 -30.221 -4.187 1.00 29.20 C ATOM 1443 C PRO B 106 -17.312 -31.412 -5.011 1.00 28.60 C ATOM 1444 O PRO B 106 -16.567 -32.374 -5.237 1.00 28.39 O ATOM 1445 CB PRO B 106 -15.320 -30.038 -4.341 1.00 29.37 C ATOM 1446 CG PRO B 106 -14.809 -29.745 -2.974 1.00 29.85 C ATOM 1447 CD PRO B 106 -15.734 -30.446 -2.027 1.00 30.05 C ATOM 0 HA PRO B 106 -17.412 -29.368 -4.544 1.00 29.20 H new ATOM 0 HB2 PRO B 106 -14.856 -30.937 -4.748 1.00 29.37 H new ATOM 0 HB3 PRO B 106 -15.092 -29.223 -5.027 1.00 29.37 H new ATOM 0 HG2 PRO B 106 -13.786 -30.102 -2.855 1.00 29.85 H new ATOM 0 HG3 PRO B 106 -14.796 -28.672 -2.784 1.00 29.85 H new ATOM 0 HD2 PRO B 106 -15.397 -31.460 -1.811 1.00 30.05 H new ATOM 0 HD3 PRO B 106 -15.806 -29.923 -1.073 1.00 30.05 H new ATOM 1455 N MET B 107 -18.562 -31.357 -5.441 1.00 28.40 N ATOM 1456 CA MET B 107 -19.143 -32.429 -6.231 1.00 27.90 C ATOM 1457 C MET B 107 -18.717 -32.314 -7.691 1.00 27.40 C ATOM 1458 O MET B 107 -17.788 -32.993 -8.125 1.00 27.53 O ATOM 1459 CB MET B 107 -20.670 -32.412 -6.104 1.00 28.12 C ATOM 1460 CG MET B 107 -21.359 -33.558 -6.826 1.00 28.42 C ATOM 1461 SD MET B 107 -23.050 -33.827 -6.253 1.00 28.81 S ATOM 1462 CE MET B 107 -23.739 -32.178 -6.388 1.00 29.25 C ATOM 0 H MET B 107 -19.195 -30.579 -5.255 1.00 28.40 H new ATOM 0 HA MET B 107 -18.776 -33.382 -5.849 1.00 27.90 H new ATOM 0 HB2 MET B 107 -20.938 -32.447 -5.048 1.00 28.12 H new ATOM 0 HB3 MET B 107 -21.047 -31.468 -6.497 1.00 28.12 H new ATOM 0 HG2 MET B 107 -21.371 -33.353 -7.896 1.00 28.42 H new ATOM 0 HG3 MET B 107 -20.782 -34.471 -6.683 1.00 28.42 H new ATOM 0 HE1 MET B 107 -24.827 -32.240 -6.417 1.00 29.25 H new ATOM 0 HE2 MET B 107 -23.432 -31.584 -5.527 1.00 29.25 H new ATOM 0 HE3 MET B 107 -23.377 -31.706 -7.302 1.00 29.25 H new ATOM 1472 N PHE B 108 -19.381 -31.443 -8.438 1.00 26.90 N ATOM 1473 CA PHE B 108 -19.056 -31.248 -9.845 1.00 26.45 C ATOM 1474 C PHE B 108 -18.040 -30.128 -9.993 1.00 25.50 C ATOM 1475 O PHE B 108 -17.074 -30.239 -10.751 1.00 25.24 O ATOM 1476 CB PHE B 108 -20.317 -30.930 -10.655 1.00 26.78 C ATOM 1477 CG PHE B 108 -21.295 -32.071 -10.720 1.00 27.55 C ATOM 1478 CD1 PHE B 108 -20.998 -33.212 -11.447 1.00 27.83 C ATOM 1479 CD2 PHE B 108 -22.512 -31.997 -10.062 1.00 28.09 C ATOM 1480 CE1 PHE B 108 -21.892 -34.261 -11.511 1.00 28.61 C ATOM 1481 CE2 PHE B 108 -23.412 -33.045 -10.121 1.00 28.87 C ATOM 1482 CZ PHE B 108 -23.101 -34.177 -10.848 1.00 29.12 C ATOM 0 H PHE B 108 -20.146 -30.862 -8.095 1.00 26.90 H new ATOM 0 HA PHE B 108 -18.626 -32.172 -10.232 1.00 26.45 H new ATOM 0 HB2 PHE B 108 -20.811 -30.063 -10.216 1.00 26.78 H new ATOM 0 HB3 PHE B 108 -20.027 -30.653 -11.669 1.00 26.78 H new ATOM 0 HD1 PHE B 108 -20.056 -33.281 -11.970 1.00 27.83 H new ATOM 0 HD2 PHE B 108 -22.760 -31.111 -9.497 1.00 28.09 H new ATOM 0 HE1 PHE B 108 -21.647 -35.147 -12.079 1.00 28.61 H new ATOM 0 HE2 PHE B 108 -24.356 -32.978 -9.600 1.00 28.87 H new ATOM 0 HZ PHE B 108 -23.803 -34.996 -10.898 1.00 29.12 H new ATOM 1492 N GLU B 109 -18.269 -29.048 -9.266 1.00 25.08 N ATOM 1493 CA GLU B 109 -17.380 -27.903 -9.294 1.00 24.24 C ATOM 1494 C GLU B 109 -16.322 -28.032 -8.208 1.00 23.47 C ATOM 1495 O GLU B 109 -16.563 -28.645 -7.166 1.00 23.64 O ATOM 1496 CB GLU B 109 -18.166 -26.600 -9.104 1.00 24.33 C ATOM 1497 CG GLU B 109 -19.408 -26.500 -9.975 1.00 24.89 C ATOM 1498 CD GLU B 109 -20.665 -26.932 -9.247 1.00 25.22 C ATOM 1499 OE1 GLU B 109 -20.767 -28.114 -8.860 1.00 25.44 O1- ATOM 1500 OE2 GLU B 109 -21.568 -26.092 -9.060 1.00 25.35 O ATOM 0 H GLU B 109 -19.071 -28.942 -8.644 1.00 25.08 H new ATOM 0 HA GLU B 109 -16.891 -27.875 -10.268 1.00 24.24 H new ATOM 0 HB2 GLU B 109 -18.459 -26.513 -8.058 1.00 24.33 H new ATOM 0 HB3 GLU B 109 -17.511 -25.756 -9.323 1.00 24.33 H new ATOM 0 HG2 GLU B 109 -19.526 -25.472 -10.317 1.00 24.89 H new ATOM 0 HG3 GLU B 109 -19.276 -27.118 -10.863 1.00 24.89 H new ATOM 1507 N TYR B 110 -15.154 -27.466 -8.464 1.00 22.72 N ATOM 1508 CA TYR B 110 -14.054 -27.506 -7.518 1.00 22.00 C ATOM 1509 C TYR B 110 -13.585 -26.089 -7.229 1.00 21.09 C ATOM 1510 O TYR B 110 -13.003 -25.431 -8.095 1.00 20.78 O ATOM 1511 CB TYR B 110 -12.901 -28.350 -8.068 1.00 21.98 C ATOM 1512 CG TYR B 110 -13.227 -29.822 -8.192 1.00 22.41 C ATOM 1513 CD1 TYR B 110 -13.031 -30.683 -7.123 1.00 22.67 C ATOM 1514 CD2 TYR B 110 -13.737 -30.347 -9.375 1.00 22.68 C ATOM 1515 CE1 TYR B 110 -13.323 -32.029 -7.230 1.00 23.17 C ATOM 1516 CE2 TYR B 110 -14.031 -31.691 -9.489 1.00 23.17 C ATOM 1517 CZ TYR B 110 -13.826 -32.526 -8.414 1.00 23.41 C ATOM 1518 OH TYR B 110 -14.117 -33.866 -8.527 1.00 24.00 O ATOM 0 H TYR B 110 -14.943 -26.969 -9.329 1.00 22.72 H new ATOM 0 HA TYR B 110 -14.397 -27.967 -6.592 1.00 22.00 H new ATOM 0 HB2 TYR B 110 -12.618 -27.966 -9.048 1.00 21.98 H new ATOM 0 HB3 TYR B 110 -12.035 -28.233 -7.417 1.00 21.98 H new ATOM 0 HD1 TYR B 110 -12.644 -30.295 -6.192 1.00 22.67 H new ATOM 0 HD2 TYR B 110 -13.906 -29.693 -10.218 1.00 22.68 H new ATOM 0 HE1 TYR B 110 -13.158 -32.689 -6.391 1.00 23.17 H new ATOM 0 HE2 TYR B 110 -14.420 -32.085 -10.416 1.00 23.17 H new ATOM 0 HH TYR B 110 -14.464 -34.051 -9.425 1.00 24.00 H new ATOM 1528 N GLU B 111 -13.862 -25.619 -6.026 1.00 20.77 N ATOM 1529 CA GLU B 111 -13.488 -24.272 -5.625 1.00 19.99 C ATOM 1530 C GLU B 111 -12.014 -24.208 -5.248 1.00 19.16 C ATOM 1531 O GLU B 111 -11.507 -25.060 -4.518 1.00 19.28 O ATOM 1532 CB GLU B 111 -14.352 -23.800 -4.453 1.00 20.31 C ATOM 1533 CG GLU B 111 -15.781 -24.316 -4.503 1.00 20.68 C ATOM 1534 CD GLU B 111 -15.968 -25.594 -3.706 1.00 20.91 C ATOM 1535 OE1 GLU B 111 -15.165 -26.538 -3.883 1.00 21.02 O1- ATOM 1536 OE2 GLU B 111 -16.909 -25.648 -2.884 1.00 21.10 O ATOM 0 H GLU B 111 -14.347 -26.153 -5.305 1.00 20.77 H new ATOM 0 HA GLU B 111 -13.656 -23.609 -6.474 1.00 19.99 H new ATOM 0 HB2 GLU B 111 -13.891 -24.123 -3.520 1.00 20.31 H new ATOM 0 HB3 GLU B 111 -14.368 -22.710 -4.441 1.00 20.31 H new ATOM 0 HG2 GLU B 111 -16.454 -23.550 -4.117 1.00 20.68 H new ATOM 0 HG3 GLU B 111 -16.063 -24.495 -5.541 1.00 20.68 H new ATOM 1543 N ASN B 112 -11.332 -23.195 -5.762 1.00 18.42 N ATOM 1544 CA ASN B 112 -9.913 -22.999 -5.489 1.00 17.65 C ATOM 1545 C ASN B 112 -9.649 -21.531 -5.168 1.00 16.89 C ATOM 1546 O ASN B 112 -9.667 -20.683 -6.060 1.00 16.78 O ATOM 1547 CB ASN B 112 -9.076 -23.444 -6.694 1.00 17.58 C ATOM 1548 CG ASN B 112 -7.584 -23.327 -6.451 1.00 17.23 C ATOM 1549 OD1 ASN B 112 -7.112 -23.447 -5.319 1.00 17.01 O ATOM 1550 ND2 ASN B 112 -6.831 -23.088 -7.513 1.00 17.33 N ATOM 0 H ASN B 112 -11.741 -22.490 -6.375 1.00 18.42 H new ATOM 0 HA ASN B 112 -9.627 -23.605 -4.629 1.00 17.65 H new ATOM 0 HB2 ASN B 112 -9.319 -24.478 -6.937 1.00 17.58 H new ATOM 0 HB3 ASN B 112 -9.346 -22.841 -7.561 1.00 17.58 H new ATOM 0 HD21 ASN B 112 -5.820 -22.996 -7.411 1.00 17.33 H new ATOM 0 HD22 ASN B 112 -7.262 -22.995 -8.433 1.00 17.33 H new ATOM 1557 N LEU B 113 -9.424 -21.234 -3.896 1.00 16.49 N ATOM 1558 CA LEU B 113 -9.183 -19.863 -3.459 1.00 15.86 C ATOM 1559 C LEU B 113 -7.980 -19.790 -2.526 1.00 15.11 C ATOM 1560 O LEU B 113 -7.320 -20.799 -2.267 1.00 15.28 O ATOM 1561 CB LEU B 113 -10.421 -19.321 -2.738 1.00 16.39 C ATOM 1562 CG LEU B 113 -11.680 -19.203 -3.595 1.00 16.71 C ATOM 1563 CD1 LEU B 113 -12.889 -18.912 -2.719 1.00 17.03 C ATOM 1564 CD2 LEU B 113 -11.513 -18.116 -4.647 1.00 17.03 C ATOM 0 H LEU B 113 -9.403 -21.925 -3.146 1.00 16.49 H new ATOM 0 HA LEU B 113 -8.976 -19.257 -4.341 1.00 15.86 H new ATOM 0 HB2 LEU B 113 -10.639 -19.969 -1.890 1.00 16.39 H new ATOM 0 HB3 LEU B 113 -10.183 -18.337 -2.334 1.00 16.39 H new ATOM 0 HG LEU B 113 -11.839 -20.153 -4.106 1.00 16.71 H new ATOM 0 HD11 LEU B 113 -13.779 -18.830 -3.343 1.00 17.03 H new ATOM 0 HD12 LEU B 113 -13.022 -19.722 -2.001 1.00 17.03 H new ATOM 0 HD13 LEU B 113 -12.734 -17.975 -2.184 1.00 17.03 H new ATOM 0 HD21 LEU B 113 -12.420 -18.048 -5.247 1.00 17.03 H new ATOM 0 HD22 LEU B 113 -11.330 -17.160 -4.156 1.00 17.03 H new ATOM 0 HD23 LEU B 113 -10.669 -18.361 -5.292 1.00 17.03 H new ATOM 1576 N GLU B 114 -7.712 -18.592 -2.022 1.00 14.37 N ATOM 1577 CA GLU B 114 -6.601 -18.370 -1.108 1.00 13.68 C ATOM 1578 C GLU B 114 -7.039 -18.662 0.330 1.00 13.12 C ATOM 1579 O GLU B 114 -8.025 -19.367 0.555 1.00 13.03 O ATOM 1580 CB GLU B 114 -6.096 -16.923 -1.237 1.00 13.43 C ATOM 1581 CG GLU B 114 -4.600 -16.765 -0.995 1.00 13.57 C ATOM 1582 CD GLU B 114 -4.284 -15.782 0.116 1.00 13.68 C ATOM 1583 OE1 GLU B 114 -4.386 -16.170 1.299 1.00 13.80 O1- ATOM 1584 OE2 GLU B 114 -3.924 -14.627 -0.188 1.00 13.83 O ATOM 0 H GLU B 114 -8.254 -17.754 -2.233 1.00 14.37 H new ATOM 0 HA GLU B 114 -5.786 -19.046 -1.365 1.00 13.68 H new ATOM 0 HB2 GLU B 114 -6.333 -16.554 -2.235 1.00 13.43 H new ATOM 0 HB3 GLU B 114 -6.637 -16.296 -0.528 1.00 13.43 H new ATOM 0 HG2 GLU B 114 -4.172 -17.736 -0.747 1.00 13.57 H new ATOM 0 HG3 GLU B 114 -4.121 -16.432 -1.916 1.00 13.57 H new ATOM 1591 N ASP B 115 -6.312 -18.126 1.299 1.00 12.91 N ATOM 1592 CA ASP B 115 -6.641 -18.336 2.697 1.00 12.53 C ATOM 1593 C ASP B 115 -7.094 -17.030 3.330 1.00 11.84 C ATOM 1594 O ASP B 115 -8.254 -16.891 3.722 1.00 11.73 O ATOM 1595 CB ASP B 115 -5.439 -18.898 3.459 1.00 13.18 C ATOM 1596 CG ASP B 115 -5.758 -19.167 4.918 1.00 13.20 C ATOM 1597 OD1 ASP B 115 -6.709 -19.928 5.195 1.00 13.29 O1- ATOM 1598 OD2 ASP B 115 -5.061 -18.610 5.796 1.00 13.30 O ATOM 0 H ASP B 115 -5.490 -17.543 1.141 1.00 12.91 H new ATOM 0 HA ASP B 115 -7.454 -19.060 2.753 1.00 12.53 H new ATOM 0 HB2 ASP B 115 -5.111 -19.823 2.985 1.00 13.18 H new ATOM 0 HB3 ASP B 115 -4.609 -18.194 3.394 1.00 13.18 H new ATOM 1603 N ASN B 116 -6.176 -16.075 3.417 1.00 11.51 N ATOM 1604 CA ASN B 116 -6.479 -14.775 3.999 1.00 10.99 C ATOM 1605 C ASN B 116 -5.672 -13.672 3.316 1.00 10.00 C ATOM 1606 O ASN B 116 -6.229 -12.800 2.652 1.00 9.54 O ATOM 1607 CB ASN B 116 -6.201 -14.775 5.505 1.00 11.43 C ATOM 1608 CG ASN B 116 -6.423 -13.410 6.139 1.00 11.80 C ATOM 1609 OD1 ASN B 116 -7.552 -12.924 6.210 1.00 12.04 O ATOM 1610 ND2 ASN B 116 -5.349 -12.784 6.604 1.00 12.05 N ATOM 0 H ASN B 116 -5.215 -16.177 3.091 1.00 11.51 H new ATOM 0 HA ASN B 116 -7.539 -14.578 3.841 1.00 10.99 H new ATOM 0 HB2 ASN B 116 -6.847 -15.507 5.990 1.00 11.43 H new ATOM 0 HB3 ASN B 116 -5.173 -15.091 5.681 1.00 11.43 H new ATOM 0 HD21 ASN B 116 -5.442 -11.866 7.039 1.00 12.05 H new ATOM 0 HD22 ASN B 116 -4.430 -13.221 6.526 1.00 12.05 H new ATOM 1617 N SER B 117 -4.356 -13.714 3.490 1.00 9.85 N ATOM 1618 CA SER B 117 -3.465 -12.719 2.906 1.00 9.09 C ATOM 1619 C SER B 117 -2.069 -13.310 2.703 1.00 8.48 C ATOM 1620 O SER B 117 -1.061 -12.727 3.113 1.00 7.94 O ATOM 1621 CB SER B 117 -3.401 -11.483 3.811 1.00 9.58 C ATOM 1622 OG SER B 117 -4.669 -10.853 3.899 1.00 10.42 O ATOM 0 H SER B 117 -3.880 -14.433 4.035 1.00 9.85 H new ATOM 0 HA SER B 117 -3.854 -12.421 1.933 1.00 9.09 H new ATOM 0 HB2 SER B 117 -3.065 -11.773 4.806 1.00 9.58 H new ATOM 0 HB3 SER B 117 -2.667 -10.779 3.420 1.00 9.58 H new ATOM 0 HG SER B 117 -5.321 -11.355 3.368 1.00 10.42 H new ATOM 1628 N LYS B 118 -2.024 -14.474 2.064 1.00 8.71 N ATOM 1629 CA LYS B 118 -0.768 -15.176 1.807 1.00 8.32 C ATOM 1630 C LYS B 118 0.172 -14.365 0.916 1.00 7.50 C ATOM 1631 O LYS B 118 1.387 -14.574 0.942 1.00 7.07 O ATOM 1632 CB LYS B 118 -1.047 -16.531 1.156 1.00 9.09 C ATOM 1633 CG LYS B 118 -1.619 -17.565 2.111 1.00 9.49 C ATOM 1634 CD LYS B 118 -1.730 -18.929 1.449 1.00 10.17 C ATOM 1635 CE LYS B 118 -1.806 -20.046 2.478 1.00 10.68 C ATOM 1636 NZ LYS B 118 -0.670 -19.999 3.440 1.00 11.16 N1+ ATOM 0 H LYS B 118 -2.850 -14.956 1.711 1.00 8.71 H new ATOM 0 HA LYS B 118 -0.275 -15.320 2.769 1.00 8.32 H new ATOM 0 HB2 LYS B 118 -1.743 -16.390 0.329 1.00 9.09 H new ATOM 0 HB3 LYS B 118 -0.121 -16.917 0.730 1.00 9.09 H new ATOM 0 HG2 LYS B 118 -0.984 -17.638 2.994 1.00 9.49 H new ATOM 0 HG3 LYS B 118 -2.603 -17.243 2.452 1.00 9.49 H new ATOM 0 HD2 LYS B 118 -2.617 -18.956 0.816 1.00 10.17 H new ATOM 0 HD3 LYS B 118 -0.870 -19.090 0.799 1.00 10.17 H new ATOM 0 HE2 LYS B 118 -2.746 -19.972 3.024 1.00 10.68 H new ATOM 0 HE3 LYS B 118 -1.809 -21.009 1.968 1.00 10.68 H new ATOM 0 HZ1 LYS B 118 -0.539 -20.938 3.868 1.00 11.16 H new ATOM 0 HZ2 LYS B 118 0.198 -19.723 2.939 1.00 11.16 H new ATOM 0 HZ3 LYS B 118 -0.875 -19.304 4.186 1.00 11.16 H new ATOM 1650 N GLU B 119 -0.386 -13.441 0.134 1.00 7.48 N ATOM 1651 CA GLU B 119 0.412 -12.608 -0.763 1.00 6.99 C ATOM 1652 C GLU B 119 1.481 -11.849 0.020 1.00 6.13 C ATOM 1653 O GLU B 119 2.656 -11.864 -0.348 1.00 5.77 O ATOM 1654 CB GLU B 119 -0.479 -11.623 -1.534 1.00 7.65 C ATOM 1655 CG GLU B 119 0.292 -10.706 -2.475 1.00 8.43 C ATOM 1656 CD GLU B 119 -0.579 -9.640 -3.120 1.00 9.01 C ATOM 1657 OE1 GLU B 119 -1.544 -9.175 -2.472 1.00 9.37 O1- ATOM 1658 OE2 GLU B 119 -0.300 -9.264 -4.285 1.00 9.34 O ATOM 0 H GLU B 119 -1.388 -13.251 0.104 1.00 7.48 H new ATOM 0 HA GLU B 119 0.903 -13.263 -1.483 1.00 6.99 H new ATOM 0 HB2 GLU B 119 -1.213 -12.186 -2.110 1.00 7.65 H new ATOM 0 HB3 GLU B 119 -1.033 -11.013 -0.820 1.00 7.65 H new ATOM 0 HG2 GLU B 119 1.097 -10.222 -1.922 1.00 8.43 H new ATOM 0 HG3 GLU B 119 0.758 -11.307 -3.256 1.00 8.43 H new ATOM 1665 N TRP B 120 1.068 -11.217 1.112 1.00 6.01 N ATOM 1666 CA TRP B 120 1.983 -10.448 1.952 1.00 5.38 C ATOM 1667 C TRP B 120 3.063 -11.344 2.553 1.00 4.90 C ATOM 1668 O TRP B 120 4.251 -11.024 2.504 1.00 4.43 O ATOM 1669 CB TRP B 120 1.209 -9.744 3.075 1.00 5.80 C ATOM 1670 CG TRP B 120 2.054 -8.813 3.898 1.00 5.98 C ATOM 1671 CD1 TRP B 120 2.696 -9.103 5.069 1.00 6.39 C ATOM 1672 CD2 TRP B 120 2.338 -7.438 3.616 1.00 6.18 C ATOM 1673 NE1 TRP B 120 3.369 -7.993 5.526 1.00 6.78 N ATOM 1674 CE2 TRP B 120 3.165 -6.960 4.650 1.00 6.64 C ATOM 1675 CE3 TRP B 120 1.979 -6.564 2.583 1.00 6.35 C ATOM 1676 CZ2 TRP B 120 3.633 -5.648 4.682 1.00 7.17 C ATOM 1677 CZ3 TRP B 120 2.443 -5.265 2.618 1.00 6.93 C ATOM 1678 CH2 TRP B 120 3.262 -4.818 3.660 1.00 7.28 C ATOM 0 H TRP B 120 0.102 -11.221 1.439 1.00 6.01 H new ATOM 0 HA TRP B 120 2.466 -9.700 1.323 1.00 5.38 H new ATOM 0 HB2 TRP B 120 0.384 -9.182 2.638 1.00 5.80 H new ATOM 0 HB3 TRP B 120 0.770 -10.497 3.730 1.00 5.80 H new ATOM 0 HD1 TRP B 120 2.678 -10.063 5.564 1.00 6.39 H new ATOM 0 HE1 TRP B 120 3.928 -7.947 6.378 1.00 6.78 H new ATOM 0 HE3 TRP B 120 1.350 -6.901 1.773 1.00 6.35 H new ATOM 0 HZ2 TRP B 120 4.266 -5.299 5.485 1.00 7.17 H new ATOM 0 HZ3 TRP B 120 2.169 -4.582 1.828 1.00 6.93 H new ATOM 0 HH2 TRP B 120 3.609 -3.795 3.658 1.00 7.28 H new ATOM 1689 N THR B 121 2.646 -12.482 3.093 1.00 5.33 N ATOM 1690 CA THR B 121 3.563 -13.424 3.725 1.00 5.34 C ATOM 1691 C THR B 121 4.560 -14.023 2.730 1.00 5.03 C ATOM 1692 O THR B 121 5.649 -14.455 3.115 1.00 5.08 O ATOM 1693 CB THR B 121 2.782 -14.560 4.403 1.00 6.28 C ATOM 1694 OG1 THR B 121 1.464 -14.104 4.744 1.00 6.81 O ATOM 1695 CG2 THR B 121 3.498 -15.043 5.658 1.00 6.77 C ATOM 0 H THR B 121 1.670 -12.777 3.106 1.00 5.33 H new ATOM 0 HA THR B 121 4.126 -12.862 4.470 1.00 5.34 H new ATOM 0 HB THR B 121 2.714 -15.394 3.704 1.00 6.28 H new ATOM 0 HG1 THR B 121 0.968 -14.831 5.175 1.00 6.81 H new ATOM 0 HG21 THR B 121 2.924 -15.847 6.118 1.00 6.77 H new ATOM 0 HG22 THR B 121 4.489 -15.411 5.393 1.00 6.77 H new ATOM 0 HG23 THR B 121 3.594 -14.217 6.363 1.00 6.77 H new ATOM 1703 N SER B 122 4.203 -14.027 1.452 1.00 5.01 N ATOM 1704 CA SER B 122 5.073 -14.582 0.417 1.00 4.99 C ATOM 1705 C SER B 122 6.365 -13.772 0.278 1.00 4.55 C ATOM 1706 O SER B 122 7.400 -14.300 -0.143 1.00 4.76 O ATOM 1707 CB SER B 122 4.336 -14.636 -0.921 1.00 5.61 C ATOM 1708 OG SER B 122 3.187 -15.460 -0.835 1.00 6.23 O ATOM 0 H SER B 122 3.319 -13.654 1.105 1.00 5.01 H new ATOM 0 HA SER B 122 5.344 -15.595 0.716 1.00 4.99 H new ATOM 0 HB2 SER B 122 4.044 -13.629 -1.220 1.00 5.61 H new ATOM 0 HB3 SER B 122 5.004 -15.017 -1.693 1.00 5.61 H new ATOM 0 HG SER B 122 2.502 -15.011 -0.296 1.00 6.23 H new ATOM 1714 N LEU B 123 6.312 -12.502 0.673 1.00 4.24 N ATOM 1715 CA LEU B 123 7.474 -11.618 0.586 1.00 4.22 C ATOM 1716 C LEU B 123 8.473 -11.921 1.699 1.00 4.10 C ATOM 1717 O LEU B 123 9.561 -11.341 1.761 1.00 4.50 O ATOM 1718 CB LEU B 123 7.035 -10.150 0.652 1.00 4.40 C ATOM 1719 CG LEU B 123 6.543 -9.547 -0.671 1.00 5.14 C ATOM 1720 CD1 LEU B 123 5.249 -10.201 -1.129 1.00 5.74 C ATOM 1721 CD2 LEU B 123 6.351 -8.046 -0.531 1.00 5.71 C ATOM 0 H LEU B 123 5.476 -12.061 1.057 1.00 4.24 H new ATOM 0 HA LEU B 123 7.964 -11.795 -0.371 1.00 4.22 H new ATOM 0 HB2 LEU B 123 6.238 -10.060 1.391 1.00 4.40 H new ATOM 0 HB3 LEU B 123 7.873 -9.554 1.013 1.00 4.40 H new ATOM 0 HG LEU B 123 7.304 -9.738 -1.428 1.00 5.14 H new ATOM 0 HD11 LEU B 123 4.927 -9.752 -2.068 1.00 5.74 H new ATOM 0 HD12 LEU B 123 5.413 -11.269 -1.275 1.00 5.74 H new ATOM 0 HD13 LEU B 123 4.478 -10.052 -0.373 1.00 5.74 H new ATOM 0 HD21 LEU B 123 6.002 -7.634 -1.478 1.00 5.71 H new ATOM 0 HD22 LEU B 123 5.614 -7.844 0.246 1.00 5.71 H new ATOM 0 HD23 LEU B 123 7.299 -7.582 -0.261 1.00 5.71 H new ATOM 1733 N PHE B 124 8.094 -12.836 2.578 1.00 4.01 N ATOM 1734 CA PHE B 124 8.940 -13.236 3.690 1.00 4.44 C ATOM 1735 C PHE B 124 9.278 -14.716 3.572 1.00 4.95 C ATOM 1736 O PHE B 124 9.624 -15.367 4.556 1.00 5.55 O ATOM 1737 CB PHE B 124 8.240 -12.958 5.027 1.00 4.64 C ATOM 1738 CG PHE B 124 7.872 -11.511 5.229 1.00 4.77 C ATOM 1739 CD1 PHE B 124 6.690 -11.003 4.716 1.00 5.23 C ATOM 1740 CD2 PHE B 124 8.712 -10.660 5.928 1.00 4.93 C ATOM 1741 CE1 PHE B 124 6.351 -9.677 4.898 1.00 5.76 C ATOM 1742 CE2 PHE B 124 8.380 -9.331 6.113 1.00 5.43 C ATOM 1743 CZ PHE B 124 7.196 -8.842 5.596 1.00 5.82 C ATOM 0 H PHE B 124 7.197 -13.319 2.541 1.00 4.01 H new ATOM 0 HA PHE B 124 9.861 -12.654 3.658 1.00 4.44 H new ATOM 0 HB2 PHE B 124 7.337 -13.565 5.087 1.00 4.64 H new ATOM 0 HB3 PHE B 124 8.892 -13.275 5.841 1.00 4.64 H new ATOM 0 HD1 PHE B 124 6.025 -11.653 4.166 1.00 5.23 H new ATOM 0 HD2 PHE B 124 9.638 -11.040 6.334 1.00 4.93 H new ATOM 0 HE1 PHE B 124 5.425 -9.295 4.494 1.00 5.76 H new ATOM 0 HE2 PHE B 124 9.044 -8.677 6.660 1.00 5.43 H new ATOM 0 HZ PHE B 124 6.932 -7.804 5.739 1.00 5.82 H new ATOM 1753 N ASP B 125 9.169 -15.241 2.355 1.00 4.98 N ATOM 1754 CA ASP B 125 9.459 -16.651 2.102 1.00 5.65 C ATOM 1755 C ASP B 125 10.104 -16.855 0.733 1.00 5.72 C ATOM 1756 O ASP B 125 11.014 -17.669 0.577 1.00 6.24 O ATOM 1757 CB ASP B 125 8.181 -17.482 2.205 1.00 5.98 C ATOM 1758 CG ASP B 125 8.459 -18.970 2.247 1.00 6.71 C ATOM 1759 OD1 ASP B 125 9.225 -19.412 3.128 1.00 7.12 O1- ATOM 1760 OD2 ASP B 125 7.894 -19.709 1.408 1.00 7.13 O ATOM 0 H ASP B 125 8.883 -14.714 1.530 1.00 4.98 H new ATOM 0 HA ASP B 125 10.167 -16.983 2.861 1.00 5.65 H new ATOM 0 HB2 ASP B 125 7.634 -17.192 3.102 1.00 5.98 H new ATOM 0 HB3 ASP B 125 7.537 -17.260 1.354 1.00 5.98 H new ATOM 1765 N ASN B 126 9.631 -16.118 -0.263 1.00 5.46 N ATOM 1766 CA ASN B 126 10.175 -16.232 -1.613 1.00 5.77 C ATOM 1767 C ASN B 126 11.415 -15.354 -1.770 1.00 5.90 C ATOM 1768 O ASN B 126 11.346 -14.133 -1.630 1.00 6.04 O ATOM 1769 CB ASN B 126 9.123 -15.844 -2.655 1.00 5.95 C ATOM 1770 CG ASN B 126 9.576 -16.143 -4.075 1.00 6.52 C ATOM 1771 OD1 ASN B 126 10.183 -15.302 -4.736 1.00 6.97 O ATOM 1772 ND2 ASN B 126 9.277 -17.342 -4.557 1.00 6.79 N ATOM 0 H ASN B 126 8.877 -15.438 -0.165 1.00 5.46 H new ATOM 0 HA ASN B 126 10.460 -17.272 -1.775 1.00 5.77 H new ATOM 0 HB2 ASN B 126 8.198 -16.382 -2.451 1.00 5.95 H new ATOM 0 HB3 ASN B 126 8.900 -14.781 -2.564 1.00 5.95 H new ATOM 0 HD21 ASN B 126 9.552 -17.593 -5.507 1.00 6.79 H new ATOM 0 HD22 ASN B 126 8.772 -18.013 -3.978 1.00 6.79 H new ATOM 1779 N ASP B 127 12.546 -15.984 -2.055 1.00 6.22 N ATOM 1780 CA ASP B 127 13.803 -15.260 -2.225 1.00 6.72 C ATOM 1781 C ASP B 127 14.372 -15.479 -3.625 1.00 7.18 C ATOM 1782 O ASP B 127 13.788 -16.202 -4.432 1.00 7.47 O ATOM 1783 CB ASP B 127 14.823 -15.709 -1.171 1.00 7.18 C ATOM 1784 CG ASP B 127 15.539 -16.991 -1.550 1.00 7.84 C ATOM 1785 OD1 ASP B 127 14.907 -18.069 -1.507 1.00 8.25 O1- ATOM 1786 OD2 ASP B 127 16.739 -16.928 -1.888 1.00 8.20 O ATOM 0 H ASP B 127 12.621 -16.994 -2.174 1.00 6.22 H new ATOM 0 HA ASP B 127 13.601 -14.197 -2.096 1.00 6.72 H new ATOM 0 HB2 ASP B 127 15.558 -14.918 -1.025 1.00 7.18 H new ATOM 0 HB3 ASP B 127 14.314 -15.851 -0.218 1.00 7.18 H new ATOM 1791 N ILE B 128 15.509 -14.851 -3.902 1.00 7.53 N ATOM 1792 CA ILE B 128 16.161 -14.973 -5.200 1.00 8.22 C ATOM 1793 C ILE B 128 17.574 -15.544 -5.050 1.00 8.70 C ATOM 1794 O ILE B 128 18.417 -14.960 -4.363 1.00 8.87 O ATOM 1795 CB ILE B 128 16.235 -13.616 -5.929 1.00 8.70 C ATOM 1796 CG1 ILE B 128 16.626 -12.499 -4.958 1.00 8.64 C ATOM 1797 CG2 ILE B 128 14.899 -13.304 -6.589 1.00 8.97 C ATOM 1798 CD1 ILE B 128 16.995 -11.202 -5.643 1.00 9.43 C ATOM 0 H ILE B 128 16.000 -14.249 -3.241 1.00 7.53 H new ATOM 0 HA ILE B 128 15.556 -15.656 -5.796 1.00 8.22 H new ATOM 0 HB ILE B 128 17.003 -13.679 -6.700 1.00 8.70 H new ATOM 0 HG12 ILE B 128 15.796 -12.316 -4.275 1.00 8.64 H new ATOM 0 HG13 ILE B 128 17.469 -12.833 -4.353 1.00 8.64 H new ATOM 0 HG21 ILE B 128 14.962 -12.344 -7.101 1.00 8.97 H new ATOM 0 HG22 ILE B 128 14.658 -14.085 -7.310 1.00 8.97 H new ATOM 0 HG23 ILE B 128 14.119 -13.260 -5.829 1.00 8.97 H new ATOM 0 HD11 ILE B 128 17.261 -10.457 -4.893 1.00 9.43 H new ATOM 0 HD12 ILE B 128 17.845 -11.369 -6.305 1.00 9.43 H new ATOM 0 HD13 ILE B 128 16.146 -10.844 -6.225 1.00 9.43 H new ATOM 1810 N PRO B 129 17.842 -16.706 -5.673 1.00 9.15 N ATOM 1811 CA PRO B 129 19.157 -17.353 -5.606 1.00 9.85 C ATOM 1812 C PRO B 129 20.243 -16.531 -6.293 1.00 10.63 C ATOM 1813 O PRO B 129 21.226 -16.143 -5.660 1.00 11.00 O ATOM 1814 CB PRO B 129 18.956 -18.688 -6.338 1.00 10.26 C ATOM 1815 CG PRO B 129 17.482 -18.864 -6.482 1.00 9.98 C ATOM 1816 CD PRO B 129 16.883 -17.489 -6.473 1.00 9.29 C ATOM 0 HA PRO B 129 19.491 -17.470 -4.575 1.00 9.85 H new ATOM 0 HB2 PRO B 129 19.444 -18.675 -7.313 1.00 10.26 H new ATOM 0 HB3 PRO B 129 19.393 -19.512 -5.773 1.00 10.26 H new ATOM 0 HG2 PRO B 129 17.243 -19.385 -7.409 1.00 9.98 H new ATOM 0 HG3 PRO B 129 17.082 -19.466 -5.666 1.00 9.98 H new ATOM 0 HD2 PRO B 129 16.779 -17.089 -7.482 1.00 9.29 H new ATOM 0 HD3 PRO B 129 15.889 -17.486 -6.025 1.00 9.29 H new ATOM 1824 N VAL B 130 20.039 -16.256 -7.582 1.00 11.05 N ATOM 1825 CA VAL B 130 20.987 -15.486 -8.386 1.00 11.95 C ATOM 1826 C VAL B 130 22.311 -16.235 -8.544 1.00 12.59 C ATOM 1827 O VAL B 130 23.208 -16.131 -7.703 1.00 12.77 O ATOM 1828 CB VAL B 130 21.254 -14.080 -7.794 1.00 12.34 C ATOM 1829 CG1 VAL B 130 22.193 -13.286 -8.688 1.00 12.40 C ATOM 1830 CG2 VAL B 130 19.949 -13.326 -7.589 1.00 12.18 C ATOM 0 H VAL B 130 19.213 -16.561 -8.097 1.00 11.05 H new ATOM 0 HA VAL B 130 20.526 -15.358 -9.366 1.00 11.95 H new ATOM 0 HB VAL B 130 21.733 -14.208 -6.823 1.00 12.34 H new ATOM 0 HG11 VAL B 130 22.366 -12.302 -8.252 1.00 12.40 H new ATOM 0 HG12 VAL B 130 23.142 -13.814 -8.779 1.00 12.40 H new ATOM 0 HG13 VAL B 130 21.745 -13.172 -9.675 1.00 12.40 H new ATOM 0 HG21 VAL B 130 20.159 -12.341 -7.172 1.00 12.18 H new ATOM 0 HG22 VAL B 130 19.439 -13.214 -8.546 1.00 12.18 H new ATOM 0 HG23 VAL B 130 19.312 -13.882 -6.901 1.00 12.18 H new ATOM 1840 N THR B 131 22.421 -17.005 -9.615 1.00 13.10 N ATOM 1841 CA THR B 131 23.631 -17.760 -9.882 1.00 13.88 C ATOM 1842 C THR B 131 24.436 -17.096 -10.996 1.00 14.63 C ATOM 1843 O THR B 131 24.465 -17.573 -12.134 1.00 14.78 O ATOM 1844 CB THR B 131 23.315 -19.214 -10.272 1.00 14.08 C ATOM 1845 OG1 THR B 131 21.972 -19.554 -9.890 1.00 14.22 O ATOM 1846 CG2 THR B 131 24.292 -20.166 -9.601 1.00 14.14 C ATOM 0 H THR B 131 21.686 -17.122 -10.312 1.00 13.10 H new ATOM 0 HA THR B 131 24.219 -17.772 -8.964 1.00 13.88 H new ATOM 0 HB THR B 131 23.412 -19.307 -11.354 1.00 14.08 H new ATOM 0 HG1 THR B 131 21.784 -20.481 -10.146 1.00 14.22 H new ATOM 0 HG21 THR B 131 24.056 -21.191 -9.887 1.00 14.14 H new ATOM 0 HG22 THR B 131 25.308 -19.927 -9.916 1.00 14.14 H new ATOM 0 HG23 THR B 131 24.214 -20.064 -8.519 1.00 14.14 H new ATOM 1854 N THR B 132 25.068 -15.981 -10.666 1.00 15.25 N ATOM 1855 CA THR B 132 25.871 -15.237 -11.624 1.00 16.11 C ATOM 1856 C THR B 132 27.198 -15.940 -11.889 1.00 16.43 C ATOM 1857 O THR B 132 28.160 -15.783 -11.136 1.00 16.63 O ATOM 1858 CB THR B 132 26.132 -13.814 -11.105 1.00 16.66 C ATOM 1859 OG1 THR B 132 25.897 -13.772 -9.689 1.00 16.38 O ATOM 1860 CG2 THR B 132 25.231 -12.809 -11.803 1.00 17.36 C ATOM 0 H THR B 132 25.040 -15.568 -9.734 1.00 15.25 H new ATOM 0 HA THR B 132 25.315 -15.184 -12.560 1.00 16.11 H new ATOM 0 HB THR B 132 27.168 -13.551 -11.317 1.00 16.66 H new ATOM 0 HG1 THR B 132 26.065 -12.866 -9.356 1.00 16.38 H new ATOM 0 HG21 THR B 132 25.434 -11.810 -11.419 1.00 17.36 H new ATOM 0 HG22 THR B 132 25.423 -12.831 -12.876 1.00 17.36 H new ATOM 0 HG23 THR B 132 24.188 -13.064 -11.616 1.00 17.36 H new ATOM 1868 N ASP B 133 27.238 -16.729 -12.951 1.00 16.62 N ATOM 1869 CA ASP B 133 28.439 -17.470 -13.312 1.00 17.09 C ATOM 1870 C ASP B 133 29.246 -16.721 -14.364 1.00 18.05 C ATOM 1871 O ASP B 133 28.699 -16.268 -15.370 1.00 18.48 O ATOM 1872 CB ASP B 133 28.070 -18.861 -13.831 1.00 16.97 C ATOM 1873 CG ASP B 133 29.281 -19.638 -14.312 1.00 16.91 C ATOM 1874 OD1 ASP B 133 30.211 -19.852 -13.508 1.00 16.99 O1- ATOM 1875 OD2 ASP B 133 29.305 -20.047 -15.493 1.00 16.92 O ATOM 0 H ASP B 133 26.449 -16.874 -13.581 1.00 16.62 H new ATOM 0 HA ASP B 133 29.052 -17.574 -12.417 1.00 17.09 H new ATOM 0 HB2 ASP B 133 27.573 -19.421 -13.039 1.00 16.97 H new ATOM 0 HB3 ASP B 133 27.356 -18.763 -14.649 1.00 16.97 H new ATOM 1880 N ASP B 134 30.539 -16.581 -14.119 1.00 18.48 N ATOM 1881 CA ASP B 134 31.425 -15.892 -15.045 1.00 19.48 C ATOM 1882 C ASP B 134 32.600 -16.785 -15.403 1.00 20.00 C ATOM 1883 O ASP B 134 33.373 -17.138 -14.487 1.00 20.13 O ATOM 1884 CB ASP B 134 31.936 -14.589 -14.431 1.00 19.84 C ATOM 1885 CG ASP B 134 32.741 -13.755 -15.411 1.00 20.68 C ATOM 1886 OD1 ASP B 134 33.941 -14.038 -15.606 1.00 20.91 O ATOM 1887 OD2 ASP B 134 32.176 -12.796 -15.978 1.00 21.19 O1- ATOM 1888 OXT ASP B 134 32.741 -17.143 -16.591 1.00 20.39 O1- ATOM 0 H ASP B 134 31.001 -16.937 -13.282 1.00 18.48 H new ATOM 0 HA ASP B 134 30.863 -15.657 -15.949 1.00 19.48 H new ATOM 0 HB2 ASP B 134 31.089 -14.004 -14.073 1.00 19.84 H new ATOM 0 HB3 ASP B 134 32.554 -14.819 -13.563 1.00 19.84 H new TER 1893 ASP B 134