USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1063 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 SER OG : rot -65:sc= 1.06 USER MOD Set 1.2: A 135 MET CE :methyl -150:sc= -1.13 (180deg=-2.23!) USER MOD Set 2.1: A 36 MET CE :methyl 152:sc= -2.88 (180deg=-4.09!) USER MOD Set 2.2: A 75 GLN :FLIP amide:sc= -2.96 F(o=-7.6!,f=-5.8) USER MOD Set 3.1: A 41 GLN : amide:sc= -1.88 K(o=-4.4,f=-6.4) USER MOD Set 3.2: A 72 MET CE :methyl -127:sc= -2.13 (180deg=-3.18!) USER MOD Set 3.3: A 76 MET CE :methyl -128:sc= -0.411 (180deg=-1.3) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.205 F(o=-1.3,f=-0.21) USER MOD Single : A 13 LYS NZ :NH3+ -170:sc= -0.0103 (180deg=-0.136) USER MOD Single : A 18 GLN : amide:sc= 0.255 K(o=0.26,f=-0.75) USER MOD Single : A 21 LYS NZ :NH3+ -171:sc=-0.00676 (180deg=-0.0803) USER MOD Single : A 24 THR OG1 : rot -44:sc= 0.919 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -24:sc= 0.2 USER MOD Single : A 42 ASN :FLIP amide:sc= -0.828 F(o=-1.4,f=-0.83) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.107 K(o=-0.11,f=-0.69) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.579 F(o=-3.8!,f=-0.58) USER MOD Single : A 58 ASN :FLIP amide:sc= -0.0125 F(o=-1.2,f=-0.012) USER MOD Single : A 59 ASN :FLIP amide:sc= 0.214 F(o=-6.2!,f=0.21) USER MOD Single : A 60 ASN : amide:sc= -1.36 X(o=-1.4,f=-0.9) USER MOD Single : A 62 GLN :FLIP amide:sc= -5.82! C(o=-7.8!,f=-5.8!) USER MOD Single : A 64 ASN : amide:sc= -1.97 K(o=-2,f=-3) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 69 CYS SG : rot 69:sc= 1.01 USER MOD Single : A 74 LYS NZ :NH3+ -157:sc= -0.112 (180deg=-0.615) USER MOD Single : A 85 MET CE :methyl -132:sc= -2.75 (180deg=-4.64!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl -122:sc= -6.49! (180deg=-7.36!) USER MOD Single : A 111 ASN : amide:sc= -0.678 X(o=-0.68,f=-0.73) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 156:sc= -0.842 (180deg=-1.97) USER MOD Single : A 137 ASN : amide:sc= -1.81 K(o=-1.8,f=-7.3!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 MET CE :methyl 155:sc= -2.12 (180deg=-3.18!) USER MOD Single : A 146 SER OG : rot -17:sc= 0.196 USER MOD Single : A 147 GLN : amide:sc= -0.565 K(o=-0.57,f=-5.4!) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 12 N GLU A 3 11.161 -13.778 1.713 1.00 0.87 N ATOM 13 CA GLU A 3 11.549 -13.820 3.122 1.00 0.57 C ATOM 14 C GLU A 3 12.965 -13.281 3.323 1.00 0.48 C ATOM 15 O GLU A 3 13.756 -13.220 2.382 1.00 0.55 O ATOM 16 CB GLU A 3 11.459 -15.254 3.657 1.00 0.70 C ATOM 17 CG GLU A 3 11.588 -15.353 5.169 1.00 1.23 C ATOM 18 CD GLU A 3 11.449 -16.777 5.671 1.00 1.78 C ATOM 19 OE1 GLU A 3 12.460 -17.510 5.667 1.00 2.49 O ATOM 20 OE2 GLU A 3 10.328 -17.161 6.068 1.00 2.20 O ATOM 0 HA GLU A 3 10.858 -13.185 3.676 1.00 0.57 H new ATOM 0 HB2 GLU A 3 10.505 -15.686 3.354 1.00 0.70 H new ATOM 0 HB3 GLU A 3 12.242 -15.854 3.195 1.00 0.70 H new ATOM 0 HG2 GLU A 3 12.556 -14.956 5.475 1.00 1.23 H new ATOM 0 HG3 GLU A 3 10.826 -14.730 5.637 1.00 1.23 H new ATOM 27 N LEU A 4 13.275 -12.884 4.555 1.00 0.44 N ATOM 28 CA LEU A 4 14.598 -12.360 4.875 1.00 0.39 C ATOM 29 C LEU A 4 15.577 -13.497 5.153 1.00 0.37 C ATOM 30 O LEU A 4 16.208 -13.544 6.210 1.00 0.45 O ATOM 31 CB LEU A 4 14.538 -11.422 6.086 1.00 0.47 C ATOM 32 CG LEU A 4 13.828 -10.077 5.869 1.00 0.43 C ATOM 33 CD1 LEU A 4 14.100 -9.148 7.040 1.00 1.12 C ATOM 34 CD2 LEU A 4 14.268 -9.430 4.565 1.00 1.25 C ATOM 0 H LEU A 4 12.630 -12.915 5.345 1.00 0.44 H new ATOM 0 HA LEU A 4 14.948 -11.795 4.011 1.00 0.39 H new ATOM 0 HB2 LEU A 4 14.038 -11.946 6.900 1.00 0.47 H new ATOM 0 HB3 LEU A 4 15.558 -11.222 6.415 1.00 0.47 H new ATOM 0 HG LEU A 4 12.756 -10.263 5.806 1.00 0.43 H new ATOM 0 HD11 LEU A 4 13.592 -8.198 6.876 1.00 1.12 H new ATOM 0 HD12 LEU A 4 13.730 -9.603 7.959 1.00 1.12 H new ATOM 0 HD13 LEU A 4 15.173 -8.976 7.126 1.00 1.12 H new ATOM 0 HD21 LEU A 4 13.750 -8.480 4.437 1.00 1.25 H new ATOM 0 HD22 LEU A 4 15.344 -9.256 4.590 1.00 1.25 H new ATOM 0 HD23 LEU A 4 14.026 -10.090 3.732 1.00 1.25 H new ATOM 46 N THR A 5 15.698 -14.413 4.198 1.00 0.35 N ATOM 47 CA THR A 5 16.601 -15.550 4.333 1.00 0.37 C ATOM 48 C THR A 5 18.054 -15.098 4.221 1.00 0.35 C ATOM 49 O THR A 5 18.337 -14.070 3.619 1.00 0.39 O ATOM 50 CB THR A 5 16.310 -16.626 3.264 1.00 0.40 C ATOM 51 OG1 THR A 5 14.967 -17.104 3.408 1.00 0.46 O ATOM 52 CG2 THR A 5 17.279 -17.796 3.381 1.00 0.47 C ATOM 0 H THR A 5 15.180 -14.390 3.319 1.00 0.35 H new ATOM 0 HA THR A 5 16.435 -15.985 5.318 1.00 0.37 H new ATOM 0 HB THR A 5 16.437 -16.169 2.283 1.00 0.40 H new ATOM 0 HG1 THR A 5 14.787 -17.785 2.727 1.00 0.46 H new ATOM 0 HG21 THR A 5 17.049 -18.537 2.615 1.00 0.47 H new ATOM 0 HG22 THR A 5 18.300 -17.438 3.245 1.00 0.47 H new ATOM 0 HG23 THR A 5 17.183 -18.251 4.367 1.00 0.47 H new ATOM 60 N GLU A 6 18.965 -15.870 4.807 1.00 0.36 N ATOM 61 CA GLU A 6 20.393 -15.547 4.788 1.00 0.37 C ATOM 62 C GLU A 6 20.849 -14.996 3.433 1.00 0.33 C ATOM 63 O GLU A 6 21.490 -13.945 3.364 1.00 0.34 O ATOM 64 CB GLU A 6 21.210 -16.789 5.146 1.00 0.45 C ATOM 65 CG GLU A 6 20.908 -17.994 4.270 1.00 0.87 C ATOM 66 CD GLU A 6 21.644 -19.241 4.720 1.00 0.98 C ATOM 67 OE1 GLU A 6 22.809 -19.424 4.308 1.00 1.20 O ATOM 68 OE2 GLU A 6 21.057 -20.035 5.485 1.00 1.17 O ATOM 0 H GLU A 6 18.739 -16.731 5.305 1.00 0.36 H new ATOM 0 HA GLU A 6 20.560 -14.765 5.529 1.00 0.37 H new ATOM 0 HB2 GLU A 6 22.271 -16.550 5.067 1.00 0.45 H new ATOM 0 HB3 GLU A 6 21.019 -17.051 6.187 1.00 0.45 H new ATOM 0 HG2 GLU A 6 19.835 -18.186 4.280 1.00 0.87 H new ATOM 0 HG3 GLU A 6 21.181 -17.767 3.240 1.00 0.87 H new ATOM 75 N GLU A 7 20.508 -15.701 2.359 1.00 0.34 N ATOM 76 CA GLU A 7 20.893 -15.292 1.015 1.00 0.35 C ATOM 77 C GLU A 7 20.147 -14.033 0.592 1.00 0.30 C ATOM 78 O GLU A 7 20.746 -13.089 0.076 1.00 0.30 O ATOM 79 CB GLU A 7 20.625 -16.424 0.019 1.00 0.44 C ATOM 80 CG GLU A 7 19.196 -16.941 0.053 1.00 0.47 C ATOM 81 CD GLU A 7 18.954 -18.050 -0.951 1.00 0.57 C ATOM 82 OE1 GLU A 7 19.181 -19.228 -0.602 1.00 0.61 O ATOM 83 OE2 GLU A 7 18.537 -17.741 -2.087 1.00 0.64 O ATOM 0 H GLU A 7 19.963 -16.562 2.395 1.00 0.34 H new ATOM 0 HA GLU A 7 21.960 -15.070 1.021 1.00 0.35 H new ATOM 0 HB2 GLU A 7 20.851 -16.072 -0.987 1.00 0.44 H new ATOM 0 HB3 GLU A 7 21.306 -17.249 0.228 1.00 0.44 H new ATOM 0 HG2 GLU A 7 18.969 -17.307 1.055 1.00 0.47 H new ATOM 0 HG3 GLU A 7 18.511 -16.118 -0.148 1.00 0.47 H new ATOM 90 N GLN A 8 18.836 -14.028 0.812 1.00 0.30 N ATOM 91 CA GLN A 8 18.007 -12.882 0.465 1.00 0.30 C ATOM 92 C GLN A 8 18.545 -11.621 1.127 1.00 0.25 C ATOM 93 O GLN A 8 18.669 -10.577 0.487 1.00 0.24 O ATOM 94 CB GLN A 8 16.562 -13.130 0.894 1.00 0.35 C ATOM 95 CG GLN A 8 15.830 -14.140 0.022 1.00 0.45 C ATOM 96 CD GLN A 8 15.772 -13.723 -1.435 1.00 0.72 C ATOM 97 OE1 GLN A 8 15.730 -12.418 -1.680 1.00 1.32 O flip ATOM 98 NE2 GLN A 8 15.762 -14.565 -2.333 1.00 1.02 N flip ATOM 0 H GLN A 8 18.326 -14.806 1.229 1.00 0.30 H new ATOM 0 HA GLN A 8 18.033 -12.745 -0.616 1.00 0.30 H new ATOM 0 HB2 GLN A 8 16.554 -13.481 1.926 1.00 0.35 H new ATOM 0 HB3 GLN A 8 16.019 -12.185 0.874 1.00 0.35 H new ATOM 0 HG2 GLN A 8 16.326 -15.107 0.099 1.00 0.45 H new ATOM 0 HG3 GLN A 8 14.816 -14.271 0.399 1.00 0.45 H new ATOM 0 HE21 GLN A 8 15.796 -15.558 -2.102 1.00 1.02 H new ATOM 0 HE22 GLN A 8 15.720 -14.270 -3.308 1.00 1.02 H new ATOM 107 N ILE A 9 18.862 -11.728 2.412 1.00 0.25 N ATOM 108 CA ILE A 9 19.405 -10.610 3.164 1.00 0.26 C ATOM 109 C ILE A 9 20.609 -10.032 2.442 1.00 0.25 C ATOM 110 O ILE A 9 20.672 -8.837 2.177 1.00 0.27 O ATOM 111 CB ILE A 9 19.819 -11.034 4.589 1.00 0.32 C ATOM 112 CG1 ILE A 9 18.589 -11.467 5.389 1.00 0.37 C ATOM 113 CG2 ILE A 9 20.546 -9.897 5.295 1.00 0.34 C ATOM 114 CD1 ILE A 9 18.924 -12.078 6.733 1.00 0.45 C ATOM 0 H ILE A 9 18.750 -12.584 2.955 1.00 0.25 H new ATOM 0 HA ILE A 9 18.623 -9.855 3.244 1.00 0.26 H new ATOM 0 HB ILE A 9 20.501 -11.881 4.517 1.00 0.32 H new ATOM 0 HG12 ILE A 9 17.943 -10.602 5.543 1.00 0.37 H new ATOM 0 HG13 ILE A 9 18.020 -12.189 4.803 1.00 0.37 H new ATOM 0 HG21 ILE A 9 20.830 -10.214 6.298 1.00 0.34 H new ATOM 0 HG22 ILE A 9 21.440 -9.632 4.731 1.00 0.34 H new ATOM 0 HG23 ILE A 9 19.888 -9.030 5.361 1.00 0.34 H new ATOM 0 HD11 ILE A 9 18.004 -12.361 7.244 1.00 0.45 H new ATOM 0 HD12 ILE A 9 19.544 -12.962 6.586 1.00 0.45 H new ATOM 0 HD13 ILE A 9 19.466 -11.351 7.338 1.00 0.45 H new ATOM 126 N ALA A 10 21.552 -10.903 2.112 1.00 0.26 N ATOM 127 CA ALA A 10 22.764 -10.499 1.416 1.00 0.28 C ATOM 128 C ALA A 10 22.459 -9.976 0.013 1.00 0.24 C ATOM 129 O ALA A 10 23.258 -9.242 -0.570 1.00 0.25 O ATOM 130 CB ALA A 10 23.722 -11.679 1.343 1.00 0.36 C ATOM 0 H ALA A 10 21.499 -11.901 2.317 1.00 0.26 H new ATOM 0 HA ALA A 10 23.226 -9.685 1.975 1.00 0.28 H new ATOM 0 HB1 ALA A 10 24.631 -11.378 0.822 1.00 0.36 H new ATOM 0 HB2 ALA A 10 23.974 -12.006 2.352 1.00 0.36 H new ATOM 0 HB3 ALA A 10 23.249 -12.499 0.803 1.00 0.36 H new ATOM 136 N GLU A 11 21.295 -10.342 -0.518 1.00 0.24 N ATOM 137 CA GLU A 11 20.905 -9.926 -1.863 1.00 0.25 C ATOM 138 C GLU A 11 20.553 -8.439 -1.923 1.00 0.22 C ATOM 139 O GLU A 11 21.158 -7.683 -2.688 1.00 0.22 O ATOM 140 CB GLU A 11 19.717 -10.764 -2.344 1.00 0.31 C ATOM 141 CG GLU A 11 19.313 -10.482 -3.782 1.00 0.40 C ATOM 142 CD GLU A 11 18.117 -11.302 -4.223 1.00 1.06 C ATOM 143 OE1 GLU A 11 18.313 -12.470 -4.620 1.00 1.02 O ATOM 144 OE2 GLU A 11 16.985 -10.778 -4.170 1.00 1.93 O ATOM 0 H GLU A 11 20.607 -10.924 -0.040 1.00 0.24 H new ATOM 0 HA GLU A 11 21.760 -10.088 -2.519 1.00 0.25 H new ATOM 0 HB2 GLU A 11 19.966 -11.821 -2.246 1.00 0.31 H new ATOM 0 HB3 GLU A 11 18.864 -10.576 -1.693 1.00 0.31 H new ATOM 0 HG2 GLU A 11 19.082 -9.422 -3.889 1.00 0.40 H new ATOM 0 HG3 GLU A 11 20.156 -10.693 -4.440 1.00 0.40 H new ATOM 151 N PHE A 12 19.587 -8.012 -1.113 1.00 0.21 N ATOM 152 CA PHE A 12 19.181 -6.610 -1.104 1.00 0.23 C ATOM 153 C PHE A 12 20.146 -5.772 -0.278 1.00 0.20 C ATOM 154 O PHE A 12 20.284 -4.571 -0.504 1.00 0.22 O ATOM 155 CB PHE A 12 17.748 -6.448 -0.591 1.00 0.29 C ATOM 156 CG PHE A 12 17.526 -6.976 0.794 1.00 0.27 C ATOM 157 CD1 PHE A 12 17.858 -6.214 1.902 1.00 0.32 C ATOM 158 CD2 PHE A 12 16.974 -8.230 0.987 1.00 0.27 C ATOM 159 CE1 PHE A 12 17.645 -6.696 3.175 1.00 0.36 C ATOM 160 CE2 PHE A 12 16.758 -8.714 2.258 1.00 0.28 C ATOM 161 CZ PHE A 12 17.096 -7.947 3.352 1.00 0.33 C ATOM 0 H PHE A 12 19.077 -8.609 -0.462 1.00 0.21 H new ATOM 0 HA PHE A 12 19.209 -6.251 -2.133 1.00 0.23 H new ATOM 0 HB2 PHE A 12 17.485 -5.390 -0.611 1.00 0.29 H new ATOM 0 HB3 PHE A 12 17.070 -6.958 -1.275 1.00 0.29 H new ATOM 0 HD1 PHE A 12 18.288 -5.233 1.767 1.00 0.32 H new ATOM 0 HD2 PHE A 12 16.710 -8.835 0.132 1.00 0.27 H new ATOM 0 HE1 PHE A 12 17.908 -6.094 4.032 1.00 0.36 H new ATOM 0 HE2 PHE A 12 16.324 -9.693 2.397 1.00 0.28 H new ATOM 0 HZ PHE A 12 16.930 -8.327 4.349 1.00 0.33 H new ATOM 171 N LYS A 13 20.811 -6.406 0.685 1.00 0.18 N ATOM 172 CA LYS A 13 21.784 -5.704 1.511 1.00 0.21 C ATOM 173 C LYS A 13 22.931 -5.234 0.631 1.00 0.19 C ATOM 174 O LYS A 13 23.477 -4.147 0.821 1.00 0.24 O ATOM 175 CB LYS A 13 22.301 -6.606 2.637 1.00 0.26 C ATOM 176 CG LYS A 13 23.518 -6.053 3.360 1.00 0.31 C ATOM 177 CD LYS A 13 23.170 -4.824 4.184 1.00 0.40 C ATOM 178 CE LYS A 13 24.411 -4.202 4.801 1.00 0.68 C ATOM 179 NZ LYS A 13 25.121 -5.154 5.698 1.00 1.53 N ATOM 0 H LYS A 13 20.694 -7.394 0.909 1.00 0.18 H new ATOM 0 HA LYS A 13 21.304 -4.843 1.976 1.00 0.21 H new ATOM 0 HB2 LYS A 13 21.501 -6.762 3.360 1.00 0.26 H new ATOM 0 HB3 LYS A 13 22.550 -7.582 2.222 1.00 0.26 H new ATOM 0 HG2 LYS A 13 23.935 -6.821 4.011 1.00 0.31 H new ATOM 0 HG3 LYS A 13 24.289 -5.798 2.633 1.00 0.31 H new ATOM 0 HD2 LYS A 13 22.669 -4.090 3.552 1.00 0.40 H new ATOM 0 HD3 LYS A 13 22.469 -5.099 4.972 1.00 0.40 H new ATOM 0 HE2 LYS A 13 25.086 -3.877 4.009 1.00 0.68 H new ATOM 0 HE3 LYS A 13 24.129 -3.313 5.365 1.00 0.68 H new ATOM 0 HZ1 LYS A 13 25.859 -4.647 6.228 1.00 1.53 H new ATOM 0 HZ2 LYS A 13 24.443 -5.574 6.365 1.00 1.53 H new ATOM 0 HZ3 LYS A 13 25.559 -5.906 5.129 1.00 1.53 H new ATOM 193 N ASP A 14 23.294 -6.072 -0.338 1.00 0.16 N ATOM 194 CA ASP A 14 24.350 -5.735 -1.280 1.00 0.19 C ATOM 195 C ASP A 14 23.878 -4.593 -2.168 1.00 0.18 C ATOM 196 O ASP A 14 24.586 -3.603 -2.367 1.00 0.20 O ATOM 197 CB ASP A 14 24.709 -6.954 -2.134 1.00 0.23 C ATOM 198 CG ASP A 14 25.866 -6.682 -3.074 1.00 0.30 C ATOM 199 OD1 ASP A 14 26.976 -6.393 -2.581 1.00 0.38 O ATOM 200 OD2 ASP A 14 25.661 -6.753 -4.304 1.00 0.39 O ATOM 0 H ASP A 14 22.871 -6.988 -0.488 1.00 0.16 H new ATOM 0 HA ASP A 14 25.240 -5.427 -0.732 1.00 0.19 H new ATOM 0 HB2 ASP A 14 24.964 -7.789 -1.481 1.00 0.23 H new ATOM 0 HB3 ASP A 14 23.837 -7.257 -2.714 1.00 0.23 H new ATOM 205 N ALA A 15 22.666 -4.736 -2.695 1.00 0.17 N ATOM 206 CA ALA A 15 22.078 -3.716 -3.547 1.00 0.19 C ATOM 207 C ALA A 15 21.847 -2.429 -2.760 1.00 0.20 C ATOM 208 O ALA A 15 21.626 -1.365 -3.338 1.00 0.24 O ATOM 209 CB ALA A 15 20.766 -4.215 -4.139 1.00 0.22 C ATOM 0 H ALA A 15 22.073 -5.552 -2.545 1.00 0.17 H new ATOM 0 HA ALA A 15 22.772 -3.504 -4.361 1.00 0.19 H new ATOM 0 HB1 ALA A 15 20.336 -3.441 -4.775 1.00 0.22 H new ATOM 0 HB2 ALA A 15 20.952 -5.110 -4.732 1.00 0.22 H new ATOM 0 HB3 ALA A 15 20.070 -4.451 -3.334 1.00 0.22 H new ATOM 215 N PHE A 16 21.907 -2.536 -1.433 1.00 0.21 N ATOM 216 CA PHE A 16 21.699 -1.391 -0.555 1.00 0.25 C ATOM 217 C PHE A 16 22.959 -0.541 -0.457 1.00 0.23 C ATOM 218 O PHE A 16 22.907 0.679 -0.597 1.00 0.24 O ATOM 219 CB PHE A 16 21.273 -1.870 0.837 1.00 0.31 C ATOM 220 CG PHE A 16 21.129 -0.764 1.842 1.00 0.35 C ATOM 221 CD1 PHE A 16 20.009 0.052 1.838 1.00 0.43 C ATOM 222 CD2 PHE A 16 22.112 -0.544 2.793 1.00 0.41 C ATOM 223 CE1 PHE A 16 19.874 1.068 2.763 1.00 0.52 C ATOM 224 CE2 PHE A 16 21.982 0.471 3.721 1.00 0.50 C ATOM 225 CZ PHE A 16 20.861 1.277 3.707 1.00 0.54 C ATOM 0 H PHE A 16 22.099 -3.410 -0.943 1.00 0.21 H new ATOM 0 HA PHE A 16 20.907 -0.773 -0.979 1.00 0.25 H new ATOM 0 HB2 PHE A 16 20.323 -2.398 0.754 1.00 0.31 H new ATOM 0 HB3 PHE A 16 22.006 -2.588 1.204 1.00 0.31 H new ATOM 0 HD1 PHE A 16 19.234 -0.108 1.104 1.00 0.43 H new ATOM 0 HD2 PHE A 16 22.990 -1.173 2.809 1.00 0.41 H new ATOM 0 HE1 PHE A 16 18.998 1.699 2.749 1.00 0.52 H new ATOM 0 HE2 PHE A 16 22.756 0.634 4.456 1.00 0.50 H new ATOM 0 HZ PHE A 16 20.756 2.070 4.433 1.00 0.54 H new ATOM 235 N VAL A 17 24.091 -1.194 -0.219 1.00 0.23 N ATOM 236 CA VAL A 17 25.361 -0.491 -0.103 1.00 0.24 C ATOM 237 C VAL A 17 25.780 0.084 -1.449 1.00 0.23 C ATOM 238 O VAL A 17 26.574 1.023 -1.517 1.00 0.28 O ATOM 239 CB VAL A 17 26.474 -1.413 0.429 1.00 0.28 C ATOM 240 CG1 VAL A 17 26.210 -1.786 1.879 1.00 0.90 C ATOM 241 CG2 VAL A 17 26.600 -2.659 -0.432 1.00 0.76 C ATOM 0 H VAL A 17 24.154 -2.205 -0.103 1.00 0.23 H new ATOM 0 HA VAL A 17 25.216 0.321 0.610 1.00 0.24 H new ATOM 0 HB VAL A 17 27.419 -0.871 0.380 1.00 0.28 H new ATOM 0 HG11 VAL A 17 27.007 -2.438 2.238 1.00 0.90 H new ATOM 0 HG12 VAL A 17 26.179 -0.882 2.487 1.00 0.90 H new ATOM 0 HG13 VAL A 17 25.255 -2.306 1.953 1.00 0.90 H new ATOM 0 HG21 VAL A 17 27.392 -3.295 -0.037 1.00 0.76 H new ATOM 0 HG22 VAL A 17 25.657 -3.205 -0.422 1.00 0.76 H new ATOM 0 HG23 VAL A 17 26.842 -2.371 -1.455 1.00 0.76 H new ATOM 251 N GLN A 18 25.238 -0.488 -2.521 1.00 0.20 N ATOM 252 CA GLN A 18 25.545 -0.031 -3.870 1.00 0.21 C ATOM 253 C GLN A 18 25.008 1.376 -4.123 1.00 0.21 C ATOM 254 O GLN A 18 25.465 2.065 -5.036 1.00 0.26 O ATOM 255 CB GLN A 18 24.958 -0.994 -4.901 1.00 0.24 C ATOM 256 CG GLN A 18 25.714 -2.308 -5.013 1.00 0.29 C ATOM 257 CD GLN A 18 25.145 -3.217 -6.086 1.00 1.04 C ATOM 258 OE1 GLN A 18 24.593 -2.751 -7.083 1.00 1.86 O ATOM 259 NE2 GLN A 18 25.279 -4.522 -5.888 1.00 1.60 N ATOM 0 H GLN A 18 24.584 -1.269 -2.480 1.00 0.20 H new ATOM 0 HA GLN A 18 26.630 -0.005 -3.968 1.00 0.21 H new ATOM 0 HB2 GLN A 18 23.921 -1.203 -4.640 1.00 0.24 H new ATOM 0 HB3 GLN A 18 24.949 -0.507 -5.876 1.00 0.24 H new ATOM 0 HG2 GLN A 18 26.762 -2.103 -5.233 1.00 0.29 H new ATOM 0 HG3 GLN A 18 25.685 -2.823 -4.053 1.00 0.29 H new ATOM 0 HE21 GLN A 18 25.744 -4.865 -5.047 1.00 1.60 H new ATOM 0 HE22 GLN A 18 24.918 -5.182 -6.577 1.00 1.60 H new ATOM 268 N PHE A 19 24.040 1.803 -3.313 1.00 0.22 N ATOM 269 CA PHE A 19 23.445 3.128 -3.473 1.00 0.25 C ATOM 270 C PHE A 19 23.834 4.069 -2.335 1.00 0.23 C ATOM 271 O PHE A 19 23.324 5.185 -2.245 1.00 0.32 O ATOM 272 CB PHE A 19 21.922 3.021 -3.560 1.00 0.29 C ATOM 273 CG PHE A 19 21.437 2.337 -4.806 1.00 0.30 C ATOM 274 CD1 PHE A 19 21.692 2.882 -6.052 1.00 0.64 C ATOM 275 CD2 PHE A 19 20.726 1.150 -4.730 1.00 0.44 C ATOM 276 CE1 PHE A 19 21.249 2.257 -7.201 1.00 0.69 C ATOM 277 CE2 PHE A 19 20.280 0.519 -5.875 1.00 0.46 C ATOM 278 CZ PHE A 19 20.537 1.070 -7.110 1.00 0.42 C ATOM 0 H PHE A 19 23.654 1.255 -2.545 1.00 0.22 H new ATOM 0 HA PHE A 19 23.834 3.547 -4.401 1.00 0.25 H new ATOM 0 HB2 PHE A 19 21.554 2.477 -2.690 1.00 0.29 H new ATOM 0 HB3 PHE A 19 21.493 4.022 -3.515 1.00 0.29 H new ATOM 0 HD1 PHE A 19 22.244 3.807 -6.127 1.00 0.64 H new ATOM 0 HD2 PHE A 19 20.518 0.713 -3.764 1.00 0.44 H new ATOM 0 HE1 PHE A 19 21.456 2.691 -8.168 1.00 0.69 H new ATOM 0 HE2 PHE A 19 19.729 -0.407 -5.801 1.00 0.46 H new ATOM 0 HZ PHE A 19 20.185 0.580 -8.006 1.00 0.42 H new ATOM 288 N ASP A 20 24.734 3.621 -1.467 1.00 0.25 N ATOM 289 CA ASP A 20 25.181 4.441 -0.346 1.00 0.24 C ATOM 290 C ASP A 20 26.028 5.610 -0.842 1.00 0.24 C ATOM 291 O ASP A 20 27.221 5.457 -1.105 1.00 0.29 O ATOM 292 CB ASP A 20 25.974 3.591 0.646 1.00 0.28 C ATOM 293 CG ASP A 20 26.561 4.414 1.774 1.00 0.32 C ATOM 294 OD1 ASP A 20 25.790 4.850 2.656 1.00 0.37 O ATOM 295 OD2 ASP A 20 27.792 4.621 1.779 1.00 0.37 O ATOM 0 H ASP A 20 25.167 2.699 -1.517 1.00 0.25 H new ATOM 0 HA ASP A 20 24.304 4.844 0.161 1.00 0.24 H new ATOM 0 HB2 ASP A 20 25.323 2.822 1.062 1.00 0.28 H new ATOM 0 HB3 ASP A 20 26.778 3.078 0.118 1.00 0.28 H new ATOM 300 N LYS A 21 25.402 6.780 -0.967 1.00 0.24 N ATOM 301 CA LYS A 21 26.088 7.968 -1.445 1.00 0.30 C ATOM 302 C LYS A 21 26.688 8.782 -0.298 1.00 0.29 C ATOM 303 O LYS A 21 27.908 8.892 -0.178 1.00 0.33 O ATOM 304 CB LYS A 21 25.114 8.832 -2.238 1.00 0.36 C ATOM 305 CG LYS A 21 25.745 10.095 -2.774 1.00 0.90 C ATOM 306 CD LYS A 21 26.541 9.830 -4.042 1.00 1.04 C ATOM 307 CE LYS A 21 27.328 11.058 -4.472 1.00 1.70 C ATOM 308 NZ LYS A 21 26.442 12.230 -4.721 1.00 2.47 N ATOM 0 H LYS A 21 24.418 6.925 -0.742 1.00 0.24 H new ATOM 0 HA LYS A 21 26.910 7.646 -2.084 1.00 0.30 H new ATOM 0 HB2 LYS A 21 24.716 8.251 -3.070 1.00 0.36 H new ATOM 0 HB3 LYS A 21 24.270 9.096 -1.601 1.00 0.36 H new ATOM 0 HG2 LYS A 21 24.968 10.832 -2.979 1.00 0.90 H new ATOM 0 HG3 LYS A 21 26.400 10.525 -2.016 1.00 0.90 H new ATOM 0 HD2 LYS A 21 27.225 8.998 -3.876 1.00 1.04 H new ATOM 0 HD3 LYS A 21 25.864 9.532 -4.842 1.00 1.04 H new ATOM 0 HE2 LYS A 21 28.055 11.311 -3.701 1.00 1.70 H new ATOM 0 HE3 LYS A 21 27.890 10.830 -5.378 1.00 1.70 H new ATOM 0 HZ1 LYS A 21 26.994 12.997 -5.156 1.00 2.47 H new ATOM 0 HZ2 LYS A 21 25.671 11.952 -5.361 1.00 2.47 H new ATOM 0 HZ3 LYS A 21 26.042 12.560 -3.820 1.00 2.47 H new ATOM 322 N GLU A 22 25.821 9.352 0.535 1.00 0.27 N ATOM 323 CA GLU A 22 26.257 10.174 1.664 1.00 0.29 C ATOM 324 C GLU A 22 27.337 9.478 2.490 1.00 0.31 C ATOM 325 O GLU A 22 28.197 10.135 3.076 1.00 0.41 O ATOM 326 CB GLU A 22 25.063 10.526 2.553 1.00 0.31 C ATOM 327 CG GLU A 22 23.986 11.327 1.838 1.00 0.35 C ATOM 328 CD GLU A 22 24.504 12.639 1.283 1.00 0.51 C ATOM 329 OE1 GLU A 22 24.452 13.653 2.011 1.00 0.93 O ATOM 330 OE2 GLU A 22 24.962 12.653 0.121 1.00 0.44 O ATOM 0 H GLU A 22 24.809 9.260 0.450 1.00 0.27 H new ATOM 0 HA GLU A 22 26.689 11.089 1.257 1.00 0.29 H new ATOM 0 HB2 GLU A 22 24.624 9.606 2.938 1.00 0.31 H new ATOM 0 HB3 GLU A 22 25.416 11.095 3.413 1.00 0.31 H new ATOM 0 HG2 GLU A 22 23.575 10.730 1.024 1.00 0.35 H new ATOM 0 HG3 GLU A 22 23.168 11.528 2.530 1.00 0.35 H new ATOM 337 N GLY A 23 27.290 8.150 2.535 1.00 0.31 N ATOM 338 CA GLY A 23 28.275 7.400 3.294 1.00 0.34 C ATOM 339 C GLY A 23 27.886 7.239 4.750 1.00 0.34 C ATOM 340 O GLY A 23 28.619 6.636 5.534 1.00 0.39 O ATOM 0 H GLY A 23 26.589 7.581 2.061 1.00 0.31 H new ATOM 0 HA2 GLY A 23 28.403 6.415 2.844 1.00 0.34 H new ATOM 0 HA3 GLY A 23 29.239 7.906 3.232 1.00 0.34 H new ATOM 344 N THR A 24 26.726 7.781 5.113 1.00 0.34 N ATOM 345 CA THR A 24 26.234 7.697 6.483 1.00 0.38 C ATOM 346 C THR A 24 25.561 6.351 6.738 1.00 0.36 C ATOM 347 O THR A 24 24.698 6.231 7.608 1.00 0.40 O ATOM 348 CB THR A 24 25.223 8.824 6.780 1.00 0.41 C ATOM 349 OG1 THR A 24 24.863 8.810 8.166 1.00 1.23 O ATOM 350 CG2 THR A 24 23.973 8.670 5.928 1.00 1.39 C ATOM 0 H THR A 24 26.109 8.284 4.475 1.00 0.34 H new ATOM 0 HA THR A 24 27.096 7.804 7.142 1.00 0.38 H new ATOM 0 HB THR A 24 25.696 9.776 6.537 1.00 0.41 H new ATOM 0 HG1 THR A 24 24.694 7.888 8.451 1.00 1.23 H new ATOM 0 HG21 THR A 24 23.276 9.476 6.156 1.00 1.39 H new ATOM 0 HG22 THR A 24 24.244 8.712 4.873 1.00 1.39 H new ATOM 0 HG23 THR A 24 23.502 7.711 6.144 1.00 1.39 H new ATOM 358 N GLY A 25 25.964 5.336 5.977 1.00 0.34 N ATOM 359 CA GLY A 25 25.371 4.021 6.126 1.00 0.37 C ATOM 360 C GLY A 25 23.929 4.015 5.663 1.00 0.31 C ATOM 361 O GLY A 25 23.206 3.038 5.852 1.00 0.36 O ATOM 0 H GLY A 25 26.689 5.402 5.262 1.00 0.34 H new ATOM 0 HA2 GLY A 25 25.944 3.294 5.550 1.00 0.37 H new ATOM 0 HA3 GLY A 25 25.422 3.712 7.170 1.00 0.37 H new ATOM 365 N LYS A 26 23.523 5.123 5.050 1.00 0.27 N ATOM 366 CA LYS A 26 22.167 5.280 4.548 1.00 0.23 C ATOM 367 C LYS A 26 22.183 5.660 3.073 1.00 0.21 C ATOM 368 O LYS A 26 23.163 6.219 2.579 1.00 0.24 O ATOM 369 CB LYS A 26 21.429 6.354 5.348 1.00 0.25 C ATOM 370 CG LYS A 26 21.273 6.017 6.821 1.00 0.29 C ATOM 371 CD LYS A 26 21.031 7.266 7.656 1.00 0.51 C ATOM 372 CE LYS A 26 19.661 7.866 7.380 1.00 0.89 C ATOM 373 NZ LYS A 26 19.488 9.185 8.051 1.00 1.58 N ATOM 0 H LYS A 26 24.123 5.932 4.889 1.00 0.27 H new ATOM 0 HA LYS A 26 21.648 4.328 4.661 1.00 0.23 H new ATOM 0 HB2 LYS A 26 21.966 7.298 5.255 1.00 0.25 H new ATOM 0 HB3 LYS A 26 20.441 6.505 4.912 1.00 0.25 H new ATOM 0 HG2 LYS A 26 20.441 5.324 6.951 1.00 0.29 H new ATOM 0 HG3 LYS A 26 22.169 5.509 7.176 1.00 0.29 H new ATOM 0 HD2 LYS A 26 21.114 7.019 8.714 1.00 0.51 H new ATOM 0 HD3 LYS A 26 21.803 8.005 7.439 1.00 0.51 H new ATOM 0 HE2 LYS A 26 19.526 7.985 6.305 1.00 0.89 H new ATOM 0 HE3 LYS A 26 18.888 7.179 7.724 1.00 0.89 H new ATOM 0 HZ1 LYS A 26 18.542 9.561 7.839 1.00 1.58 H new ATOM 0 HZ2 LYS A 26 19.591 9.068 9.079 1.00 1.58 H new ATOM 0 HZ3 LYS A 26 20.210 9.848 7.704 1.00 1.58 H new ATOM 387 N ILE A 27 21.097 5.357 2.371 1.00 0.19 N ATOM 388 CA ILE A 27 21.003 5.676 0.950 1.00 0.20 C ATOM 389 C ILE A 27 19.889 6.678 0.689 1.00 0.19 C ATOM 390 O ILE A 27 18.932 6.776 1.456 1.00 0.23 O ATOM 391 CB ILE A 27 20.771 4.419 0.093 1.00 0.23 C ATOM 392 CG1 ILE A 27 19.352 3.885 0.290 1.00 0.26 C ATOM 393 CG2 ILE A 27 21.795 3.351 0.440 1.00 0.25 C ATOM 394 CD1 ILE A 27 18.623 3.638 -1.010 1.00 0.54 C ATOM 0 H ILE A 27 20.275 4.894 2.758 1.00 0.19 H new ATOM 0 HA ILE A 27 21.959 6.115 0.664 1.00 0.20 H new ATOM 0 HB ILE A 27 20.890 4.689 -0.956 1.00 0.23 H new ATOM 0 HG12 ILE A 27 19.396 2.955 0.857 1.00 0.26 H new ATOM 0 HG13 ILE A 27 18.783 4.596 0.889 1.00 0.26 H new ATOM 0 HG21 ILE A 27 21.620 2.467 -0.173 1.00 0.25 H new ATOM 0 HG22 ILE A 27 22.798 3.733 0.249 1.00 0.25 H new ATOM 0 HG23 ILE A 27 21.702 3.086 1.493 1.00 0.25 H new ATOM 0 HD11 ILE A 27 17.622 3.260 -0.800 1.00 0.54 H new ATOM 0 HD12 ILE A 27 18.549 4.571 -1.568 1.00 0.54 H new ATOM 0 HD13 ILE A 27 19.171 2.904 -1.601 1.00 0.54 H new ATOM 406 N ALA A 28 20.023 7.419 -0.404 1.00 0.23 N ATOM 407 CA ALA A 28 19.042 8.431 -0.763 1.00 0.25 C ATOM 408 C ALA A 28 17.725 7.808 -1.215 1.00 0.25 C ATOM 409 O ALA A 28 17.712 6.835 -1.968 1.00 0.28 O ATOM 410 CB ALA A 28 19.599 9.338 -1.849 1.00 0.31 C ATOM 0 H ALA A 28 20.803 7.337 -1.057 1.00 0.23 H new ATOM 0 HA ALA A 28 18.835 9.024 0.128 1.00 0.25 H new ATOM 0 HB1 ALA A 28 18.856 10.092 -2.110 1.00 0.31 H new ATOM 0 HB2 ALA A 28 20.502 9.829 -1.485 1.00 0.31 H new ATOM 0 HB3 ALA A 28 19.839 8.744 -2.731 1.00 0.31 H new ATOM 416 N THR A 29 16.618 8.372 -0.731 1.00 0.28 N ATOM 417 CA THR A 29 15.283 7.898 -1.091 1.00 0.31 C ATOM 418 C THR A 29 15.079 7.947 -2.601 1.00 0.32 C ATOM 419 O THR A 29 14.285 7.188 -3.156 1.00 0.34 O ATOM 420 CB THR A 29 14.185 8.744 -0.421 1.00 0.39 C ATOM 421 OG1 THR A 29 14.340 10.122 -0.782 1.00 0.40 O ATOM 422 CG2 THR A 29 14.239 8.604 1.091 1.00 0.43 C ATOM 0 H THR A 29 16.621 9.162 -0.085 1.00 0.28 H new ATOM 0 HA THR A 29 15.208 6.869 -0.740 1.00 0.31 H new ATOM 0 HB THR A 29 13.217 8.383 -0.769 1.00 0.39 H new ATOM 0 HG1 THR A 29 13.637 10.654 -0.353 1.00 0.40 H new ATOM 0 HG21 THR A 29 13.453 9.211 1.541 1.00 0.43 H new ATOM 0 HG22 THR A 29 14.092 7.559 1.365 1.00 0.43 H new ATOM 0 HG23 THR A 29 15.210 8.941 1.453 1.00 0.43 H new ATOM 430 N ARG A 30 15.797 8.855 -3.255 1.00 0.35 N ATOM 431 CA ARG A 30 15.704 9.013 -4.702 1.00 0.40 C ATOM 432 C ARG A 30 16.251 7.781 -5.413 1.00 0.40 C ATOM 433 O ARG A 30 16.028 7.586 -6.608 1.00 0.52 O ATOM 434 CB ARG A 30 16.482 10.253 -5.146 1.00 0.46 C ATOM 435 CG ARG A 30 16.108 11.514 -4.387 1.00 0.50 C ATOM 436 CD ARG A 30 17.116 12.626 -4.627 1.00 0.73 C ATOM 437 NE ARG A 30 18.456 12.254 -4.182 1.00 1.71 N ATOM 438 CZ ARG A 30 19.570 12.614 -4.813 1.00 2.26 C ATOM 439 NH1 ARG A 30 19.506 13.343 -5.919 1.00 2.04 N ATOM 440 NH2 ARG A 30 20.751 12.242 -4.339 1.00 3.39 N ATOM 0 H ARG A 30 16.451 9.494 -2.804 1.00 0.35 H new ATOM 0 HA ARG A 30 14.654 9.133 -4.967 1.00 0.40 H new ATOM 0 HB2 ARG A 30 17.548 10.066 -5.019 1.00 0.46 H new ATOM 0 HB3 ARG A 30 16.311 10.416 -6.210 1.00 0.46 H new ATOM 0 HG2 ARG A 30 15.117 11.846 -4.697 1.00 0.50 H new ATOM 0 HG3 ARG A 30 16.052 11.295 -3.321 1.00 0.50 H new ATOM 0 HD2 ARG A 30 17.141 12.870 -5.689 1.00 0.73 H new ATOM 0 HD3 ARG A 30 16.796 13.525 -4.101 1.00 0.73 H new ATOM 0 HE ARG A 30 18.543 11.686 -3.339 1.00 1.71 H new ATOM 0 HH11 ARG A 30 18.600 13.630 -6.289 1.00 2.04 H new ATOM 0 HH12 ARG A 30 20.363 13.617 -6.400 1.00 2.04 H new ATOM 0 HH21 ARG A 30 20.806 11.679 -3.490 1.00 3.39 H new ATOM 0 HH22 ARG A 30 21.605 12.518 -4.823 1.00 3.39 H new ATOM 454 N GLU A 31 16.970 6.953 -4.663 1.00 0.33 N ATOM 455 CA GLU A 31 17.558 5.735 -5.207 1.00 0.36 C ATOM 456 C GLU A 31 16.732 4.520 -4.807 1.00 0.31 C ATOM 457 O GLU A 31 16.957 3.414 -5.296 1.00 0.33 O ATOM 458 CB GLU A 31 18.994 5.569 -4.706 1.00 0.42 C ATOM 459 CG GLU A 31 19.730 6.887 -4.530 1.00 0.52 C ATOM 460 CD GLU A 31 21.192 6.697 -4.178 1.00 1.10 C ATOM 461 OE1 GLU A 31 21.972 6.300 -5.071 1.00 1.12 O ATOM 462 OE2 GLU A 31 21.557 6.942 -3.010 1.00 2.01 O ATOM 0 H GLU A 31 17.160 7.104 -3.672 1.00 0.33 H new ATOM 0 HA GLU A 31 17.566 5.815 -6.294 1.00 0.36 H new ATOM 0 HB2 GLU A 31 18.979 5.040 -3.753 1.00 0.42 H new ATOM 0 HB3 GLU A 31 19.546 4.945 -5.409 1.00 0.42 H new ATOM 0 HG2 GLU A 31 19.654 7.467 -5.450 1.00 0.52 H new ATOM 0 HG3 GLU A 31 19.244 7.468 -3.746 1.00 0.52 H new ATOM 469 N LEU A 32 15.777 4.738 -3.909 1.00 0.31 N ATOM 470 CA LEU A 32 14.912 3.667 -3.434 1.00 0.33 C ATOM 471 C LEU A 32 14.126 3.048 -4.585 1.00 0.29 C ATOM 472 O LEU A 32 14.066 1.827 -4.717 1.00 0.29 O ATOM 473 CB LEU A 32 13.950 4.194 -2.366 1.00 0.40 C ATOM 474 CG LEU A 32 12.856 3.215 -1.933 1.00 0.57 C ATOM 475 CD1 LEU A 32 13.464 1.919 -1.417 1.00 1.39 C ATOM 476 CD2 LEU A 32 11.971 3.846 -0.871 1.00 1.39 C ATOM 0 H LEU A 32 15.583 5.650 -3.495 1.00 0.31 H new ATOM 0 HA LEU A 32 15.543 2.894 -2.994 1.00 0.33 H new ATOM 0 HB2 LEU A 32 14.529 4.479 -1.487 1.00 0.40 H new ATOM 0 HB3 LEU A 32 13.476 5.100 -2.743 1.00 0.40 H new ATOM 0 HG LEU A 32 12.243 2.981 -2.803 1.00 0.57 H new ATOM 0 HD11 LEU A 32 12.668 1.239 -1.115 1.00 1.39 H new ATOM 0 HD12 LEU A 32 14.057 1.456 -2.206 1.00 1.39 H new ATOM 0 HD13 LEU A 32 14.103 2.133 -0.560 1.00 1.39 H new ATOM 0 HD21 LEU A 32 11.198 3.137 -0.574 1.00 1.39 H new ATOM 0 HD22 LEU A 32 12.575 4.109 -0.003 1.00 1.39 H new ATOM 0 HD23 LEU A 32 11.504 4.745 -1.274 1.00 1.39 H new ATOM 488 N GLY A 33 13.521 3.897 -5.411 1.00 0.33 N ATOM 489 CA GLY A 33 12.754 3.408 -6.542 1.00 0.35 C ATOM 490 C GLY A 33 13.582 2.523 -7.454 1.00 0.33 C ATOM 491 O GLY A 33 13.080 1.538 -7.995 1.00 0.41 O ATOM 0 H GLY A 33 13.548 4.912 -5.317 1.00 0.33 H new ATOM 0 HA2 GLY A 33 11.892 2.848 -6.180 1.00 0.35 H new ATOM 0 HA3 GLY A 33 12.369 4.254 -7.111 1.00 0.35 H new ATOM 495 N THR A 34 14.853 2.878 -7.626 1.00 0.30 N ATOM 496 CA THR A 34 15.754 2.101 -8.467 1.00 0.31 C ATOM 497 C THR A 34 16.184 0.832 -7.741 1.00 0.27 C ATOM 498 O THR A 34 16.394 -0.214 -8.358 1.00 0.30 O ATOM 499 CB THR A 34 17.004 2.915 -8.853 1.00 0.37 C ATOM 500 OG1 THR A 34 16.615 4.192 -9.374 1.00 0.42 O ATOM 501 CG2 THR A 34 17.833 2.173 -9.888 1.00 0.41 C ATOM 0 H THR A 34 15.280 3.698 -7.194 1.00 0.30 H new ATOM 0 HA THR A 34 15.215 1.841 -9.378 1.00 0.31 H new ATOM 0 HB THR A 34 17.610 3.056 -7.958 1.00 0.37 H new ATOM 0 HG1 THR A 34 17.415 4.704 -9.615 1.00 0.42 H new ATOM 0 HG21 THR A 34 18.710 2.767 -10.145 1.00 0.41 H new ATOM 0 HG22 THR A 34 18.151 1.214 -9.480 1.00 0.41 H new ATOM 0 HG23 THR A 34 17.233 2.006 -10.783 1.00 0.41 H new ATOM 509 N LEU A 35 16.311 0.938 -6.422 1.00 0.27 N ATOM 510 CA LEU A 35 16.700 -0.193 -5.590 1.00 0.30 C ATOM 511 C LEU A 35 15.570 -1.213 -5.535 1.00 0.31 C ATOM 512 O LEU A 35 15.794 -2.399 -5.293 1.00 0.37 O ATOM 513 CB LEU A 35 17.041 0.289 -4.175 1.00 0.35 C ATOM 514 CG LEU A 35 17.357 -0.816 -3.162 1.00 0.50 C ATOM 515 CD1 LEU A 35 18.551 -1.638 -3.620 1.00 1.23 C ATOM 516 CD2 LEU A 35 17.616 -0.215 -1.790 1.00 1.25 C ATOM 0 H LEU A 35 16.149 1.802 -5.905 1.00 0.27 H new ATOM 0 HA LEU A 35 17.581 -0.665 -6.025 1.00 0.30 H new ATOM 0 HB2 LEU A 35 17.898 0.959 -4.235 1.00 0.35 H new ATOM 0 HB3 LEU A 35 16.203 0.876 -3.798 1.00 0.35 H new ATOM 0 HG LEU A 35 16.494 -1.479 -3.093 1.00 0.50 H new ATOM 0 HD11 LEU A 35 18.759 -2.417 -2.887 1.00 1.23 H new ATOM 0 HD12 LEU A 35 18.329 -2.096 -4.584 1.00 1.23 H new ATOM 0 HD13 LEU A 35 19.422 -0.990 -3.718 1.00 1.23 H new ATOM 0 HD21 LEU A 35 17.839 -1.011 -1.080 1.00 1.25 H new ATOM 0 HD22 LEU A 35 18.463 0.469 -1.846 1.00 1.25 H new ATOM 0 HD23 LEU A 35 16.732 0.329 -1.458 1.00 1.25 H new ATOM 528 N MET A 36 14.355 -0.733 -5.764 1.00 0.35 N ATOM 529 CA MET A 36 13.172 -1.581 -5.744 1.00 0.43 C ATOM 530 C MET A 36 13.020 -2.343 -7.052 1.00 0.43 C ATOM 531 O MET A 36 12.827 -3.556 -7.053 1.00 0.54 O ATOM 532 CB MET A 36 11.929 -0.734 -5.483 1.00 0.56 C ATOM 533 CG MET A 36 11.806 -0.280 -4.040 1.00 0.59 C ATOM 534 SD MET A 36 11.639 -1.669 -2.908 1.00 1.21 S ATOM 535 CE MET A 36 10.888 -0.867 -1.499 1.00 0.72 C ATOM 0 H MET A 36 14.163 0.248 -5.967 1.00 0.35 H new ATOM 0 HA MET A 36 13.288 -2.309 -4.941 1.00 0.43 H new ATOM 0 HB2 MET A 36 11.951 0.142 -6.132 1.00 0.56 H new ATOM 0 HB3 MET A 36 11.043 -1.308 -5.753 1.00 0.56 H new ATOM 0 HG2 MET A 36 12.684 0.306 -3.768 1.00 0.59 H new ATOM 0 HG3 MET A 36 10.941 0.376 -3.939 1.00 0.59 H new ATOM 0 HE1 MET A 36 10.285 -1.589 -0.948 1.00 0.72 H new ATOM 0 HE2 MET A 36 11.667 -0.472 -0.847 1.00 0.72 H new ATOM 0 HE3 MET A 36 10.253 -0.050 -1.841 1.00 0.72 H new ATOM 545 N ARG A 37 13.103 -1.623 -8.163 1.00 0.42 N ATOM 546 CA ARG A 37 12.971 -2.234 -9.482 1.00 0.47 C ATOM 547 C ARG A 37 14.025 -3.318 -9.707 1.00 0.43 C ATOM 548 O ARG A 37 13.750 -4.336 -10.342 1.00 0.47 O ATOM 549 CB ARG A 37 13.074 -1.172 -10.581 1.00 0.55 C ATOM 550 CG ARG A 37 14.434 -0.497 -10.659 1.00 0.95 C ATOM 551 CD ARG A 37 14.548 0.381 -11.894 1.00 1.20 C ATOM 552 NE ARG A 37 14.332 -0.377 -13.124 1.00 1.99 N ATOM 553 CZ ARG A 37 14.299 0.171 -14.334 1.00 2.52 C ATOM 554 NH1 ARG A 37 14.473 1.479 -14.479 1.00 2.46 N ATOM 555 NH2 ARG A 37 14.093 -0.588 -15.403 1.00 3.51 N ATOM 0 H ARG A 37 13.261 -0.615 -8.179 1.00 0.42 H new ATOM 0 HA ARG A 37 11.987 -2.702 -9.527 1.00 0.47 H new ATOM 0 HB2 ARG A 37 12.854 -1.636 -11.543 1.00 0.55 H new ATOM 0 HB3 ARG A 37 12.311 -0.412 -10.411 1.00 0.55 H new ATOM 0 HG2 ARG A 37 14.594 0.107 -9.766 1.00 0.95 H new ATOM 0 HG3 ARG A 37 15.217 -1.255 -10.676 1.00 0.95 H new ATOM 0 HD2 ARG A 37 13.819 1.189 -11.833 1.00 1.20 H new ATOM 0 HD3 ARG A 37 15.535 0.843 -11.921 1.00 1.20 H new ATOM 0 HE ARG A 37 14.199 -1.386 -13.050 1.00 1.99 H new ATOM 0 HH11 ARG A 37 14.633 2.066 -13.660 1.00 2.46 H new ATOM 0 HH12 ARG A 37 14.447 1.897 -15.409 1.00 2.46 H new ATOM 0 HH21 ARG A 37 13.960 -1.594 -15.296 1.00 3.51 H new ATOM 0 HH22 ARG A 37 14.068 -0.166 -16.331 1.00 3.51 H new ATOM 569 N THR A 38 15.230 -3.100 -9.183 1.00 0.39 N ATOM 570 CA THR A 38 16.314 -4.067 -9.341 1.00 0.39 C ATOM 571 C THR A 38 16.104 -5.289 -8.449 1.00 0.36 C ATOM 572 O THR A 38 16.748 -6.321 -8.632 1.00 0.39 O ATOM 573 CB THR A 38 17.685 -3.440 -9.024 1.00 0.40 C ATOM 574 OG1 THR A 38 18.726 -4.395 -9.260 1.00 0.46 O ATOM 575 CG2 THR A 38 17.748 -2.966 -7.580 1.00 0.32 C ATOM 0 H THR A 38 15.479 -2.268 -8.649 1.00 0.39 H new ATOM 0 HA THR A 38 16.302 -4.380 -10.385 1.00 0.39 H new ATOM 0 HB THR A 38 17.823 -2.579 -9.678 1.00 0.40 H new ATOM 0 HG1 THR A 38 18.358 -5.301 -9.199 1.00 0.46 H new ATOM 0 HG21 THR A 38 18.726 -2.528 -7.383 1.00 0.32 H new ATOM 0 HG22 THR A 38 16.974 -2.218 -7.409 1.00 0.32 H new ATOM 0 HG23 THR A 38 17.589 -3.812 -6.912 1.00 0.32 H new ATOM 583 N LEU A 39 15.199 -5.159 -7.485 1.00 0.33 N ATOM 584 CA LEU A 39 14.893 -6.247 -6.563 1.00 0.34 C ATOM 585 C LEU A 39 13.454 -6.723 -6.755 1.00 0.40 C ATOM 586 O LEU A 39 12.613 -5.990 -7.273 1.00 0.43 O ATOM 587 CB LEU A 39 15.112 -5.794 -5.118 1.00 0.32 C ATOM 588 CG LEU A 39 16.536 -5.339 -4.792 1.00 0.44 C ATOM 589 CD1 LEU A 39 16.591 -4.688 -3.420 1.00 1.05 C ATOM 590 CD2 LEU A 39 17.505 -6.508 -4.855 1.00 1.15 C ATOM 0 H LEU A 39 14.662 -4.307 -7.321 1.00 0.33 H new ATOM 0 HA LEU A 39 15.564 -7.079 -6.776 1.00 0.34 H new ATOM 0 HB2 LEU A 39 14.426 -4.975 -4.902 1.00 0.32 H new ATOM 0 HB3 LEU A 39 14.847 -6.615 -4.452 1.00 0.32 H new ATOM 0 HG LEU A 39 16.832 -4.603 -5.540 1.00 0.44 H new ATOM 0 HD11 LEU A 39 17.612 -4.372 -3.208 1.00 1.05 H new ATOM 0 HD12 LEU A 39 15.931 -3.820 -3.402 1.00 1.05 H new ATOM 0 HD13 LEU A 39 16.269 -5.404 -2.664 1.00 1.05 H new ATOM 0 HD21 LEU A 39 18.511 -6.160 -4.620 1.00 1.15 H new ATOM 0 HD22 LEU A 39 17.206 -7.268 -4.133 1.00 1.15 H new ATOM 0 HD23 LEU A 39 17.494 -6.936 -5.858 1.00 1.15 H new ATOM 602 N GLY A 40 13.182 -7.961 -6.354 1.00 0.45 N ATOM 603 CA GLY A 40 11.843 -8.514 -6.495 1.00 0.52 C ATOM 604 C GLY A 40 10.777 -7.685 -5.794 1.00 0.49 C ATOM 605 O GLY A 40 9.589 -7.994 -5.882 1.00 0.64 O ATOM 0 H GLY A 40 13.864 -8.593 -5.934 1.00 0.45 H new ATOM 0 HA2 GLY A 40 11.597 -8.590 -7.554 1.00 0.52 H new ATOM 0 HA3 GLY A 40 11.830 -9.527 -6.092 1.00 0.52 H new ATOM 609 N GLN A 41 11.203 -6.636 -5.097 1.00 0.46 N ATOM 610 CA GLN A 41 10.283 -5.759 -4.379 1.00 0.44 C ATOM 611 C GLN A 41 9.495 -4.868 -5.335 1.00 0.48 C ATOM 612 O GLN A 41 9.837 -4.744 -6.511 1.00 1.01 O ATOM 613 CB GLN A 41 11.063 -4.893 -3.388 1.00 0.48 C ATOM 614 CG GLN A 41 11.326 -5.571 -2.054 1.00 0.54 C ATOM 615 CD GLN A 41 11.474 -7.077 -2.178 1.00 1.55 C ATOM 616 OE1 GLN A 41 12.566 -7.589 -2.424 1.00 2.37 O ATOM 617 NE2 GLN A 41 10.368 -7.794 -2.011 1.00 2.20 N ATOM 0 H GLN A 41 12.185 -6.371 -5.014 1.00 0.46 H new ATOM 0 HA GLN A 41 9.571 -6.386 -3.842 1.00 0.44 H new ATOM 0 HB2 GLN A 41 12.016 -4.613 -3.837 1.00 0.48 H new ATOM 0 HB3 GLN A 41 10.510 -3.970 -3.213 1.00 0.48 H new ATOM 0 HG2 GLN A 41 12.233 -5.157 -1.614 1.00 0.54 H new ATOM 0 HG3 GLN A 41 10.508 -5.346 -1.370 1.00 0.54 H new ATOM 0 HE21 GLN A 41 9.484 -7.328 -1.808 1.00 2.20 H new ATOM 0 HE22 GLN A 41 10.403 -8.811 -2.085 1.00 2.20 H new ATOM 626 N ASN A 42 8.437 -4.250 -4.813 1.00 0.52 N ATOM 627 CA ASN A 42 7.594 -3.361 -5.606 1.00 0.53 C ATOM 628 C ASN A 42 6.631 -2.578 -4.708 1.00 0.51 C ATOM 629 O ASN A 42 5.463 -2.938 -4.571 1.00 0.59 O ATOM 630 CB ASN A 42 6.814 -4.159 -6.659 1.00 0.66 C ATOM 631 CG ASN A 42 5.991 -5.282 -6.057 1.00 1.27 C ATOM 632 OD1 ASN A 42 4.707 -5.024 -5.836 1.00 2.15 O flip ATOM 633 ND2 ASN A 42 6.501 -6.374 -5.804 1.00 1.71 N flip ATOM 0 H ASN A 42 8.144 -4.350 -3.841 1.00 0.52 H new ATOM 0 HA ASN A 42 8.240 -2.647 -6.118 1.00 0.53 H new ATOM 0 HB2 ASN A 42 6.155 -3.484 -7.204 1.00 0.66 H new ATOM 0 HB3 ASN A 42 7.513 -4.576 -7.384 1.00 0.66 H new ATOM 0 HD21 ASN A 42 7.492 -6.529 -5.990 1.00 1.71 H new ATOM 0 HD22 ASN A 42 5.933 -7.123 -5.409 1.00 1.71 H new ATOM 640 N PRO A 43 7.112 -1.487 -4.081 1.00 0.47 N ATOM 641 CA PRO A 43 6.286 -0.654 -3.196 1.00 0.54 C ATOM 642 C PRO A 43 5.177 0.064 -3.950 1.00 0.54 C ATOM 643 O PRO A 43 5.365 0.491 -5.090 1.00 0.64 O ATOM 644 CB PRO A 43 7.284 0.368 -2.643 1.00 0.53 C ATOM 645 CG PRO A 43 8.338 0.443 -3.688 1.00 0.46 C ATOM 646 CD PRO A 43 8.489 -0.965 -4.181 1.00 0.45 C ATOM 0 HA PRO A 43 5.784 -1.247 -2.432 1.00 0.54 H new ATOM 0 HB2 PRO A 43 6.813 1.338 -2.480 1.00 0.53 H new ATOM 0 HB3 PRO A 43 7.694 0.048 -1.685 1.00 0.53 H new ATOM 0 HG2 PRO A 43 8.048 1.116 -4.495 1.00 0.46 H new ATOM 0 HG3 PRO A 43 9.275 0.821 -3.279 1.00 0.46 H new ATOM 0 HD2 PRO A 43 8.863 -0.999 -5.204 1.00 0.45 H new ATOM 0 HD3 PRO A 43 9.186 -1.537 -3.568 1.00 0.45 H new ATOM 654 N THR A 44 4.020 0.195 -3.311 1.00 0.59 N ATOM 655 CA THR A 44 2.893 0.880 -3.923 1.00 0.65 C ATOM 656 C THR A 44 3.260 2.332 -4.204 1.00 0.57 C ATOM 657 O THR A 44 4.076 2.914 -3.488 1.00 0.51 O ATOM 658 CB THR A 44 1.644 0.831 -3.022 1.00 0.78 C ATOM 659 OG1 THR A 44 1.365 -0.523 -2.647 1.00 1.05 O ATOM 660 CG2 THR A 44 0.435 1.422 -3.732 1.00 1.02 C ATOM 0 H THR A 44 3.840 -0.163 -2.373 1.00 0.59 H new ATOM 0 HA THR A 44 2.659 0.368 -4.857 1.00 0.65 H new ATOM 0 HB THR A 44 1.846 1.424 -2.130 1.00 0.78 H new ATOM 0 HG1 THR A 44 0.571 -0.547 -2.073 1.00 1.05 H new ATOM 0 HG21 THR A 44 -0.433 1.375 -3.074 1.00 1.02 H new ATOM 0 HG22 THR A 44 0.637 2.461 -3.992 1.00 1.02 H new ATOM 0 HG23 THR A 44 0.233 0.854 -4.640 1.00 1.02 H new ATOM 668 N GLU A 45 2.672 2.909 -5.246 1.00 0.61 N ATOM 669 CA GLU A 45 2.958 4.293 -5.616 1.00 0.61 C ATOM 670 C GLU A 45 2.982 5.195 -4.388 1.00 0.60 C ATOM 671 O GLU A 45 3.918 5.970 -4.193 1.00 0.56 O ATOM 672 CB GLU A 45 1.925 4.809 -6.621 1.00 0.75 C ATOM 673 CG GLU A 45 1.946 4.082 -7.956 1.00 1.33 C ATOM 674 CD GLU A 45 1.389 2.674 -7.867 1.00 2.16 C ATOM 675 OE1 GLU A 45 0.150 2.524 -7.881 1.00 2.69 O ATOM 676 OE2 GLU A 45 2.194 1.722 -7.784 1.00 2.64 O ATOM 0 H GLU A 45 1.995 2.442 -5.850 1.00 0.61 H new ATOM 0 HA GLU A 45 3.944 4.314 -6.080 1.00 0.61 H new ATOM 0 HB2 GLU A 45 0.931 4.717 -6.184 1.00 0.75 H new ATOM 0 HB3 GLU A 45 2.100 5.871 -6.794 1.00 0.75 H new ATOM 0 HG2 GLU A 45 1.368 4.651 -8.684 1.00 1.33 H new ATOM 0 HG3 GLU A 45 2.971 4.040 -8.326 1.00 1.33 H new ATOM 683 N ALA A 46 1.952 5.080 -3.558 1.00 0.66 N ATOM 684 CA ALA A 46 1.849 5.887 -2.350 1.00 0.70 C ATOM 685 C ALA A 46 3.045 5.686 -1.432 1.00 0.64 C ATOM 686 O ALA A 46 3.555 6.642 -0.857 1.00 0.66 O ATOM 687 CB ALA A 46 0.571 5.556 -1.603 1.00 0.83 C ATOM 0 H ALA A 46 1.175 4.434 -3.701 1.00 0.66 H new ATOM 0 HA ALA A 46 1.832 6.932 -2.658 1.00 0.70 H new ATOM 0 HB1 ALA A 46 0.507 6.167 -0.702 1.00 0.83 H new ATOM 0 HB2 ALA A 46 -0.288 5.762 -2.242 1.00 0.83 H new ATOM 0 HB3 ALA A 46 0.574 4.502 -1.327 1.00 0.83 H new ATOM 693 N GLU A 47 3.482 4.439 -1.290 1.00 0.62 N ATOM 694 CA GLU A 47 4.613 4.117 -0.426 1.00 0.62 C ATOM 695 C GLU A 47 5.850 4.926 -0.806 1.00 0.50 C ATOM 696 O GLU A 47 6.425 5.630 0.026 1.00 0.48 O ATOM 697 CB GLU A 47 4.932 2.623 -0.498 1.00 0.69 C ATOM 698 CG GLU A 47 6.052 2.196 0.437 1.00 0.75 C ATOM 699 CD GLU A 47 5.676 2.336 1.899 1.00 1.31 C ATOM 700 OE1 GLU A 47 5.077 1.389 2.452 1.00 1.34 O ATOM 701 OE2 GLU A 47 5.980 3.391 2.493 1.00 2.23 O ATOM 0 H GLU A 47 3.070 3.634 -1.762 1.00 0.62 H new ATOM 0 HA GLU A 47 4.333 4.377 0.595 1.00 0.62 H new ATOM 0 HB2 GLU A 47 4.033 2.056 -0.258 1.00 0.69 H new ATOM 0 HB3 GLU A 47 5.206 2.367 -1.521 1.00 0.69 H new ATOM 0 HG2 GLU A 47 6.316 1.159 0.231 1.00 0.75 H new ATOM 0 HG3 GLU A 47 6.938 2.797 0.234 1.00 0.75 H new ATOM 708 N LEU A 48 6.250 4.831 -2.070 1.00 0.45 N ATOM 709 CA LEU A 48 7.427 5.547 -2.549 1.00 0.39 C ATOM 710 C LEU A 48 7.243 7.051 -2.368 1.00 0.35 C ATOM 711 O LEU A 48 8.204 7.796 -2.182 1.00 0.34 O ATOM 712 CB LEU A 48 7.690 5.211 -4.019 1.00 0.40 C ATOM 713 CG LEU A 48 9.121 5.460 -4.497 1.00 0.66 C ATOM 714 CD1 LEU A 48 10.074 4.453 -3.870 1.00 1.42 C ATOM 715 CD2 LEU A 48 9.196 5.391 -6.016 1.00 1.39 C ATOM 0 H LEU A 48 5.779 4.268 -2.778 1.00 0.45 H new ATOM 0 HA LEU A 48 8.290 5.233 -1.963 1.00 0.39 H new ATOM 0 HB2 LEU A 48 7.446 4.162 -4.185 1.00 0.40 H new ATOM 0 HB3 LEU A 48 7.010 5.798 -4.637 1.00 0.40 H new ATOM 0 HG LEU A 48 9.420 6.460 -4.183 1.00 0.66 H new ATOM 0 HD11 LEU A 48 11.088 4.644 -4.221 1.00 1.42 H new ATOM 0 HD12 LEU A 48 10.041 4.548 -2.785 1.00 1.42 H new ATOM 0 HD13 LEU A 48 9.776 3.444 -4.155 1.00 1.42 H new ATOM 0 HD21 LEU A 48 10.222 5.571 -6.338 1.00 1.39 H new ATOM 0 HD22 LEU A 48 8.878 4.404 -6.352 1.00 1.39 H new ATOM 0 HD23 LEU A 48 8.542 6.149 -6.447 1.00 1.39 H new ATOM 727 N GLN A 49 5.996 7.489 -2.414 1.00 0.45 N ATOM 728 CA GLN A 49 5.673 8.897 -2.240 1.00 0.52 C ATOM 729 C GLN A 49 5.679 9.262 -0.763 1.00 0.54 C ATOM 730 O GLN A 49 5.812 10.428 -0.396 1.00 0.58 O ATOM 731 CB GLN A 49 4.297 9.184 -2.818 1.00 0.67 C ATOM 732 CG GLN A 49 4.222 9.026 -4.329 1.00 0.70 C ATOM 733 CD GLN A 49 5.167 9.956 -5.064 1.00 0.77 C ATOM 734 OE1 GLN A 49 5.469 11.054 -4.595 1.00 1.21 O ATOM 735 NE2 GLN A 49 5.641 9.520 -6.226 1.00 1.02 N ATOM 0 H GLN A 49 5.187 6.888 -2.571 1.00 0.45 H new ATOM 0 HA GLN A 49 6.423 9.492 -2.760 1.00 0.52 H new ATOM 0 HB2 GLN A 49 3.572 8.515 -2.355 1.00 0.67 H new ATOM 0 HB3 GLN A 49 4.007 10.201 -2.553 1.00 0.67 H new ATOM 0 HG2 GLN A 49 4.455 7.995 -4.594 1.00 0.70 H new ATOM 0 HG3 GLN A 49 3.201 9.217 -4.660 1.00 0.70 H new ATOM 0 HE21 GLN A 49 5.365 8.603 -6.578 1.00 1.02 H new ATOM 0 HE22 GLN A 49 6.281 10.102 -6.766 1.00 1.02 H new ATOM 744 N ASP A 50 5.530 8.246 0.075 1.00 0.59 N ATOM 745 CA ASP A 50 5.496 8.437 1.515 1.00 0.68 C ATOM 746 C ASP A 50 6.863 8.825 2.050 1.00 0.59 C ATOM 747 O ASP A 50 6.997 9.853 2.715 1.00 0.57 O ATOM 748 CB ASP A 50 4.993 7.177 2.224 1.00 0.88 C ATOM 749 CG ASP A 50 3.500 6.974 2.051 1.00 1.05 C ATOM 750 OD1 ASP A 50 2.737 7.926 2.324 1.00 1.09 O ATOM 751 OD2 ASP A 50 3.092 5.866 1.644 1.00 1.19 O ATOM 0 H ASP A 50 5.430 7.275 -0.222 1.00 0.59 H new ATOM 0 HA ASP A 50 4.802 9.252 1.720 1.00 0.68 H new ATOM 0 HB2 ASP A 50 5.523 6.308 1.834 1.00 0.88 H new ATOM 0 HB3 ASP A 50 5.227 7.243 3.286 1.00 0.88 H new ATOM 756 N LEU A 51 7.887 8.016 1.771 1.00 0.60 N ATOM 757 CA LEU A 51 9.205 8.335 2.257 1.00 0.64 C ATOM 758 C LEU A 51 9.898 9.413 1.428 1.00 0.54 C ATOM 759 O LEU A 51 10.810 10.072 1.921 1.00 0.64 O ATOM 760 CB LEU A 51 10.077 7.092 2.344 1.00 0.76 C ATOM 761 CG LEU A 51 9.978 6.064 1.218 1.00 0.40 C ATOM 762 CD1 LEU A 51 8.856 5.072 1.460 1.00 0.86 C ATOM 763 CD2 LEU A 51 9.861 6.699 -0.158 1.00 0.84 C ATOM 0 H LEU A 51 7.820 7.158 1.223 1.00 0.60 H new ATOM 0 HA LEU A 51 9.068 8.740 3.260 1.00 0.64 H new ATOM 0 HB2 LEU A 51 11.115 7.417 2.409 1.00 0.76 H new ATOM 0 HB3 LEU A 51 9.843 6.585 3.280 1.00 0.76 H new ATOM 0 HG LEU A 51 10.920 5.517 1.229 1.00 0.40 H new ATOM 0 HD11 LEU A 51 8.818 4.358 0.638 1.00 0.86 H new ATOM 0 HD12 LEU A 51 9.036 4.540 2.394 1.00 0.86 H new ATOM 0 HD13 LEU A 51 7.907 5.604 1.522 1.00 0.86 H new ATOM 0 HD21 LEU A 51 9.794 5.917 -0.915 1.00 0.84 H new ATOM 0 HD22 LEU A 51 8.966 7.320 -0.197 1.00 0.84 H new ATOM 0 HD23 LEU A 51 10.739 7.316 -0.350 1.00 0.84 H new ATOM 775 N ILE A 52 9.492 9.603 0.172 1.00 0.44 N ATOM 776 CA ILE A 52 10.120 10.634 -0.643 1.00 0.48 C ATOM 777 C ILE A 52 9.625 12.000 -0.208 1.00 0.53 C ATOM 778 O ILE A 52 10.384 12.959 -0.197 1.00 0.68 O ATOM 779 CB ILE A 52 9.864 10.459 -2.154 1.00 0.48 C ATOM 780 CG1 ILE A 52 10.640 9.251 -2.687 1.00 0.48 C ATOM 781 CG2 ILE A 52 10.262 11.724 -2.908 1.00 0.67 C ATOM 782 CD1 ILE A 52 10.344 8.931 -4.138 1.00 0.54 C ATOM 0 H ILE A 52 8.753 9.072 -0.289 1.00 0.44 H new ATOM 0 HA ILE A 52 11.195 10.542 -0.488 1.00 0.48 H new ATOM 0 HB ILE A 52 8.800 10.284 -2.311 1.00 0.48 H new ATOM 0 HG12 ILE A 52 11.708 9.438 -2.576 1.00 0.48 H new ATOM 0 HG13 ILE A 52 10.404 8.380 -2.076 1.00 0.48 H new ATOM 0 HG21 ILE A 52 10.076 11.586 -3.973 1.00 0.67 H new ATOM 0 HG22 ILE A 52 9.674 12.566 -2.543 1.00 0.67 H new ATOM 0 HG23 ILE A 52 11.321 11.925 -2.748 1.00 0.67 H new ATOM 0 HD11 ILE A 52 10.929 8.064 -4.446 1.00 0.54 H new ATOM 0 HD12 ILE A 52 9.283 8.712 -4.253 1.00 0.54 H new ATOM 0 HD13 ILE A 52 10.607 9.786 -4.760 1.00 0.54 H new ATOM 794 N ALA A 53 8.347 12.077 0.150 1.00 0.50 N ATOM 795 CA ALA A 53 7.754 13.330 0.598 1.00 0.60 C ATOM 796 C ALA A 53 8.201 13.664 2.016 1.00 0.64 C ATOM 797 O ALA A 53 8.401 14.831 2.354 1.00 0.73 O ATOM 798 CB ALA A 53 6.236 13.258 0.524 1.00 0.67 C ATOM 0 H ALA A 53 7.703 11.286 0.138 1.00 0.50 H new ATOM 0 HA ALA A 53 8.097 14.124 -0.065 1.00 0.60 H new ATOM 0 HB1 ALA A 53 5.810 14.203 0.862 1.00 0.67 H new ATOM 0 HB2 ALA A 53 5.930 13.070 -0.505 1.00 0.67 H new ATOM 0 HB3 ALA A 53 5.879 12.450 1.162 1.00 0.67 H new ATOM 804 N GLU A 54 8.353 12.634 2.843 1.00 0.63 N ATOM 805 CA GLU A 54 8.786 12.823 4.223 1.00 0.72 C ATOM 806 C GLU A 54 10.283 13.104 4.273 1.00 0.66 C ATOM 807 O GLU A 54 10.715 14.118 4.823 1.00 0.72 O ATOM 808 CB GLU A 54 8.452 11.589 5.063 1.00 0.81 C ATOM 809 CG GLU A 54 8.833 11.730 6.529 1.00 1.18 C ATOM 810 CD GLU A 54 8.431 10.523 7.353 1.00 1.71 C ATOM 811 OE1 GLU A 54 9.220 9.557 7.415 1.00 2.45 O ATOM 812 OE2 GLU A 54 7.327 10.545 7.938 1.00 1.82 O ATOM 0 H GLU A 54 8.183 11.663 2.582 1.00 0.63 H new ATOM 0 HA GLU A 54 8.254 13.679 4.638 1.00 0.72 H new ATOM 0 HB2 GLU A 54 7.383 11.389 4.992 1.00 0.81 H new ATOM 0 HB3 GLU A 54 8.966 10.724 4.644 1.00 0.81 H new ATOM 0 HG2 GLU A 54 9.910 11.877 6.608 1.00 1.18 H new ATOM 0 HG3 GLU A 54 8.358 12.621 6.940 1.00 1.18 H new ATOM 819 N ALA A 55 11.072 12.201 3.698 1.00 0.58 N ATOM 820 CA ALA A 55 12.520 12.364 3.658 1.00 0.56 C ATOM 821 C ALA A 55 12.916 13.472 2.682 1.00 0.58 C ATOM 822 O ALA A 55 14.073 13.895 2.647 1.00 0.62 O ATOM 823 CB ALA A 55 13.189 11.051 3.287 1.00 0.56 C ATOM 0 H ALA A 55 10.732 11.348 3.253 1.00 0.58 H new ATOM 0 HA ALA A 55 12.862 12.656 4.651 1.00 0.56 H new ATOM 0 HB1 ALA A 55 14.270 11.188 3.261 1.00 0.56 H new ATOM 0 HB2 ALA A 55 12.937 10.292 4.028 1.00 0.56 H new ATOM 0 HB3 ALA A 55 12.840 10.730 2.306 1.00 0.56 H new ATOM 829 N GLU A 56 11.945 13.926 1.884 1.00 0.59 N ATOM 830 CA GLU A 56 12.168 14.972 0.881 1.00 0.65 C ATOM 831 C GLU A 56 13.134 16.046 1.371 1.00 0.72 C ATOM 832 O GLU A 56 14.147 16.322 0.729 1.00 0.77 O ATOM 833 CB GLU A 56 10.841 15.648 0.519 1.00 0.72 C ATOM 834 CG GLU A 56 10.949 16.627 -0.640 1.00 0.82 C ATOM 835 CD GLU A 56 11.495 15.985 -1.899 1.00 1.52 C ATOM 836 OE1 GLU A 56 10.700 15.390 -2.656 1.00 1.79 O ATOM 837 OE2 GLU A 56 12.720 16.078 -2.130 1.00 2.45 O ATOM 0 H GLU A 56 10.986 13.581 1.915 1.00 0.59 H new ATOM 0 HA GLU A 56 12.604 14.483 0.010 1.00 0.65 H new ATOM 0 HB2 GLU A 56 10.109 14.880 0.267 1.00 0.72 H new ATOM 0 HB3 GLU A 56 10.462 16.175 1.394 1.00 0.72 H new ATOM 0 HG2 GLU A 56 9.965 17.047 -0.849 1.00 0.82 H new ATOM 0 HG3 GLU A 56 11.594 17.456 -0.351 1.00 0.82 H new ATOM 844 N ASN A 57 12.814 16.647 2.511 1.00 0.77 N ATOM 845 CA ASN A 57 13.643 17.707 3.067 1.00 0.88 C ATOM 846 C ASN A 57 13.747 17.601 4.586 1.00 0.82 C ATOM 847 O ASN A 57 12.863 18.056 5.313 1.00 1.21 O ATOM 848 CB ASN A 57 13.066 19.065 2.669 1.00 1.17 C ATOM 849 CG ASN A 57 11.565 19.135 2.884 1.00 1.21 C ATOM 850 OD1 ASN A 57 10.805 18.531 1.973 1.00 1.80 O flip ATOM 851 ND2 ASN A 57 11.095 19.708 3.865 1.00 1.19 N flip ATOM 0 H ASN A 57 11.989 16.419 3.066 1.00 0.77 H new ATOM 0 HA ASN A 57 14.650 17.603 2.663 1.00 0.88 H new ATOM 0 HB2 ASN A 57 13.552 19.849 3.250 1.00 1.17 H new ATOM 0 HB3 ASN A 57 13.291 19.260 1.620 1.00 1.17 H new ATOM 0 HD21 ASN A 57 11.715 20.158 4.538 1.00 1.19 H new ATOM 0 HD22 ASN A 57 10.085 19.733 4.005 1.00 1.19 H new ATOM 858 N ASN A 58 14.837 16.999 5.054 1.00 1.05 N ATOM 859 CA ASN A 58 15.073 16.830 6.484 1.00 1.01 C ATOM 860 C ASN A 58 16.442 16.208 6.733 1.00 0.95 C ATOM 861 O ASN A 58 17.043 16.406 7.790 1.00 1.57 O ATOM 862 CB ASN A 58 13.985 15.951 7.111 1.00 1.04 C ATOM 863 CG ASN A 58 14.179 15.760 8.605 1.00 1.42 C ATOM 864 OD1 ASN A 58 14.732 16.772 9.267 1.00 1.82 O flip ATOM 865 ND2 ASN A 58 13.833 14.717 9.159 1.00 1.89 N flip ATOM 0 H ASN A 58 15.574 16.619 4.460 1.00 1.05 H new ATOM 0 HA ASN A 58 15.043 17.816 6.948 1.00 1.01 H new ATOM 0 HB2 ASN A 58 13.009 16.402 6.930 1.00 1.04 H new ATOM 0 HB3 ASN A 58 13.982 14.977 6.621 1.00 1.04 H new ATOM 0 HD21 ASN A 58 13.412 13.965 8.613 1.00 1.89 H new ATOM 0 HD22 ASN A 58 13.967 14.605 10.164 1.00 1.89 H new ATOM 872 N ASN A 59 16.932 15.459 5.750 1.00 0.75 N ATOM 873 CA ASN A 59 18.228 14.802 5.865 1.00 0.73 C ATOM 874 C ASN A 59 18.695 14.272 4.510 1.00 0.84 C ATOM 875 O ASN A 59 19.218 13.162 4.417 1.00 1.76 O ATOM 876 CB ASN A 59 18.143 13.657 6.879 1.00 0.76 C ATOM 877 CG ASN A 59 17.167 12.574 6.460 1.00 0.95 C ATOM 878 OD1 ASN A 59 17.673 11.545 5.791 1.00 1.75 O flip ATOM 879 ND2 ASN A 59 15.972 12.659 6.741 1.00 0.92 N flip ATOM 0 H ASN A 59 16.451 15.292 4.866 1.00 0.75 H new ATOM 0 HA ASN A 59 18.956 15.535 6.211 1.00 0.73 H new ATOM 0 HB2 ASN A 59 19.132 13.218 7.009 1.00 0.76 H new ATOM 0 HB3 ASN A 59 17.842 14.057 7.847 1.00 0.76 H new ATOM 0 HD21 ASN A 59 15.626 13.468 7.257 1.00 0.92 H new ATOM 0 HD22 ASN A 59 15.328 11.921 6.458 1.00 0.92 H new ATOM 886 N ASN A 60 18.503 15.075 3.463 1.00 0.57 N ATOM 887 CA ASN A 60 18.895 14.683 2.110 1.00 0.52 C ATOM 888 C ASN A 60 18.131 13.436 1.677 1.00 0.42 C ATOM 889 O ASN A 60 18.425 12.833 0.645 1.00 0.53 O ATOM 890 CB ASN A 60 20.411 14.432 2.042 1.00 0.58 C ATOM 891 CG ASN A 60 20.873 13.968 0.670 1.00 0.93 C ATOM 892 OD1 ASN A 60 21.117 14.782 -0.221 1.00 1.99 O ATOM 893 ND2 ASN A 60 21.011 12.654 0.496 1.00 0.55 N ATOM 0 H ASN A 60 18.079 16.000 3.526 1.00 0.57 H new ATOM 0 HA ASN A 60 18.648 15.497 1.428 1.00 0.52 H new ATOM 0 HB2 ASN A 60 20.938 15.349 2.306 1.00 0.58 H new ATOM 0 HB3 ASN A 60 20.684 13.682 2.784 1.00 0.58 H new ATOM 0 HD21 ASN A 60 21.330 12.289 -0.402 1.00 0.55 H new ATOM 0 HD22 ASN A 60 20.798 12.013 1.260 1.00 0.55 H new ATOM 900 N GLY A 61 17.127 13.069 2.467 1.00 0.37 N ATOM 901 CA GLY A 61 16.348 11.888 2.166 1.00 0.33 C ATOM 902 C GLY A 61 17.200 10.640 2.213 1.00 0.27 C ATOM 903 O GLY A 61 17.612 10.130 1.179 1.00 0.33 O ATOM 0 H GLY A 61 16.841 13.569 3.309 1.00 0.37 H new ATOM 0 HA2 GLY A 61 15.529 11.799 2.880 1.00 0.33 H new ATOM 0 HA3 GLY A 61 15.900 11.988 1.177 1.00 0.33 H new ATOM 907 N GLN A 62 17.469 10.155 3.419 1.00 0.29 N ATOM 908 CA GLN A 62 18.300 8.969 3.605 1.00 0.25 C ATOM 909 C GLN A 62 17.560 7.904 4.420 1.00 0.29 C ATOM 910 O GLN A 62 16.665 8.221 5.203 1.00 0.42 O ATOM 911 CB GLN A 62 19.605 9.358 4.315 1.00 0.30 C ATOM 912 CG GLN A 62 20.557 10.184 3.465 1.00 0.31 C ATOM 913 CD GLN A 62 21.419 9.324 2.562 1.00 0.32 C ATOM 914 OE1 GLN A 62 20.981 9.149 1.325 1.00 0.38 O flip ATOM 915 NE2 GLN A 62 22.472 8.837 2.969 1.00 0.54 N flip ATOM 0 H GLN A 62 17.123 10.565 4.286 1.00 0.29 H new ATOM 0 HA GLN A 62 18.529 8.550 2.625 1.00 0.25 H new ATOM 0 HB2 GLN A 62 19.361 9.920 5.217 1.00 0.30 H new ATOM 0 HB3 GLN A 62 20.116 8.450 4.634 1.00 0.30 H new ATOM 0 HG2 GLN A 62 19.983 10.883 2.857 1.00 0.31 H new ATOM 0 HG3 GLN A 62 21.198 10.779 4.116 1.00 0.31 H new ATOM 0 HE21 GLN A 62 22.770 8.998 3.931 1.00 0.54 H new ATOM 0 HE22 GLN A 62 23.047 8.272 2.345 1.00 0.54 H new ATOM 924 N LEU A 63 17.942 6.642 4.228 1.00 0.28 N ATOM 925 CA LEU A 63 17.320 5.531 4.950 1.00 0.37 C ATOM 926 C LEU A 63 18.357 4.517 5.409 1.00 0.27 C ATOM 927 O LEU A 63 19.432 4.403 4.825 1.00 0.23 O ATOM 928 CB LEU A 63 16.274 4.825 4.103 1.00 0.57 C ATOM 929 CG LEU A 63 16.594 4.733 2.624 1.00 0.90 C ATOM 930 CD1 LEU A 63 16.451 3.299 2.143 1.00 1.58 C ATOM 931 CD2 LEU A 63 15.674 5.657 1.865 1.00 1.61 C ATOM 0 H LEU A 63 18.678 6.363 3.580 1.00 0.28 H new ATOM 0 HA LEU A 63 16.832 5.965 5.823 1.00 0.37 H new ATOM 0 HB2 LEU A 63 16.136 3.816 4.492 1.00 0.57 H new ATOM 0 HB3 LEU A 63 15.323 5.345 4.221 1.00 0.57 H new ATOM 0 HG LEU A 63 17.626 5.038 2.448 1.00 0.90 H new ATOM 0 HD11 LEU A 63 16.684 3.247 1.079 1.00 1.58 H new ATOM 0 HD12 LEU A 63 17.138 2.659 2.696 1.00 1.58 H new ATOM 0 HD13 LEU A 63 15.428 2.960 2.308 1.00 1.58 H new ATOM 0 HD21 LEU A 63 15.897 5.598 0.800 1.00 1.61 H new ATOM 0 HD22 LEU A 63 14.639 5.361 2.036 1.00 1.61 H new ATOM 0 HD23 LEU A 63 15.821 6.681 2.210 1.00 1.61 H new ATOM 943 N ASN A 64 17.999 3.749 6.431 1.00 0.31 N ATOM 944 CA ASN A 64 18.889 2.743 6.994 1.00 0.28 C ATOM 945 C ASN A 64 18.390 1.344 6.666 1.00 0.25 C ATOM 946 O ASN A 64 17.224 1.169 6.322 1.00 0.27 O ATOM 947 CB ASN A 64 18.973 2.880 8.515 1.00 0.41 C ATOM 948 CG ASN A 64 18.717 4.290 9.002 1.00 0.53 C ATOM 949 OD1 ASN A 64 19.639 5.089 9.149 1.00 1.34 O ATOM 950 ND2 ASN A 64 17.452 4.597 9.266 1.00 0.95 N ATOM 0 H ASN A 64 17.090 3.806 6.890 1.00 0.31 H new ATOM 0 HA ASN A 64 19.875 2.898 6.557 1.00 0.28 H new ATOM 0 HB2 ASN A 64 18.249 2.207 8.974 1.00 0.41 H new ATOM 0 HB3 ASN A 64 19.961 2.561 8.848 1.00 0.41 H new ATOM 0 HD21 ASN A 64 17.214 5.529 9.606 1.00 0.95 H new ATOM 0 HD22 ASN A 64 16.719 3.901 9.129 1.00 0.95 H new ATOM 957 N PHE A 65 19.285 0.366 6.723 1.00 0.25 N ATOM 958 CA PHE A 65 18.927 -1.022 6.439 1.00 0.26 C ATOM 959 C PHE A 65 17.555 -1.366 7.021 1.00 0.27 C ATOM 960 O PHE A 65 16.791 -2.119 6.421 1.00 0.31 O ATOM 961 CB PHE A 65 19.994 -1.957 7.013 1.00 0.32 C ATOM 962 CG PHE A 65 19.716 -3.416 6.787 1.00 0.30 C ATOM 963 CD1 PHE A 65 20.118 -4.037 5.614 1.00 0.36 C ATOM 964 CD2 PHE A 65 19.063 -4.169 7.750 1.00 0.39 C ATOM 965 CE1 PHE A 65 19.871 -5.380 5.408 1.00 0.44 C ATOM 966 CE2 PHE A 65 18.815 -5.513 7.549 1.00 0.45 C ATOM 967 CZ PHE A 65 19.220 -6.118 6.377 1.00 0.45 C ATOM 0 H PHE A 65 20.266 0.506 6.964 1.00 0.25 H new ATOM 0 HA PHE A 65 18.876 -1.152 5.358 1.00 0.26 H new ATOM 0 HB2 PHE A 65 20.957 -1.708 6.568 1.00 0.32 H new ATOM 0 HB3 PHE A 65 20.082 -1.776 8.084 1.00 0.32 H new ATOM 0 HD1 PHE A 65 20.629 -3.465 4.854 1.00 0.36 H new ATOM 0 HD2 PHE A 65 18.744 -3.699 8.669 1.00 0.39 H new ATOM 0 HE1 PHE A 65 20.187 -5.853 4.490 1.00 0.44 H new ATOM 0 HE2 PHE A 65 18.305 -6.089 8.307 1.00 0.45 H new ATOM 0 HZ PHE A 65 19.028 -7.169 6.217 1.00 0.45 H new ATOM 977 N THR A 66 17.243 -0.800 8.187 1.00 0.28 N ATOM 978 CA THR A 66 15.960 -1.044 8.841 1.00 0.32 C ATOM 979 C THR A 66 14.807 -0.477 8.024 1.00 0.31 C ATOM 980 O THR A 66 13.747 -1.087 7.925 1.00 0.33 O ATOM 981 CB THR A 66 15.898 -0.412 10.238 1.00 0.38 C ATOM 982 OG1 THR A 66 17.194 0.052 10.633 1.00 0.56 O ATOM 983 CG2 THR A 66 15.374 -1.407 11.258 1.00 0.52 C ATOM 0 H THR A 66 17.862 -0.170 8.697 1.00 0.28 H new ATOM 0 HA THR A 66 15.868 -2.127 8.925 1.00 0.32 H new ATOM 0 HB THR A 66 15.214 0.435 10.195 1.00 0.38 H new ATOM 0 HG1 THR A 66 17.140 0.454 11.525 1.00 0.56 H new ATOM 0 HG21 THR A 66 15.339 -0.936 12.241 1.00 0.52 H new ATOM 0 HG22 THR A 66 14.372 -1.727 10.973 1.00 0.52 H new ATOM 0 HG23 THR A 66 16.035 -2.273 11.294 1.00 0.52 H new ATOM 991 N GLU A 67 15.012 0.712 7.473 1.00 0.30 N ATOM 992 CA GLU A 67 13.992 1.366 6.663 1.00 0.33 C ATOM 993 C GLU A 67 13.601 0.500 5.471 1.00 0.30 C ATOM 994 O GLU A 67 12.424 0.177 5.285 1.00 0.33 O ATOM 995 CB GLU A 67 14.490 2.727 6.177 1.00 0.36 C ATOM 996 CG GLU A 67 14.754 3.716 7.301 1.00 0.42 C ATOM 997 CD GLU A 67 13.522 3.987 8.142 1.00 0.93 C ATOM 998 OE1 GLU A 67 12.741 4.891 7.775 1.00 1.22 O ATOM 999 OE2 GLU A 67 13.336 3.296 9.166 1.00 1.70 O ATOM 0 H GLU A 67 15.876 1.244 7.572 1.00 0.30 H new ATOM 0 HA GLU A 67 13.110 1.511 7.287 1.00 0.33 H new ATOM 0 HB2 GLU A 67 15.408 2.586 5.606 1.00 0.36 H new ATOM 0 HB3 GLU A 67 13.753 3.152 5.496 1.00 0.36 H new ATOM 0 HG2 GLU A 67 15.548 3.330 7.940 1.00 0.42 H new ATOM 0 HG3 GLU A 67 15.114 4.654 6.878 1.00 0.42 H new ATOM 1006 N PHE A 68 14.591 0.113 4.671 1.00 0.27 N ATOM 1007 CA PHE A 68 14.329 -0.704 3.495 1.00 0.26 C ATOM 1008 C PHE A 68 13.875 -2.105 3.883 1.00 0.27 C ATOM 1009 O PHE A 68 12.780 -2.526 3.512 1.00 0.31 O ATOM 1010 CB PHE A 68 15.576 -0.797 2.609 1.00 0.26 C ATOM 1011 CG PHE A 68 15.365 -1.592 1.346 1.00 0.27 C ATOM 1012 CD1 PHE A 68 14.125 -1.619 0.723 1.00 0.38 C ATOM 1013 CD2 PHE A 68 16.407 -2.316 0.781 1.00 0.35 C ATOM 1014 CE1 PHE A 68 13.931 -2.352 -0.432 1.00 0.44 C ATOM 1015 CE2 PHE A 68 16.216 -3.049 -0.372 1.00 0.37 C ATOM 1016 CZ PHE A 68 14.974 -3.050 -0.989 1.00 0.37 C ATOM 0 H PHE A 68 15.572 0.350 4.815 1.00 0.27 H new ATOM 0 HA PHE A 68 13.527 -0.221 2.937 1.00 0.26 H new ATOM 0 HB2 PHE A 68 15.898 0.210 2.344 1.00 0.26 H new ATOM 0 HB3 PHE A 68 16.385 -1.250 3.182 1.00 0.26 H new ATOM 0 HD1 PHE A 68 13.303 -1.061 1.146 1.00 0.38 H new ATOM 0 HD2 PHE A 68 17.380 -2.305 1.250 1.00 0.35 H new ATOM 0 HE1 PHE A 68 12.957 -2.376 -0.898 1.00 0.44 H new ATOM 0 HE2 PHE A 68 17.031 -3.620 -0.793 1.00 0.37 H new ATOM 0 HZ PHE A 68 14.827 -3.599 -1.907 1.00 0.37 H new ATOM 1026 N CYS A 69 14.701 -2.811 4.653 1.00 0.26 N ATOM 1027 CA CYS A 69 14.369 -4.168 5.074 1.00 0.28 C ATOM 1028 C CYS A 69 13.008 -4.189 5.749 1.00 0.29 C ATOM 1029 O CYS A 69 12.272 -5.170 5.657 1.00 0.34 O ATOM 1030 CB CYS A 69 15.425 -4.717 6.032 1.00 0.27 C ATOM 1031 SG CYS A 69 15.677 -6.501 5.912 1.00 0.49 S ATOM 0 H CYS A 69 15.598 -2.468 4.995 1.00 0.26 H new ATOM 0 HA CYS A 69 14.343 -4.800 4.186 1.00 0.28 H new ATOM 0 HB2 CYS A 69 16.372 -4.214 5.838 1.00 0.27 H new ATOM 0 HB3 CYS A 69 15.136 -4.470 7.054 1.00 0.27 H new ATOM 0 HG CYS A 69 16.242 -6.784 4.776 1.00 0.49 H new ATOM 1037 N GLY A 70 12.691 -3.099 6.437 1.00 0.31 N ATOM 1038 CA GLY A 70 11.415 -2.989 7.107 1.00 0.34 C ATOM 1039 C GLY A 70 10.278 -3.170 6.125 1.00 0.35 C ATOM 1040 O GLY A 70 9.410 -4.032 6.297 1.00 0.35 O ATOM 0 H GLY A 70 13.300 -2.287 6.541 1.00 0.31 H new ATOM 0 HA2 GLY A 70 11.346 -3.740 7.894 1.00 0.34 H new ATOM 0 HA3 GLY A 70 11.334 -2.015 7.589 1.00 0.34 H new ATOM 1044 N ILE A 71 10.299 -2.354 5.077 1.00 0.38 N ATOM 1045 CA ILE A 71 9.286 -2.421 4.040 1.00 0.41 C ATOM 1046 C ILE A 71 9.348 -3.755 3.315 1.00 0.41 C ATOM 1047 O ILE A 71 8.342 -4.242 2.801 1.00 0.45 O ATOM 1048 CB ILE A 71 9.457 -1.296 3.005 1.00 0.43 C ATOM 1049 CG1 ILE A 71 9.288 0.070 3.672 1.00 0.46 C ATOM 1050 CG2 ILE A 71 8.461 -1.482 1.868 1.00 0.47 C ATOM 1051 CD1 ILE A 71 9.626 1.236 2.767 1.00 0.49 C ATOM 0 H ILE A 71 11.010 -1.638 4.926 1.00 0.38 H new ATOM 0 HA ILE A 71 8.321 -2.307 4.534 1.00 0.41 H new ATOM 0 HB ILE A 71 10.463 -1.342 2.589 1.00 0.43 H new ATOM 0 HG12 ILE A 71 8.258 0.173 4.013 1.00 0.46 H new ATOM 0 HG13 ILE A 71 9.922 0.113 4.557 1.00 0.46 H new ATOM 0 HG21 ILE A 71 8.588 -0.682 1.139 1.00 0.47 H new ATOM 0 HG22 ILE A 71 8.635 -2.444 1.385 1.00 0.47 H new ATOM 0 HG23 ILE A 71 7.446 -1.454 2.265 1.00 0.47 H new ATOM 0 HD11 ILE A 71 9.482 2.171 3.309 1.00 0.49 H new ATOM 0 HD12 ILE A 71 10.665 1.158 2.446 1.00 0.49 H new ATOM 0 HD13 ILE A 71 8.974 1.219 1.893 1.00 0.49 H new ATOM 1063 N MET A 72 10.535 -4.348 3.285 1.00 0.39 N ATOM 1064 CA MET A 72 10.713 -5.620 2.613 1.00 0.41 C ATOM 1065 C MET A 72 10.001 -6.700 3.398 1.00 0.42 C ATOM 1066 O MET A 72 9.424 -7.619 2.833 1.00 0.50 O ATOM 1067 CB MET A 72 12.194 -5.967 2.469 1.00 0.41 C ATOM 1068 CG MET A 72 12.995 -4.932 1.698 1.00 0.45 C ATOM 1069 SD MET A 72 14.604 -5.552 1.182 1.00 0.78 S ATOM 1070 CE MET A 72 14.114 -6.736 -0.067 1.00 0.36 C ATOM 0 H MET A 72 11.379 -3.969 3.715 1.00 0.39 H new ATOM 0 HA MET A 72 10.289 -5.549 1.611 1.00 0.41 H new ATOM 0 HB2 MET A 72 12.628 -6.083 3.462 1.00 0.41 H new ATOM 0 HB3 MET A 72 12.285 -6.930 1.967 1.00 0.41 H new ATOM 0 HG2 MET A 72 12.430 -4.621 0.819 1.00 0.45 H new ATOM 0 HG3 MET A 72 13.132 -4.047 2.319 1.00 0.45 H new ATOM 0 HE1 MET A 72 14.566 -7.704 0.152 1.00 0.36 H new ATOM 0 HE2 MET A 72 13.028 -6.835 -0.069 1.00 0.36 H new ATOM 0 HE3 MET A 72 14.449 -6.392 -1.046 1.00 0.36 H new ATOM 1080 N ALA A 73 10.053 -6.573 4.712 1.00 0.41 N ATOM 1081 CA ALA A 73 9.395 -7.514 5.595 1.00 0.44 C ATOM 1082 C ALA A 73 7.902 -7.537 5.296 1.00 0.45 C ATOM 1083 O ALA A 73 7.283 -8.601 5.224 1.00 0.51 O ATOM 1084 CB ALA A 73 9.653 -7.117 7.036 1.00 0.46 C ATOM 0 H ALA A 73 10.548 -5.821 5.192 1.00 0.41 H new ATOM 0 HA ALA A 73 9.793 -8.516 5.434 1.00 0.44 H new ATOM 0 HB1 ALA A 73 9.159 -7.824 7.702 1.00 0.46 H new ATOM 0 HB2 ALA A 73 10.726 -7.126 7.229 1.00 0.46 H new ATOM 0 HB3 ALA A 73 9.260 -6.116 7.213 1.00 0.46 H new ATOM 1090 N LYS A 74 7.337 -6.347 5.111 1.00 0.42 N ATOM 1091 CA LYS A 74 5.915 -6.211 4.807 1.00 0.46 C ATOM 1092 C LYS A 74 5.594 -6.777 3.428 1.00 0.47 C ATOM 1093 O LYS A 74 4.725 -7.637 3.287 1.00 0.57 O ATOM 1094 CB LYS A 74 5.501 -4.739 4.856 1.00 0.50 C ATOM 1095 CG LYS A 74 6.236 -3.935 5.906 1.00 1.17 C ATOM 1096 CD LYS A 74 5.590 -2.580 6.120 1.00 1.08 C ATOM 1097 CE LYS A 74 6.114 -1.903 7.376 1.00 1.83 C ATOM 1098 NZ LYS A 74 5.830 -2.705 8.598 1.00 2.52 N ATOM 0 H LYS A 74 7.842 -5.463 5.166 1.00 0.42 H new ATOM 0 HA LYS A 74 5.359 -6.773 5.557 1.00 0.46 H new ATOM 0 HB2 LYS A 74 5.675 -4.289 3.879 1.00 0.50 H new ATOM 0 HB3 LYS A 74 4.430 -4.678 5.048 1.00 0.50 H new ATOM 0 HG2 LYS A 74 6.248 -4.486 6.846 1.00 1.17 H new ATOM 0 HG3 LYS A 74 7.274 -3.801 5.602 1.00 1.17 H new ATOM 0 HD2 LYS A 74 5.782 -1.944 5.256 1.00 1.08 H new ATOM 0 HD3 LYS A 74 4.509 -2.699 6.194 1.00 1.08 H new ATOM 0 HE2 LYS A 74 7.189 -1.749 7.284 1.00 1.83 H new ATOM 0 HE3 LYS A 74 5.659 -0.918 7.474 1.00 1.83 H new ATOM 0 HZ1 LYS A 74 5.833 -2.082 9.431 1.00 2.52 H new ATOM 0 HZ2 LYS A 74 4.898 -3.157 8.508 1.00 2.52 H new ATOM 0 HZ3 LYS A 74 6.560 -3.437 8.710 1.00 2.52 H new ATOM 1112 N GLN A 75 6.299 -6.278 2.418 1.00 0.45 N ATOM 1113 CA GLN A 75 6.094 -6.718 1.037 1.00 0.50 C ATOM 1114 C GLN A 75 6.268 -8.230 0.881 1.00 0.52 C ATOM 1115 O GLN A 75 5.439 -8.894 0.258 1.00 0.67 O ATOM 1116 CB GLN A 75 7.049 -5.974 0.102 1.00 0.50 C ATOM 1117 CG GLN A 75 6.628 -4.538 -0.166 1.00 0.76 C ATOM 1118 CD GLN A 75 7.667 -3.747 -0.942 1.00 0.66 C ATOM 1119 OE1 GLN A 75 8.444 -4.432 -1.771 1.00 1.60 O flip ATOM 1120 NE2 GLN A 75 7.766 -2.529 -0.800 1.00 0.86 N flip ATOM 0 H GLN A 75 7.021 -5.566 2.528 1.00 0.45 H new ATOM 0 HA GLN A 75 5.065 -6.482 0.767 1.00 0.50 H new ATOM 0 HB2 GLN A 75 8.049 -5.978 0.537 1.00 0.50 H new ATOM 0 HB3 GLN A 75 7.111 -6.510 -0.845 1.00 0.50 H new ATOM 0 HG2 GLN A 75 5.691 -4.538 -0.722 1.00 0.76 H new ATOM 0 HG3 GLN A 75 6.435 -4.039 0.784 1.00 0.76 H new ATOM 0 HE21 GLN A 75 7.149 -2.039 -0.152 1.00 0.86 H new ATOM 0 HE22 GLN A 75 8.465 -2.009 -1.330 1.00 0.86 H new ATOM 1129 N MET A 76 7.348 -8.769 1.438 1.00 0.55 N ATOM 1130 CA MET A 76 7.623 -10.198 1.360 1.00 0.66 C ATOM 1131 C MET A 76 6.435 -11.023 1.851 1.00 0.71 C ATOM 1132 O MET A 76 5.966 -11.926 1.158 1.00 0.83 O ATOM 1133 CB MET A 76 8.865 -10.537 2.179 1.00 0.87 C ATOM 1134 CG MET A 76 10.151 -10.083 1.516 1.00 1.02 C ATOM 1135 SD MET A 76 11.614 -10.476 2.488 1.00 1.03 S ATOM 1136 CE MET A 76 12.892 -9.993 1.336 1.00 0.64 C ATOM 0 H MET A 76 8.049 -8.234 1.950 1.00 0.55 H new ATOM 0 HA MET A 76 7.798 -10.448 0.314 1.00 0.66 H new ATOM 0 HB2 MET A 76 8.785 -10.071 3.161 1.00 0.87 H new ATOM 0 HB3 MET A 76 8.905 -11.614 2.339 1.00 0.87 H new ATOM 0 HG2 MET A 76 10.235 -10.553 0.536 1.00 1.02 H new ATOM 0 HG3 MET A 76 10.109 -9.006 1.351 1.00 1.02 H new ATOM 0 HE1 MET A 76 13.599 -10.814 1.211 1.00 0.64 H new ATOM 0 HE2 MET A 76 12.442 -9.752 0.373 1.00 0.64 H new ATOM 0 HE3 MET A 76 13.416 -9.118 1.720 1.00 0.64 H new ATOM 1240 N GLU A 83 -2.305 -10.385 -7.639 1.00 7.37 N ATOM 1241 CA GLU A 83 -2.848 -11.564 -8.306 1.00 8.31 C ATOM 1242 C GLU A 83 -4.238 -11.907 -7.779 1.00 8.90 C ATOM 1243 O GLU A 83 -5.036 -12.538 -8.473 1.00 9.79 O ATOM 1244 CB GLU A 83 -1.911 -12.758 -8.116 1.00 8.42 C ATOM 1245 CG GLU A 83 -0.528 -12.545 -8.709 1.00 8.14 C ATOM 1246 CD GLU A 83 0.373 -13.752 -8.533 1.00 8.51 C ATOM 1247 OE1 GLU A 83 0.298 -14.676 -9.369 1.00 9.06 O ATOM 1248 OE2 GLU A 83 1.156 -13.772 -7.560 1.00 8.45 O ATOM 0 HA GLU A 83 -2.932 -11.337 -9.369 1.00 8.31 H new ATOM 0 HB2 GLU A 83 -1.812 -12.966 -7.051 1.00 8.42 H new ATOM 0 HB3 GLU A 83 -2.361 -13.639 -8.573 1.00 8.42 H new ATOM 0 HG2 GLU A 83 -0.623 -12.319 -9.771 1.00 8.14 H new ATOM 0 HG3 GLU A 83 -0.064 -11.678 -8.238 1.00 8.14 H new ATOM 1255 N GLU A 84 -4.526 -11.488 -6.550 1.00 8.58 N ATOM 1256 CA GLU A 84 -5.820 -11.759 -5.935 1.00 9.37 C ATOM 1257 C GLU A 84 -6.925 -10.935 -6.588 1.00 9.77 C ATOM 1258 O GLU A 84 -7.952 -11.475 -7.004 1.00 10.65 O ATOM 1259 CB GLU A 84 -5.767 -11.467 -4.434 1.00 9.24 C ATOM 1260 CG GLU A 84 -4.783 -12.344 -3.676 1.00 9.88 C ATOM 1261 CD GLU A 84 -5.103 -13.821 -3.799 1.00 10.30 C ATOM 1262 OE1 GLU A 84 -4.608 -14.459 -4.753 1.00 10.72 O ATOM 1263 OE2 GLU A 84 -5.847 -14.341 -2.942 1.00 10.41 O ATOM 0 H GLU A 84 -3.881 -10.960 -5.962 1.00 8.58 H new ATOM 0 HA GLU A 84 -6.047 -12.814 -6.086 1.00 9.37 H new ATOM 0 HB2 GLU A 84 -5.498 -10.421 -4.285 1.00 9.24 H new ATOM 0 HB3 GLU A 84 -6.762 -11.603 -4.011 1.00 9.24 H new ATOM 0 HG2 GLU A 84 -3.776 -12.162 -4.051 1.00 9.88 H new ATOM 0 HG3 GLU A 84 -4.787 -12.062 -2.623 1.00 9.88 H new ATOM 1270 N MET A 85 -6.709 -9.625 -6.682 1.00 9.28 N ATOM 1271 CA MET A 85 -7.697 -8.736 -7.281 1.00 9.90 C ATOM 1272 C MET A 85 -7.815 -8.994 -8.777 1.00 10.59 C ATOM 1273 O MET A 85 -8.911 -8.957 -9.337 1.00 11.45 O ATOM 1274 CB MET A 85 -7.338 -7.272 -7.025 1.00 9.48 C ATOM 1275 CG MET A 85 -7.141 -6.945 -5.555 1.00 8.93 C ATOM 1276 SD MET A 85 -7.645 -5.264 -5.138 1.00 8.96 S ATOM 1277 CE MET A 85 -6.752 -4.317 -6.367 1.00 9.60 C ATOM 0 H MET A 85 -5.863 -9.159 -6.353 1.00 9.28 H new ATOM 0 HA MET A 85 -8.660 -8.942 -6.815 1.00 9.90 H new ATOM 0 HB2 MET A 85 -6.425 -7.030 -7.569 1.00 9.48 H new ATOM 0 HB3 MET A 85 -8.127 -6.637 -7.428 1.00 9.48 H new ATOM 0 HG2 MET A 85 -7.712 -7.651 -4.951 1.00 8.93 H new ATOM 0 HG3 MET A 85 -6.091 -7.079 -5.295 1.00 8.93 H new ATOM 0 HE1 MET A 85 -6.241 -3.484 -5.884 1.00 9.60 H new ATOM 0 HE2 MET A 85 -6.019 -4.957 -6.857 1.00 9.60 H new ATOM 0 HE3 MET A 85 -7.452 -3.932 -7.109 1.00 9.60 H new ATOM 1287 N ARG A 86 -6.681 -9.255 -9.422 1.00 10.35 N ATOM 1288 CA ARG A 86 -6.671 -9.531 -10.851 1.00 11.19 C ATOM 1289 C ARG A 86 -7.524 -10.756 -11.145 1.00 11.96 C ATOM 1290 O ARG A 86 -8.224 -10.816 -12.156 1.00 12.88 O ATOM 1291 CB ARG A 86 -5.241 -9.752 -11.349 1.00 10.99 C ATOM 1292 CG ARG A 86 -5.080 -9.545 -12.847 1.00 11.99 C ATOM 1293 CD ARG A 86 -3.701 -9.972 -13.324 1.00 12.13 C ATOM 1294 NE ARG A 86 -3.505 -9.710 -14.748 1.00 12.84 N ATOM 1295 CZ ARG A 86 -2.421 -10.080 -15.424 1.00 13.32 C ATOM 1296 NH1 ARG A 86 -1.447 -10.742 -14.813 1.00 13.18 N ATOM 1297 NH2 ARG A 86 -2.311 -9.792 -16.714 1.00 14.09 N ATOM 0 H ARG A 86 -5.763 -9.281 -8.978 1.00 10.35 H new ATOM 0 HA ARG A 86 -7.086 -8.671 -11.375 1.00 11.19 H new ATOM 0 HB2 ARG A 86 -4.572 -9.071 -10.822 1.00 10.99 H new ATOM 0 HB3 ARG A 86 -4.929 -10.765 -11.095 1.00 10.99 H new ATOM 0 HG2 ARG A 86 -5.842 -10.115 -13.378 1.00 11.99 H new ATOM 0 HG3 ARG A 86 -5.241 -8.495 -13.089 1.00 11.99 H new ATOM 0 HD2 ARG A 86 -2.940 -9.443 -12.751 1.00 12.13 H new ATOM 0 HD3 ARG A 86 -3.564 -11.036 -13.130 1.00 12.13 H new ATOM 0 HE ARG A 86 -4.241 -9.215 -15.252 1.00 12.84 H new ATOM 0 HH11 ARG A 86 -1.528 -10.969 -13.822 1.00 13.18 H new ATOM 0 HH12 ARG A 86 -0.617 -11.024 -15.334 1.00 13.18 H new ATOM 0 HH21 ARG A 86 -3.058 -9.286 -17.189 1.00 14.09 H new ATOM 0 HH22 ARG A 86 -1.479 -10.076 -17.231 1.00 14.09 H new ATOM 1311 N GLU A 87 -7.462 -11.734 -10.245 1.00 11.71 N ATOM 1312 CA GLU A 87 -8.241 -12.955 -10.389 1.00 12.58 C ATOM 1313 C GLU A 87 -9.727 -12.623 -10.385 1.00 13.20 C ATOM 1314 O GLU A 87 -10.481 -13.092 -11.236 1.00 14.14 O ATOM 1315 CB GLU A 87 -7.916 -13.933 -9.257 1.00 12.36 C ATOM 1316 CG GLU A 87 -8.753 -15.202 -9.284 1.00 12.89 C ATOM 1317 CD GLU A 87 -8.576 -15.991 -10.566 1.00 13.23 C ATOM 1318 OE1 GLU A 87 -7.608 -16.776 -10.650 1.00 13.40 O ATOM 1319 OE2 GLU A 87 -9.406 -15.825 -11.485 1.00 13.47 O ATOM 0 H GLU A 87 -6.879 -11.702 -9.409 1.00 11.71 H new ATOM 0 HA GLU A 87 -7.983 -13.426 -11.337 1.00 12.58 H new ATOM 0 HB2 GLU A 87 -6.862 -14.203 -9.314 1.00 12.36 H new ATOM 0 HB3 GLU A 87 -8.065 -13.431 -8.301 1.00 12.36 H new ATOM 0 HG2 GLU A 87 -8.482 -15.830 -8.435 1.00 12.89 H new ATOM 0 HG3 GLU A 87 -9.805 -14.942 -9.164 1.00 12.89 H new ATOM 1326 N ALA A 88 -10.139 -11.805 -9.417 1.00 12.78 N ATOM 1327 CA ALA A 88 -11.532 -11.395 -9.307 1.00 13.49 C ATOM 1328 C ALA A 88 -11.979 -10.679 -10.577 1.00 14.13 C ATOM 1329 O ALA A 88 -13.135 -10.784 -10.988 1.00 15.06 O ATOM 1330 CB ALA A 88 -11.728 -10.499 -8.094 1.00 13.06 C ATOM 0 H ALA A 88 -9.526 -11.416 -8.700 1.00 12.78 H new ATOM 0 HA ALA A 88 -12.145 -12.287 -9.180 1.00 13.49 H new ATOM 0 HB1 ALA A 88 -12.774 -10.202 -8.027 1.00 13.06 H new ATOM 0 HB2 ALA A 88 -11.446 -11.041 -7.192 1.00 13.06 H new ATOM 0 HB3 ALA A 88 -11.104 -9.611 -8.193 1.00 13.06 H new ATOM 1336 N PHE A 89 -11.050 -9.952 -11.194 1.00 13.73 N ATOM 1337 CA PHE A 89 -11.337 -9.228 -12.426 1.00 14.46 C ATOM 1338 C PHE A 89 -11.675 -10.206 -13.545 1.00 15.32 C ATOM 1339 O PHE A 89 -12.525 -9.932 -14.392 1.00 16.24 O ATOM 1340 CB PHE A 89 -10.134 -8.359 -12.816 1.00 14.00 C ATOM 1341 CG PHE A 89 -10.077 -8.008 -14.276 1.00 14.89 C ATOM 1342 CD1 PHE A 89 -10.871 -6.993 -14.784 1.00 15.30 C ATOM 1343 CD2 PHE A 89 -9.231 -8.688 -15.138 1.00 15.46 C ATOM 1344 CE1 PHE A 89 -10.824 -6.662 -16.124 1.00 16.22 C ATOM 1345 CE2 PHE A 89 -9.181 -8.362 -16.480 1.00 16.38 C ATOM 1346 CZ PHE A 89 -9.962 -7.371 -16.978 1.00 16.75 C ATOM 0 H PHE A 89 -10.092 -9.850 -10.859 1.00 13.73 H new ATOM 0 HA PHE A 89 -12.198 -8.579 -12.264 1.00 14.46 H new ATOM 0 HB2 PHE A 89 -10.160 -7.438 -12.233 1.00 14.00 H new ATOM 0 HB3 PHE A 89 -9.218 -8.883 -12.543 1.00 14.00 H new ATOM 0 HD1 PHE A 89 -11.535 -6.454 -14.124 1.00 15.30 H new ATOM 0 HD2 PHE A 89 -8.604 -9.481 -14.757 1.00 15.46 H new ATOM 0 HE1 PHE A 89 -11.443 -5.867 -16.512 1.00 16.22 H new ATOM 0 HE2 PHE A 89 -8.515 -8.901 -17.138 1.00 16.38 H new ATOM 0 HZ PHE A 89 -9.921 -7.127 -18.029 1.00 16.75 H new ATOM 1356 N LYS A 90 -10.999 -11.352 -13.539 1.00 15.11 N ATOM 1357 CA LYS A 90 -11.226 -12.381 -14.548 1.00 16.01 C ATOM 1358 C LYS A 90 -12.573 -13.061 -14.333 1.00 16.75 C ATOM 1359 O LYS A 90 -13.292 -13.350 -15.289 1.00 17.70 O ATOM 1360 CB LYS A 90 -10.109 -13.426 -14.510 1.00 15.74 C ATOM 1361 CG LYS A 90 -8.712 -12.832 -14.596 1.00 15.19 C ATOM 1362 CD LYS A 90 -7.672 -13.891 -14.929 1.00 15.14 C ATOM 1363 CE LYS A 90 -7.546 -14.927 -13.822 1.00 14.45 C ATOM 1364 NZ LYS A 90 -6.515 -15.953 -14.139 1.00 14.90 N ATOM 0 H LYS A 90 -10.290 -11.591 -12.846 1.00 15.11 H new ATOM 0 HA LYS A 90 -11.228 -11.898 -15.525 1.00 16.01 H new ATOM 0 HB2 LYS A 90 -10.193 -14.001 -13.588 1.00 15.74 H new ATOM 0 HB3 LYS A 90 -10.249 -14.124 -15.335 1.00 15.74 H new ATOM 0 HG2 LYS A 90 -8.694 -12.052 -15.357 1.00 15.19 H new ATOM 0 HG3 LYS A 90 -8.459 -12.358 -13.648 1.00 15.19 H new ATOM 0 HD2 LYS A 90 -7.943 -14.386 -15.861 1.00 15.14 H new ATOM 0 HD3 LYS A 90 -6.706 -13.413 -15.091 1.00 15.14 H new ATOM 0 HE2 LYS A 90 -7.288 -14.430 -12.887 1.00 14.45 H new ATOM 0 HE3 LYS A 90 -8.509 -15.415 -13.669 1.00 14.45 H new ATOM 0 HZ1 LYS A 90 -6.459 -16.641 -13.361 1.00 14.90 H new ATOM 0 HZ2 LYS A 90 -6.774 -16.445 -15.018 1.00 14.90 H new ATOM 0 HZ3 LYS A 90 -5.591 -15.491 -14.260 1.00 14.90 H new ATOM 1378 N ILE A 91 -12.908 -13.316 -13.071 1.00 16.40 N ATOM 1379 CA ILE A 91 -14.167 -13.963 -12.726 1.00 17.17 C ATOM 1380 C ILE A 91 -15.359 -13.200 -13.298 1.00 17.84 C ATOM 1381 O ILE A 91 -16.216 -13.780 -13.966 1.00 18.78 O ATOM 1382 CB ILE A 91 -14.327 -14.082 -11.197 1.00 16.77 C ATOM 1383 CG1 ILE A 91 -13.132 -14.831 -10.596 1.00 16.16 C ATOM 1384 CG2 ILE A 91 -15.635 -14.779 -10.846 1.00 17.75 C ATOM 1385 CD1 ILE A 91 -13.044 -16.287 -11.006 1.00 16.20 C ATOM 0 H ILE A 91 -12.322 -13.083 -12.269 1.00 16.40 H new ATOM 0 HA ILE A 91 -14.143 -14.961 -13.164 1.00 17.17 H new ATOM 0 HB ILE A 91 -14.355 -13.079 -10.771 1.00 16.77 H new ATOM 0 HG12 ILE A 91 -12.213 -14.325 -10.893 1.00 16.16 H new ATOM 0 HG13 ILE A 91 -13.190 -14.774 -9.509 1.00 16.16 H new ATOM 0 HG21 ILE A 91 -15.729 -14.853 -9.763 1.00 17.75 H new ATOM 0 HG22 ILE A 91 -16.472 -14.205 -11.244 1.00 17.75 H new ATOM 0 HG23 ILE A 91 -15.642 -15.779 -11.280 1.00 17.75 H new ATOM 0 HD11 ILE A 91 -12.172 -16.745 -10.539 1.00 16.20 H new ATOM 0 HD12 ILE A 91 -13.944 -16.811 -10.685 1.00 16.20 H new ATOM 0 HD13 ILE A 91 -12.952 -16.355 -12.090 1.00 16.20 H new ATOM 1397 N PHE A 92 -15.406 -11.897 -13.036 1.00 17.43 N ATOM 1398 CA PHE A 92 -16.495 -11.058 -13.525 1.00 18.14 C ATOM 1399 C PHE A 92 -16.423 -10.893 -15.043 1.00 18.80 C ATOM 1400 O PHE A 92 -17.379 -10.441 -15.673 1.00 19.63 O ATOM 1401 CB PHE A 92 -16.479 -9.695 -12.829 1.00 17.63 C ATOM 1402 CG PHE A 92 -16.880 -9.770 -11.380 1.00 17.41 C ATOM 1403 CD1 PHE A 92 -18.170 -10.125 -11.021 1.00 17.12 C ATOM 1404 CD2 PHE A 92 -15.967 -9.473 -10.376 1.00 17.64 C ATOM 1405 CE1 PHE A 92 -18.542 -10.186 -9.691 1.00 17.07 C ATOM 1406 CE2 PHE A 92 -16.333 -9.529 -9.046 1.00 17.60 C ATOM 1407 CZ PHE A 92 -17.616 -9.925 -8.702 1.00 17.34 C ATOM 0 H PHE A 92 -14.703 -11.400 -12.488 1.00 17.43 H new ATOM 0 HA PHE A 92 -17.436 -11.554 -13.287 1.00 18.14 H new ATOM 0 HB2 PHE A 92 -15.479 -9.268 -12.902 1.00 17.63 H new ATOM 0 HB3 PHE A 92 -17.154 -9.018 -13.353 1.00 17.63 H new ATOM 0 HD1 PHE A 92 -18.893 -10.357 -11.789 1.00 17.12 H new ATOM 0 HD2 PHE A 92 -14.957 -9.195 -10.639 1.00 17.64 H new ATOM 0 HE1 PHE A 92 -19.558 -10.438 -9.426 1.00 17.07 H new ATOM 0 HE2 PHE A 92 -15.622 -9.265 -8.277 1.00 17.60 H new ATOM 0 HZ PHE A 92 -17.890 -10.029 -7.663 1.00 17.34 H new ATOM 1417 N ASP A 93 -15.283 -11.262 -15.623 1.00 18.51 N ATOM 1418 CA ASP A 93 -15.089 -11.160 -17.067 1.00 19.23 C ATOM 1419 C ASP A 93 -15.369 -12.498 -17.750 1.00 19.92 C ATOM 1420 O ASP A 93 -14.764 -13.516 -17.419 1.00 19.65 O ATOM 1421 CB ASP A 93 -13.661 -10.707 -17.378 1.00 18.69 C ATOM 1422 CG ASP A 93 -13.437 -10.464 -18.859 1.00 19.57 C ATOM 1423 OD1 ASP A 93 -14.414 -10.127 -19.563 1.00 20.02 O ATOM 1424 OD2 ASP A 93 -12.283 -10.604 -19.313 1.00 19.89 O ATOM 0 H ASP A 93 -14.480 -11.634 -15.115 1.00 18.51 H new ATOM 0 HA ASP A 93 -15.791 -10.421 -17.452 1.00 19.23 H new ATOM 0 HB2 ASP A 93 -13.446 -9.792 -16.826 1.00 18.69 H new ATOM 0 HB3 ASP A 93 -12.959 -11.463 -17.027 1.00 18.69 H new ATOM 1429 N ARG A 94 -16.291 -12.483 -18.709 1.00 20.90 N ATOM 1430 CA ARG A 94 -16.661 -13.691 -19.441 1.00 21.70 C ATOM 1431 C ARG A 94 -15.706 -13.953 -20.601 1.00 22.13 C ATOM 1432 O ARG A 94 -15.109 -15.026 -20.694 1.00 22.63 O ATOM 1433 CB ARG A 94 -18.093 -13.565 -19.967 1.00 22.67 C ATOM 1434 CG ARG A 94 -19.167 -14.023 -18.986 1.00 22.53 C ATOM 1435 CD ARG A 94 -18.991 -13.405 -17.606 1.00 22.13 C ATOM 1436 NE ARG A 94 -17.980 -14.105 -16.819 1.00 22.41 N ATOM 1437 CZ ARG A 94 -18.187 -15.279 -16.231 1.00 22.68 C ATOM 1438 NH1 ARG A 94 -19.362 -15.882 -16.344 1.00 22.72 N ATOM 1439 NH2 ARG A 94 -17.220 -15.853 -15.528 1.00 23.01 N ATOM 0 H ARG A 94 -16.797 -11.646 -18.998 1.00 20.90 H new ATOM 0 HA ARG A 94 -16.597 -14.534 -18.753 1.00 21.70 H new ATOM 0 HB2 ARG A 94 -18.280 -12.524 -20.231 1.00 22.67 H new ATOM 0 HB3 ARG A 94 -18.183 -14.148 -20.884 1.00 22.67 H new ATOM 0 HG2 ARG A 94 -20.150 -13.759 -19.377 1.00 22.53 H new ATOM 0 HG3 ARG A 94 -19.139 -15.109 -18.901 1.00 22.53 H new ATOM 0 HD2 ARG A 94 -18.708 -12.358 -17.711 1.00 22.13 H new ATOM 0 HD3 ARG A 94 -19.943 -13.426 -17.075 1.00 22.13 H new ATOM 0 HE ARG A 94 -17.064 -13.669 -16.715 1.00 22.41 H new ATOM 0 HH11 ARG A 94 -20.110 -15.445 -16.883 1.00 22.72 H new ATOM 0 HH12 ARG A 94 -19.518 -16.783 -15.892 1.00 22.72 H new ATOM 0 HH21 ARG A 94 -16.314 -15.394 -15.437 1.00 23.01 H new ATOM 0 HH22 ARG A 94 -17.382 -16.754 -15.078 1.00 23.01 H new ATOM 1453 N ASP A 95 -15.567 -12.970 -21.484 1.00 22.06 N ATOM 1454 CA ASP A 95 -14.693 -13.102 -22.644 1.00 22.57 C ATOM 1455 C ASP A 95 -13.243 -12.805 -22.281 1.00 21.80 C ATOM 1456 O ASP A 95 -12.967 -12.029 -21.366 1.00 20.81 O ATOM 1457 CB ASP A 95 -15.145 -12.158 -23.757 1.00 23.28 C ATOM 1458 CG ASP A 95 -16.624 -11.840 -23.680 1.00 23.89 C ATOM 1459 OD1 ASP A 95 -16.988 -10.909 -22.931 1.00 24.34 O ATOM 1460 OD2 ASP A 95 -17.415 -12.520 -24.366 1.00 24.00 O ATOM 0 H ASP A 95 -16.048 -12.073 -21.419 1.00 22.06 H new ATOM 0 HA ASP A 95 -14.757 -14.133 -22.992 1.00 22.57 H new ATOM 0 HB2 ASP A 95 -14.574 -11.232 -23.698 1.00 23.28 H new ATOM 0 HB3 ASP A 95 -14.923 -12.609 -24.724 1.00 23.28 H new ATOM 1465 N GLY A 96 -12.321 -13.428 -23.007 1.00 22.31 N ATOM 1466 CA GLY A 96 -10.908 -13.214 -22.759 1.00 21.77 C ATOM 1467 C GLY A 96 -10.409 -11.926 -23.384 1.00 21.93 C ATOM 1468 O GLY A 96 -9.210 -11.643 -23.365 1.00 21.68 O ATOM 0 H GLY A 96 -12.528 -14.079 -23.765 1.00 22.31 H new ATOM 0 HA2 GLY A 96 -10.729 -13.188 -21.684 1.00 21.77 H new ATOM 0 HA3 GLY A 96 -10.339 -14.054 -23.157 1.00 21.77 H new ATOM 1472 N ASP A 97 -11.335 -11.150 -23.944 1.00 22.44 N ATOM 1473 CA ASP A 97 -11.002 -9.884 -24.590 1.00 22.79 C ATOM 1474 C ASP A 97 -10.100 -9.026 -23.706 1.00 21.82 C ATOM 1475 O ASP A 97 -9.213 -8.329 -24.200 1.00 22.02 O ATOM 1476 CB ASP A 97 -12.282 -9.116 -24.935 1.00 23.40 C ATOM 1477 CG ASP A 97 -13.047 -8.666 -23.703 1.00 22.73 C ATOM 1478 OD1 ASP A 97 -13.546 -9.536 -22.957 1.00 22.66 O ATOM 1479 OD2 ASP A 97 -13.153 -7.442 -23.488 1.00 22.35 O ATOM 0 H ASP A 97 -12.329 -11.379 -23.963 1.00 22.44 H new ATOM 0 HA ASP A 97 -10.458 -10.110 -25.507 1.00 22.79 H new ATOM 0 HB2 ASP A 97 -12.026 -8.244 -25.537 1.00 23.40 H new ATOM 0 HB3 ASP A 97 -12.926 -9.748 -25.547 1.00 23.40 H new ATOM 1484 N GLY A 98 -10.331 -9.082 -22.398 1.00 20.85 N ATOM 1485 CA GLY A 98 -9.529 -8.307 -21.470 1.00 19.90 C ATOM 1486 C GLY A 98 -10.317 -7.184 -20.829 1.00 19.67 C ATOM 1487 O GLY A 98 -9.784 -6.430 -20.014 1.00 18.98 O ATOM 0 H GLY A 98 -11.059 -9.650 -21.965 1.00 20.85 H new ATOM 0 HA2 GLY A 98 -9.140 -8.965 -20.693 1.00 19.90 H new ATOM 0 HA3 GLY A 98 -8.669 -7.891 -21.996 1.00 19.90 H new ATOM 1491 N PHE A 99 -11.586 -7.067 -21.206 1.00 20.36 N ATOM 1492 CA PHE A 99 -12.452 -6.031 -20.658 1.00 20.37 C ATOM 1493 C PHE A 99 -13.796 -6.624 -20.242 1.00 20.60 C ATOM 1494 O PHE A 99 -14.207 -7.670 -20.749 1.00 21.08 O ATOM 1495 CB PHE A 99 -12.663 -4.903 -21.672 1.00 21.34 C ATOM 1496 CG PHE A 99 -11.481 -4.655 -22.567 1.00 21.51 C ATOM 1497 CD1 PHE A 99 -10.288 -4.179 -22.044 1.00 21.38 C ATOM 1498 CD2 PHE A 99 -11.560 -4.898 -23.929 1.00 21.92 C ATOM 1499 CE1 PHE A 99 -9.198 -3.951 -22.863 1.00 21.65 C ATOM 1500 CE2 PHE A 99 -10.474 -4.671 -24.753 1.00 22.21 C ATOM 1501 CZ PHE A 99 -9.295 -4.196 -24.225 1.00 22.08 C ATOM 0 H PHE A 99 -12.037 -7.677 -21.888 1.00 20.36 H new ATOM 0 HA PHE A 99 -11.964 -5.614 -19.777 1.00 20.37 H new ATOM 0 HB2 PHE A 99 -13.529 -5.141 -22.289 1.00 21.34 H new ATOM 0 HB3 PHE A 99 -12.897 -3.984 -21.134 1.00 21.34 H new ATOM 0 HD1 PHE A 99 -10.210 -3.984 -20.985 1.00 21.38 H new ATOM 0 HD2 PHE A 99 -12.482 -5.269 -24.352 1.00 21.92 H new ATOM 0 HE1 PHE A 99 -8.273 -3.583 -22.444 1.00 21.65 H new ATOM 0 HE2 PHE A 99 -10.551 -4.867 -25.812 1.00 22.21 H new ATOM 0 HZ PHE A 99 -8.448 -4.014 -24.869 1.00 22.08 H new ATOM 1511 N ILE A 100 -14.480 -5.954 -19.318 1.00 20.36 N ATOM 1512 CA ILE A 100 -15.768 -6.433 -18.828 1.00 20.66 C ATOM 1513 C ILE A 100 -16.905 -5.500 -19.230 1.00 21.62 C ATOM 1514 O ILE A 100 -16.726 -4.285 -19.318 1.00 21.77 O ATOM 1515 CB ILE A 100 -15.762 -6.569 -17.291 1.00 19.72 C ATOM 1516 CG1 ILE A 100 -14.524 -7.340 -16.831 1.00 18.71 C ATOM 1517 CG2 ILE A 100 -17.032 -7.260 -16.815 1.00 20.15 C ATOM 1518 CD1 ILE A 100 -14.375 -7.409 -15.325 1.00 17.74 C ATOM 0 H ILE A 100 -14.165 -5.081 -18.895 1.00 20.36 H new ATOM 0 HA ILE A 100 -15.930 -7.410 -19.283 1.00 20.66 H new ATOM 0 HB ILE A 100 -15.729 -5.572 -16.852 1.00 19.72 H new ATOM 0 HG12 ILE A 100 -14.569 -8.353 -17.230 1.00 18.71 H new ATOM 0 HG13 ILE A 100 -13.636 -6.870 -17.254 1.00 18.71 H new ATOM 0 HG21 ILE A 100 -17.013 -7.349 -15.729 1.00 20.15 H new ATOM 0 HG22 ILE A 100 -17.900 -6.673 -17.116 1.00 20.15 H new ATOM 0 HG23 ILE A 100 -17.094 -8.254 -17.259 1.00 20.15 H new ATOM 0 HD11 ILE A 100 -13.475 -7.971 -15.074 1.00 17.74 H new ATOM 0 HD12 ILE A 100 -14.298 -6.400 -14.920 1.00 17.74 H new ATOM 0 HD13 ILE A 100 -15.245 -7.906 -14.896 1.00 17.74 H new ATOM 1530 N SER A 101 -18.075 -6.084 -19.471 1.00 22.35 N ATOM 1531 CA SER A 101 -19.256 -5.317 -19.857 1.00 23.35 C ATOM 1532 C SER A 101 -20.355 -5.481 -18.811 1.00 23.43 C ATOM 1533 O SER A 101 -20.363 -6.464 -18.079 1.00 22.96 O ATOM 1534 CB SER A 101 -19.768 -5.766 -21.229 1.00 24.38 C ATOM 1535 OG SER A 101 -18.747 -5.687 -22.208 1.00 24.61 O ATOM 0 H SER A 101 -18.231 -7.090 -19.406 1.00 22.35 H new ATOM 0 HA SER A 101 -18.977 -4.265 -19.918 1.00 23.35 H new ATOM 0 HB2 SER A 101 -20.136 -6.790 -21.165 1.00 24.38 H new ATOM 0 HB3 SER A 101 -20.611 -5.142 -21.527 1.00 24.38 H new ATOM 0 HG SER A 101 -18.488 -4.750 -22.336 1.00 24.61 H new ATOM 1541 N PRO A 102 -21.290 -4.522 -18.712 1.00 24.11 N ATOM 1542 CA PRO A 102 -22.382 -4.598 -17.734 1.00 24.36 C ATOM 1543 C PRO A 102 -23.169 -5.903 -17.839 1.00 24.64 C ATOM 1544 O PRO A 102 -23.608 -6.456 -16.831 1.00 24.44 O ATOM 1545 CB PRO A 102 -23.273 -3.407 -18.095 1.00 25.42 C ATOM 1546 CG PRO A 102 -22.372 -2.455 -18.804 1.00 25.38 C ATOM 1547 CD PRO A 102 -21.363 -3.298 -19.530 1.00 24.81 C ATOM 0 HA PRO A 102 -22.009 -4.572 -16.710 1.00 24.36 H new ATOM 0 HB2 PRO A 102 -24.103 -3.713 -18.731 1.00 25.42 H new ATOM 0 HB3 PRO A 102 -23.705 -2.952 -17.204 1.00 25.42 H new ATOM 0 HG2 PRO A 102 -22.933 -1.833 -19.501 1.00 25.38 H new ATOM 0 HG3 PRO A 102 -21.883 -1.783 -18.099 1.00 25.38 H new ATOM 0 HD2 PRO A 102 -21.680 -3.515 -20.550 1.00 24.81 H new ATOM 0 HD3 PRO A 102 -20.396 -2.800 -19.595 1.00 24.81 H new ATOM 1555 N ALA A 103 -23.337 -6.393 -19.065 1.00 25.18 N ATOM 1556 CA ALA A 103 -24.074 -7.631 -19.305 1.00 25.58 C ATOM 1557 C ALA A 103 -23.373 -8.827 -18.672 1.00 24.70 C ATOM 1558 O ALA A 103 -23.987 -9.610 -17.944 1.00 24.78 O ATOM 1559 CB ALA A 103 -24.247 -7.860 -20.798 1.00 26.36 C ATOM 0 H ALA A 103 -22.972 -5.951 -19.909 1.00 25.18 H new ATOM 0 HA ALA A 103 -25.055 -7.530 -18.841 1.00 25.58 H new ATOM 0 HB1 ALA A 103 -24.798 -8.786 -20.963 1.00 26.36 H new ATOM 0 HB2 ALA A 103 -24.800 -7.027 -21.232 1.00 26.36 H new ATOM 0 HB3 ALA A 103 -23.268 -7.931 -21.271 1.00 26.36 H new ATOM 1565 N GLU A 104 -22.082 -8.956 -18.951 1.00 23.94 N ATOM 1566 CA GLU A 104 -21.289 -10.057 -18.419 1.00 23.10 C ATOM 1567 C GLU A 104 -21.068 -9.870 -16.925 1.00 22.34 C ATOM 1568 O GLU A 104 -21.078 -10.832 -16.153 1.00 22.06 O ATOM 1569 CB GLU A 104 -19.939 -10.174 -19.147 1.00 22.54 C ATOM 1570 CG GLU A 104 -19.528 -8.939 -19.932 1.00 23.20 C ATOM 1571 CD GLU A 104 -18.117 -9.041 -20.484 1.00 22.77 C ATOM 1572 OE1 GLU A 104 -17.193 -9.348 -19.702 1.00 22.70 O ATOM 1573 OE2 GLU A 104 -17.936 -8.820 -21.700 1.00 22.57 O ATOM 0 H GLU A 104 -21.561 -8.310 -19.544 1.00 23.94 H new ATOM 0 HA GLU A 104 -21.841 -10.982 -18.584 1.00 23.10 H new ATOM 0 HB2 GLU A 104 -19.164 -10.395 -18.413 1.00 22.54 H new ATOM 0 HB3 GLU A 104 -19.983 -11.023 -19.829 1.00 22.54 H new ATOM 0 HG2 GLU A 104 -20.226 -8.787 -20.755 1.00 23.20 H new ATOM 0 HG3 GLU A 104 -19.600 -8.063 -19.288 1.00 23.20 H new ATOM 1580 N LEU A 105 -20.891 -8.617 -16.526 1.00 22.13 N ATOM 1581 CA LEU A 105 -20.674 -8.284 -15.131 1.00 21.50 C ATOM 1582 C LEU A 105 -21.811 -8.839 -14.289 1.00 22.09 C ATOM 1583 O LEU A 105 -21.586 -9.588 -13.340 1.00 21.66 O ATOM 1584 CB LEU A 105 -20.580 -6.766 -14.959 1.00 21.47 C ATOM 1585 CG LEU A 105 -20.001 -6.306 -13.625 1.00 20.64 C ATOM 1586 CD1 LEU A 105 -19.178 -5.039 -13.803 1.00 20.35 C ATOM 1587 CD2 LEU A 105 -21.114 -6.074 -12.615 1.00 20.76 C ATOM 0 H LEU A 105 -20.894 -7.814 -17.155 1.00 22.13 H new ATOM 0 HA LEU A 105 -19.736 -8.729 -14.800 1.00 21.50 H new ATOM 0 HB2 LEU A 105 -19.967 -6.361 -15.764 1.00 21.47 H new ATOM 0 HB3 LEU A 105 -21.577 -6.340 -15.072 1.00 21.47 H new ATOM 0 HG LEU A 105 -19.346 -7.092 -13.249 1.00 20.64 H new ATOM 0 HD11 LEU A 105 -18.775 -4.729 -12.839 1.00 20.35 H new ATOM 0 HD12 LEU A 105 -18.358 -5.232 -14.494 1.00 20.35 H new ATOM 0 HD13 LEU A 105 -19.811 -4.247 -14.203 1.00 20.35 H new ATOM 0 HD21 LEU A 105 -20.684 -5.746 -11.669 1.00 20.76 H new ATOM 0 HD22 LEU A 105 -21.792 -5.307 -12.990 1.00 20.76 H new ATOM 0 HD23 LEU A 105 -21.665 -7.002 -12.461 1.00 20.76 H new ATOM 1599 N ARG A 106 -23.034 -8.473 -14.659 1.00 23.15 N ATOM 1600 CA ARG A 106 -24.220 -8.929 -13.952 1.00 23.87 C ATOM 1601 C ARG A 106 -24.281 -10.454 -13.876 1.00 23.93 C ATOM 1602 O ARG A 106 -24.464 -11.024 -12.801 1.00 24.00 O ATOM 1603 CB ARG A 106 -25.479 -8.376 -14.630 1.00 25.01 C ATOM 1604 CG ARG A 106 -26.705 -9.262 -14.476 1.00 25.84 C ATOM 1605 CD ARG A 106 -27.909 -8.679 -15.196 1.00 26.70 C ATOM 1606 NE ARG A 106 -27.641 -8.457 -16.613 1.00 27.44 N ATOM 1607 CZ ARG A 106 -28.548 -8.619 -17.573 1.00 28.28 C ATOM 1608 NH1 ARG A 106 -29.779 -9.009 -17.270 1.00 28.51 N ATOM 1609 NH2 ARG A 106 -28.222 -8.391 -18.838 1.00 28.96 N ATOM 0 H ARG A 106 -23.228 -7.858 -15.450 1.00 23.15 H new ATOM 0 HA ARG A 106 -24.167 -8.553 -12.930 1.00 23.87 H new ATOM 0 HB2 ARG A 106 -25.700 -7.392 -14.215 1.00 25.01 H new ATOM 0 HB3 ARG A 106 -25.276 -8.236 -15.692 1.00 25.01 H new ATOM 0 HG2 ARG A 106 -26.489 -10.255 -14.871 1.00 25.84 H new ATOM 0 HG3 ARG A 106 -26.937 -9.383 -13.418 1.00 25.84 H new ATOM 0 HD2 ARG A 106 -28.758 -9.354 -15.089 1.00 26.70 H new ATOM 0 HD3 ARG A 106 -28.190 -7.736 -14.728 1.00 26.70 H new ATOM 0 HE ARG A 106 -26.703 -8.160 -16.884 1.00 27.44 H new ATOM 0 HH11 ARG A 106 -30.033 -9.186 -16.298 1.00 28.51 H new ATOM 0 HH12 ARG A 106 -30.471 -9.132 -18.009 1.00 28.51 H new ATOM 0 HH21 ARG A 106 -27.276 -8.092 -19.075 1.00 28.96 H new ATOM 0 HH22 ARG A 106 -28.917 -8.515 -19.574 1.00 28.96 H new ATOM 1623 N PHE A 107 -24.126 -11.106 -15.021 1.00 24.01 N ATOM 1624 CA PHE A 107 -24.182 -12.563 -15.090 1.00 24.21 C ATOM 1625 C PHE A 107 -23.298 -13.224 -14.029 1.00 23.32 C ATOM 1626 O PHE A 107 -23.630 -14.299 -13.525 1.00 23.61 O ATOM 1627 CB PHE A 107 -23.763 -13.038 -16.483 1.00 24.45 C ATOM 1628 CG PHE A 107 -23.798 -14.532 -16.648 1.00 25.01 C ATOM 1629 CD1 PHE A 107 -25.001 -15.191 -16.852 1.00 25.33 C ATOM 1630 CD2 PHE A 107 -22.630 -15.275 -16.600 1.00 25.30 C ATOM 1631 CE1 PHE A 107 -25.036 -16.563 -17.005 1.00 25.94 C ATOM 1632 CE2 PHE A 107 -22.660 -16.649 -16.752 1.00 25.91 C ATOM 1633 CZ PHE A 107 -23.865 -17.293 -16.955 1.00 26.22 C ATOM 0 H PHE A 107 -23.960 -10.649 -15.918 1.00 24.01 H new ATOM 0 HA PHE A 107 -25.212 -12.859 -14.893 1.00 24.21 H new ATOM 0 HB2 PHE A 107 -24.420 -12.584 -17.225 1.00 24.45 H new ATOM 0 HB3 PHE A 107 -22.754 -12.682 -16.690 1.00 24.45 H new ATOM 0 HD1 PHE A 107 -25.920 -14.625 -16.892 1.00 25.33 H new ATOM 0 HD2 PHE A 107 -21.685 -14.776 -16.442 1.00 25.30 H new ATOM 0 HE1 PHE A 107 -25.979 -17.065 -17.164 1.00 25.94 H new ATOM 0 HE2 PHE A 107 -21.743 -17.218 -16.712 1.00 25.91 H new ATOM 0 HZ PHE A 107 -23.891 -18.366 -17.074 1.00 26.22 H new ATOM 1643 N VAL A 108 -22.179 -12.588 -13.689 1.00 22.31 N ATOM 1644 CA VAL A 108 -21.257 -13.157 -12.704 1.00 21.42 C ATOM 1645 C VAL A 108 -21.683 -12.917 -11.250 1.00 21.31 C ATOM 1646 O VAL A 108 -21.808 -13.869 -10.487 1.00 21.31 O ATOM 1647 CB VAL A 108 -19.827 -12.632 -12.906 1.00 20.36 C ATOM 1648 CG1 VAL A 108 -18.870 -13.305 -11.932 1.00 19.77 C ATOM 1649 CG2 VAL A 108 -19.383 -12.858 -14.342 1.00 20.26 C ATOM 0 H VAL A 108 -21.889 -11.689 -14.075 1.00 22.31 H new ATOM 0 HA VAL A 108 -21.285 -14.233 -12.878 1.00 21.42 H new ATOM 0 HB VAL A 108 -19.816 -11.560 -12.707 1.00 20.36 H new ATOM 0 HG11 VAL A 108 -17.862 -12.922 -12.089 1.00 19.77 H new ATOM 0 HG12 VAL A 108 -19.183 -13.094 -10.910 1.00 19.77 H new ATOM 0 HG13 VAL A 108 -18.879 -14.382 -12.099 1.00 19.77 H new ATOM 0 HG21 VAL A 108 -18.368 -12.482 -14.473 1.00 20.26 H new ATOM 0 HG22 VAL A 108 -19.406 -13.924 -14.567 1.00 20.26 H new ATOM 0 HG23 VAL A 108 -20.055 -12.330 -15.018 1.00 20.26 H new ATOM 1659 N MET A 109 -21.895 -11.656 -10.864 1.00 21.33 N ATOM 1660 CA MET A 109 -22.284 -11.331 -9.486 1.00 21.35 C ATOM 1661 C MET A 109 -23.371 -12.272 -8.978 1.00 22.24 C ATOM 1662 O MET A 109 -23.268 -12.814 -7.877 1.00 22.21 O ATOM 1663 CB MET A 109 -22.776 -9.888 -9.375 1.00 21.65 C ATOM 1664 CG MET A 109 -22.631 -9.083 -10.652 1.00 20.93 C ATOM 1665 SD MET A 109 -23.912 -7.837 -10.819 1.00 20.76 S ATOM 1666 CE MET A 109 -25.382 -8.865 -10.798 1.00 21.25 C ATOM 0 H MET A 109 -21.805 -10.848 -11.480 1.00 21.33 H new ATOM 0 HA MET A 109 -21.393 -11.453 -8.870 1.00 21.35 H new ATOM 0 HB2 MET A 109 -23.825 -9.895 -9.080 1.00 21.65 H new ATOM 0 HB3 MET A 109 -22.225 -9.388 -8.579 1.00 21.65 H new ATOM 0 HG2 MET A 109 -21.654 -8.601 -10.666 1.00 20.93 H new ATOM 0 HG3 MET A 109 -22.667 -9.755 -11.509 1.00 20.93 H new ATOM 0 HE1 MET A 109 -25.951 -8.705 -11.714 1.00 21.25 H new ATOM 0 HE2 MET A 109 -25.092 -9.913 -10.730 1.00 21.25 H new ATOM 0 HE3 MET A 109 -25.998 -8.602 -9.938 1.00 21.25 H new ATOM 1676 N ILE A 110 -24.410 -12.454 -9.784 1.00 23.11 N ATOM 1677 CA ILE A 110 -25.519 -13.329 -9.422 1.00 24.06 C ATOM 1678 C ILE A 110 -25.011 -14.706 -9.008 1.00 23.82 C ATOM 1679 O ILE A 110 -25.547 -15.331 -8.092 1.00 24.33 O ATOM 1680 CB ILE A 110 -26.506 -13.482 -10.594 1.00 25.05 C ATOM 1681 CG1 ILE A 110 -26.939 -12.104 -11.099 1.00 25.40 C ATOM 1682 CG2 ILE A 110 -27.716 -14.302 -10.168 1.00 26.06 C ATOM 1683 CD1 ILE A 110 -27.646 -12.147 -12.434 1.00 26.28 C ATOM 0 H ILE A 110 -24.508 -12.006 -10.695 1.00 23.11 H new ATOM 0 HA ILE A 110 -26.036 -12.870 -8.579 1.00 24.06 H new ATOM 0 HB ILE A 110 -26.007 -14.009 -11.407 1.00 25.05 H new ATOM 0 HG12 ILE A 110 -27.599 -11.646 -10.362 1.00 25.40 H new ATOM 0 HG13 ILE A 110 -26.061 -11.464 -11.182 1.00 25.40 H new ATOM 0 HG21 ILE A 110 -28.403 -14.400 -11.008 1.00 26.06 H new ATOM 0 HG22 ILE A 110 -27.390 -15.292 -9.848 1.00 26.06 H new ATOM 0 HG23 ILE A 110 -28.222 -13.802 -9.342 1.00 26.06 H new ATOM 0 HD11 ILE A 110 -27.924 -11.136 -12.731 1.00 26.28 H new ATOM 0 HD12 ILE A 110 -26.981 -12.575 -13.184 1.00 26.28 H new ATOM 0 HD13 ILE A 110 -28.543 -12.761 -12.351 1.00 26.28 H new ATOM 1695 N ASN A 111 -23.971 -15.169 -9.694 1.00 23.14 N ATOM 1696 CA ASN A 111 -23.372 -16.465 -9.402 1.00 22.94 C ATOM 1697 C ASN A 111 -22.754 -16.470 -8.009 1.00 22.38 C ATOM 1698 O ASN A 111 -22.917 -17.422 -7.246 1.00 22.72 O ATOM 1699 CB ASN A 111 -22.300 -16.797 -10.443 1.00 22.34 C ATOM 1700 CG ASN A 111 -22.869 -16.908 -11.845 1.00 23.08 C ATOM 1701 OD1 ASN A 111 -24.028 -17.279 -12.031 1.00 23.74 O ATOM 1702 ND2 ASN A 111 -22.053 -16.585 -12.842 1.00 23.04 N ATOM 0 H ASN A 111 -23.525 -14.663 -10.459 1.00 23.14 H new ATOM 0 HA ASN A 111 -24.157 -17.221 -9.440 1.00 22.94 H new ATOM 0 HB2 ASN A 111 -21.530 -16.025 -10.426 1.00 22.34 H new ATOM 0 HB3 ASN A 111 -21.816 -17.736 -10.175 1.00 22.34 H new ATOM 0 HD21 ASN A 111 -22.380 -16.640 -13.807 1.00 23.04 H new ATOM 0 HD22 ASN A 111 -21.100 -16.282 -12.643 1.00 23.04 H new ATOM 1709 N LEU A 112 -22.042 -15.394 -7.687 1.00 21.58 N ATOM 1710 CA LEU A 112 -21.396 -15.260 -6.387 1.00 21.04 C ATOM 1711 C LEU A 112 -22.430 -15.257 -5.268 1.00 21.87 C ATOM 1712 O LEU A 112 -22.172 -15.737 -4.164 1.00 21.84 O ATOM 1713 CB LEU A 112 -20.569 -13.971 -6.335 1.00 20.05 C ATOM 1714 CG LEU A 112 -19.274 -13.995 -7.148 1.00 19.21 C ATOM 1715 CD1 LEU A 112 -19.568 -14.058 -8.639 1.00 19.02 C ATOM 1716 CD2 LEU A 112 -18.420 -12.778 -6.827 1.00 18.68 C ATOM 0 H LEU A 112 -21.898 -14.600 -8.311 1.00 21.58 H new ATOM 0 HA LEU A 112 -20.734 -16.114 -6.247 1.00 21.04 H new ATOM 0 HB2 LEU A 112 -21.187 -13.147 -6.691 1.00 20.05 H new ATOM 0 HB3 LEU A 112 -20.322 -13.758 -5.295 1.00 20.05 H new ATOM 0 HG LEU A 112 -18.719 -14.892 -6.873 1.00 19.21 H new ATOM 0 HD11 LEU A 112 -18.630 -14.074 -9.194 1.00 19.02 H new ATOM 0 HD12 LEU A 112 -20.136 -14.962 -8.860 1.00 19.02 H new ATOM 0 HD13 LEU A 112 -20.149 -13.184 -8.933 1.00 19.02 H new ATOM 0 HD21 LEU A 112 -17.503 -12.812 -7.415 1.00 18.68 H new ATOM 0 HD22 LEU A 112 -18.973 -11.871 -7.070 1.00 18.68 H new ATOM 0 HD23 LEU A 112 -18.171 -12.778 -5.766 1.00 18.68 H new ATOM 1728 N GLY A 113 -23.601 -14.709 -5.569 1.00 22.70 N ATOM 1729 CA GLY A 113 -24.669 -14.644 -4.589 1.00 23.62 C ATOM 1730 C GLY A 113 -24.881 -13.238 -4.064 1.00 23.76 C ATOM 1731 O GLY A 113 -25.453 -13.046 -2.991 1.00 24.44 O ATOM 0 H GLY A 113 -23.831 -14.307 -6.478 1.00 22.70 H new ATOM 0 HA2 GLY A 113 -25.594 -15.005 -5.038 1.00 23.62 H new ATOM 0 HA3 GLY A 113 -24.437 -15.309 -3.757 1.00 23.62 H new ATOM 1735 N GLU A 114 -24.421 -12.253 -4.829 1.00 23.22 N ATOM 1736 CA GLU A 114 -24.547 -10.861 -4.453 1.00 23.41 C ATOM 1737 C GLU A 114 -25.947 -10.332 -4.749 1.00 24.22 C ATOM 1738 O GLU A 114 -26.509 -9.567 -3.963 1.00 24.14 O ATOM 1739 CB GLU A 114 -23.506 -10.045 -5.213 1.00 22.59 C ATOM 1740 CG GLU A 114 -22.096 -10.193 -4.667 1.00 21.89 C ATOM 1741 CD GLU A 114 -21.066 -9.461 -5.506 1.00 21.84 C ATOM 1742 OE1 GLU A 114 -20.859 -8.251 -5.270 1.00 21.97 O ATOM 1743 OE2 GLU A 114 -20.468 -10.095 -6.401 1.00 21.76 O ATOM 0 H GLU A 114 -23.953 -12.403 -5.723 1.00 23.22 H new ATOM 0 HA GLU A 114 -24.380 -10.771 -3.380 1.00 23.41 H new ATOM 0 HB2 GLU A 114 -23.514 -10.347 -6.260 1.00 22.59 H new ATOM 0 HB3 GLU A 114 -23.789 -8.993 -5.183 1.00 22.59 H new ATOM 0 HG2 GLU A 114 -22.064 -9.813 -3.646 1.00 21.89 H new ATOM 0 HG3 GLU A 114 -21.837 -11.251 -4.622 1.00 21.89 H new ATOM 1750 N LYS A 115 -26.506 -10.752 -5.882 1.00 25.07 N ATOM 1751 CA LYS A 115 -27.835 -10.319 -6.292 1.00 25.94 C ATOM 1752 C LYS A 115 -27.967 -8.802 -6.202 1.00 25.87 C ATOM 1753 O LYS A 115 -28.555 -8.273 -5.258 1.00 26.08 O ATOM 1754 CB LYS A 115 -28.903 -10.994 -5.431 1.00 27.05 C ATOM 1755 CG LYS A 115 -28.860 -12.513 -5.486 1.00 27.83 C ATOM 1756 CD LYS A 115 -29.991 -13.136 -4.682 1.00 28.38 C ATOM 1757 CE LYS A 115 -29.816 -12.898 -3.190 1.00 29.16 C ATOM 1758 NZ LYS A 115 -30.935 -13.482 -2.401 1.00 29.75 N ATOM 0 H LYS A 115 -26.055 -11.394 -6.533 1.00 25.07 H new ATOM 0 HA LYS A 115 -27.981 -10.613 -7.331 1.00 25.94 H new ATOM 0 HB2 LYS A 115 -28.780 -10.673 -4.397 1.00 27.05 H new ATOM 0 HB3 LYS A 115 -29.887 -10.655 -5.755 1.00 27.05 H new ATOM 0 HG2 LYS A 115 -28.926 -12.842 -6.523 1.00 27.83 H new ATOM 0 HG3 LYS A 115 -27.903 -12.864 -5.101 1.00 27.83 H new ATOM 0 HD2 LYS A 115 -30.943 -12.718 -5.008 1.00 28.38 H new ATOM 0 HD3 LYS A 115 -30.030 -14.208 -4.878 1.00 28.38 H new ATOM 0 HE2 LYS A 115 -28.873 -13.334 -2.861 1.00 29.16 H new ATOM 0 HE3 LYS A 115 -29.756 -11.827 -2.998 1.00 29.16 H new ATOM 0 HZ1 LYS A 115 -30.779 -13.299 -1.389 1.00 29.75 H new ATOM 0 HZ2 LYS A 115 -31.832 -13.048 -2.697 1.00 29.75 H new ATOM 0 HZ3 LYS A 115 -30.977 -14.508 -2.565 1.00 29.75 H new ATOM 1772 N VAL A 116 -27.414 -8.110 -7.193 1.00 25.67 N ATOM 1773 CA VAL A 116 -27.459 -6.652 -7.227 1.00 25.69 C ATOM 1774 C VAL A 116 -28.273 -6.144 -8.397 1.00 26.53 C ATOM 1775 O VAL A 116 -28.458 -6.841 -9.396 1.00 26.78 O ATOM 1776 CB VAL A 116 -26.064 -6.024 -7.357 1.00 24.51 C ATOM 1777 CG1 VAL A 116 -25.123 -6.509 -6.272 1.00 23.77 C ATOM 1778 CG2 VAL A 116 -25.479 -6.309 -8.721 1.00 24.02 C ATOM 0 H VAL A 116 -26.929 -8.535 -7.983 1.00 25.67 H new ATOM 0 HA VAL A 116 -27.915 -6.363 -6.280 1.00 25.69 H new ATOM 0 HB VAL A 116 -26.181 -4.947 -7.237 1.00 24.51 H new ATOM 0 HG11 VAL A 116 -24.147 -6.041 -6.401 1.00 23.77 H new ATOM 0 HG12 VAL A 116 -25.527 -6.244 -5.295 1.00 23.77 H new ATOM 0 HG13 VAL A 116 -25.017 -7.592 -6.339 1.00 23.77 H new ATOM 0 HG21 VAL A 116 -24.490 -5.856 -8.795 1.00 24.02 H new ATOM 0 HG22 VAL A 116 -25.396 -7.386 -8.863 1.00 24.02 H new ATOM 0 HG23 VAL A 116 -26.128 -5.890 -9.490 1.00 24.02 H new ATOM 1788 N THR A 117 -28.758 -4.921 -8.263 1.00 27.04 N ATOM 1789 CA THR A 117 -29.514 -4.294 -9.324 1.00 27.90 C ATOM 1790 C THR A 117 -28.559 -3.807 -10.404 1.00 27.38 C ATOM 1791 O THR A 117 -27.491 -3.275 -10.101 1.00 26.61 O ATOM 1792 CB THR A 117 -30.345 -3.107 -8.802 1.00 28.88 C ATOM 1793 OG1 THR A 117 -29.477 -2.057 -8.357 1.00 28.45 O ATOM 1794 CG2 THR A 117 -31.244 -3.543 -7.658 1.00 29.54 C ATOM 0 H THR A 117 -28.640 -4.346 -7.429 1.00 27.04 H new ATOM 0 HA THR A 117 -30.202 -5.034 -9.733 1.00 27.90 H new ATOM 0 HB THR A 117 -30.968 -2.741 -9.618 1.00 28.88 H new ATOM 0 HG1 THR A 117 -30.014 -1.306 -8.028 1.00 28.45 H new ATOM 0 HG21 THR A 117 -31.822 -2.689 -7.304 1.00 29.54 H new ATOM 0 HG22 THR A 117 -31.923 -4.322 -8.005 1.00 29.54 H new ATOM 0 HG23 THR A 117 -30.633 -3.931 -6.843 1.00 29.54 H new ATOM 1802 N ASP A 118 -28.940 -4.003 -11.664 1.00 27.85 N ATOM 1803 CA ASP A 118 -28.115 -3.584 -12.795 1.00 27.53 C ATOM 1804 C ASP A 118 -27.675 -2.128 -12.646 1.00 27.56 C ATOM 1805 O ASP A 118 -26.771 -1.672 -13.342 1.00 27.11 O ATOM 1806 CB ASP A 118 -28.888 -3.755 -14.103 1.00 28.39 C ATOM 1807 CG ASP A 118 -29.117 -5.210 -14.456 1.00 28.44 C ATOM 1808 OD1 ASP A 118 -29.898 -5.879 -13.747 1.00 28.40 O ATOM 1809 OD2 ASP A 118 -28.516 -5.681 -15.445 1.00 28.58 O ATOM 0 H ASP A 118 -29.818 -4.451 -11.928 1.00 27.85 H new ATOM 0 HA ASP A 118 -27.226 -4.214 -12.813 1.00 27.53 H new ATOM 0 HB2 ASP A 118 -29.850 -3.249 -14.022 1.00 28.39 H new ATOM 0 HB3 ASP A 118 -28.340 -3.270 -14.911 1.00 28.39 H new ATOM 1814 N GLU A 119 -28.324 -1.410 -11.734 1.00 28.18 N ATOM 1815 CA GLU A 119 -28.020 -0.004 -11.492 1.00 28.39 C ATOM 1816 C GLU A 119 -26.744 0.177 -10.667 1.00 27.39 C ATOM 1817 O GLU A 119 -25.884 0.983 -11.022 1.00 26.99 O ATOM 1818 CB GLU A 119 -29.196 0.663 -10.779 1.00 29.53 C ATOM 1819 CG GLU A 119 -30.537 0.398 -11.444 1.00 30.59 C ATOM 1820 CD GLU A 119 -31.692 1.042 -10.704 1.00 31.58 C ATOM 1821 OE1 GLU A 119 -32.192 0.431 -9.735 1.00 31.92 O ATOM 1822 OE2 GLU A 119 -32.100 2.156 -11.094 1.00 32.06 O ATOM 0 H GLU A 119 -29.070 -1.783 -11.146 1.00 28.18 H new ATOM 0 HA GLU A 119 -27.854 0.468 -12.460 1.00 28.39 H new ATOM 0 HB2 GLU A 119 -29.234 0.309 -9.749 1.00 29.53 H new ATOM 0 HB3 GLU A 119 -29.025 1.739 -10.741 1.00 29.53 H new ATOM 0 HG2 GLU A 119 -30.511 0.773 -12.467 1.00 30.59 H new ATOM 0 HG3 GLU A 119 -30.703 -0.678 -11.503 1.00 30.59 H new ATOM 1829 N GLU A 120 -26.621 -0.568 -9.567 1.00 27.04 N ATOM 1830 CA GLU A 120 -25.448 -0.450 -8.702 1.00 26.15 C ATOM 1831 C GLU A 120 -24.160 -0.751 -9.465 1.00 24.97 C ATOM 1832 O GLU A 120 -23.149 -0.068 -9.290 1.00 24.41 O ATOM 1833 CB GLU A 120 -25.580 -1.352 -7.467 1.00 26.05 C ATOM 1834 CG GLU A 120 -24.969 -2.736 -7.611 1.00 25.61 C ATOM 1835 CD GLU A 120 -24.608 -3.341 -6.268 1.00 25.53 C ATOM 1836 OE1 GLU A 120 -25.527 -3.559 -5.450 1.00 26.13 O ATOM 1837 OE2 GLU A 120 -23.408 -3.594 -6.033 1.00 24.93 O ATOM 0 H GLU A 120 -27.311 -1.252 -9.257 1.00 27.04 H new ATOM 0 HA GLU A 120 -25.395 0.583 -8.360 1.00 26.15 H new ATOM 0 HB2 GLU A 120 -25.112 -0.852 -6.619 1.00 26.05 H new ATOM 0 HB3 GLU A 120 -26.638 -1.462 -7.228 1.00 26.05 H new ATOM 0 HG2 GLU A 120 -25.672 -3.391 -8.126 1.00 25.61 H new ATOM 0 HG3 GLU A 120 -24.076 -2.675 -8.233 1.00 25.61 H new ATOM 1844 N ILE A 121 -24.200 -1.764 -10.323 1.00 24.65 N ATOM 1845 CA ILE A 121 -23.028 -2.143 -11.099 1.00 23.60 C ATOM 1846 C ILE A 121 -22.832 -1.222 -12.296 1.00 23.80 C ATOM 1847 O ILE A 121 -21.701 -0.971 -12.712 1.00 23.05 O ATOM 1848 CB ILE A 121 -23.109 -3.601 -11.575 1.00 23.30 C ATOM 1849 CG1 ILE A 121 -24.402 -3.842 -12.354 1.00 24.33 C ATOM 1850 CG2 ILE A 121 -23.016 -4.537 -10.381 1.00 22.99 C ATOM 1851 CD1 ILE A 121 -24.450 -5.182 -13.056 1.00 24.19 C ATOM 0 H ILE A 121 -25.027 -2.334 -10.498 1.00 24.65 H new ATOM 0 HA ILE A 121 -22.169 -2.044 -10.436 1.00 23.60 H new ATOM 0 HB ILE A 121 -22.273 -3.802 -12.244 1.00 23.30 H new ATOM 0 HG12 ILE A 121 -25.247 -3.770 -11.669 1.00 24.33 H new ATOM 0 HG13 ILE A 121 -24.523 -3.050 -13.093 1.00 24.33 H new ATOM 0 HG21 ILE A 121 -23.074 -5.570 -10.723 1.00 22.99 H new ATOM 0 HG22 ILE A 121 -22.068 -4.378 -9.867 1.00 22.99 H new ATOM 0 HG23 ILE A 121 -23.839 -4.335 -9.696 1.00 22.99 H new ATOM 0 HD11 ILE A 121 -25.397 -5.281 -13.587 1.00 24.19 H new ATOM 0 HD12 ILE A 121 -23.626 -5.250 -13.767 1.00 24.19 H new ATOM 0 HD13 ILE A 121 -24.361 -5.981 -12.320 1.00 24.19 H new ATOM 1863 N ASP A 122 -23.932 -0.722 -12.852 1.00 24.87 N ATOM 1864 CA ASP A 122 -23.854 0.186 -13.990 1.00 25.26 C ATOM 1865 C ASP A 122 -23.098 1.445 -13.591 1.00 25.13 C ATOM 1866 O ASP A 122 -22.349 2.016 -14.384 1.00 24.95 O ATOM 1867 CB ASP A 122 -25.253 0.549 -14.492 1.00 26.55 C ATOM 1868 CG ASP A 122 -25.220 1.563 -15.617 1.00 27.08 C ATOM 1869 OD1 ASP A 122 -25.150 1.144 -16.792 1.00 27.28 O ATOM 1870 OD2 ASP A 122 -25.262 2.777 -15.324 1.00 27.39 O ATOM 0 H ASP A 122 -24.880 -0.928 -12.536 1.00 24.87 H new ATOM 0 HA ASP A 122 -23.321 -0.314 -14.799 1.00 25.26 H new ATOM 0 HB2 ASP A 122 -25.758 -0.354 -14.836 1.00 26.55 H new ATOM 0 HB3 ASP A 122 -25.840 0.948 -13.665 1.00 26.55 H new ATOM 1875 N GLU A 123 -23.301 1.867 -12.346 1.00 25.32 N ATOM 1876 CA GLU A 123 -22.632 3.046 -11.818 1.00 25.30 C ATOM 1877 C GLU A 123 -21.175 2.726 -11.508 1.00 24.05 C ATOM 1878 O GLU A 123 -20.292 3.560 -11.701 1.00 23.89 O ATOM 1879 CB GLU A 123 -23.342 3.541 -10.555 1.00 25.91 C ATOM 1880 CG GLU A 123 -24.770 4.002 -10.804 1.00 27.23 C ATOM 1881 CD GLU A 123 -25.475 4.425 -9.531 1.00 27.86 C ATOM 1882 OE1 GLU A 123 -25.304 5.590 -9.114 1.00 28.28 O ATOM 1883 OE2 GLU A 123 -26.200 3.589 -8.948 1.00 27.98 O ATOM 0 H GLU A 123 -23.926 1.406 -11.684 1.00 25.32 H new ATOM 0 HA GLU A 123 -22.669 3.834 -12.570 1.00 25.30 H new ATOM 0 HB2 GLU A 123 -23.351 2.741 -9.815 1.00 25.91 H new ATOM 0 HB3 GLU A 123 -22.772 4.365 -10.126 1.00 25.91 H new ATOM 0 HG2 GLU A 123 -24.762 4.837 -11.505 1.00 27.23 H new ATOM 0 HG3 GLU A 123 -25.332 3.195 -11.275 1.00 27.23 H new ATOM 1890 N MET A 124 -20.934 1.508 -11.027 1.00 23.22 N ATOM 1891 CA MET A 124 -19.585 1.070 -10.703 1.00 21.99 C ATOM 1892 C MET A 124 -18.715 1.053 -11.957 1.00 21.54 C ATOM 1893 O MET A 124 -17.530 1.381 -11.908 1.00 20.82 O ATOM 1894 CB MET A 124 -19.625 -0.319 -10.064 1.00 21.32 C ATOM 1895 CG MET A 124 -18.252 -0.928 -9.848 1.00 20.01 C ATOM 1896 SD MET A 124 -18.327 -2.597 -9.168 1.00 19.35 S ATOM 1897 CE MET A 124 -19.162 -3.468 -10.492 1.00 19.76 C ATOM 0 H MET A 124 -21.657 0.810 -10.854 1.00 23.22 H new ATOM 0 HA MET A 124 -19.150 1.772 -9.992 1.00 21.99 H new ATOM 0 HB2 MET A 124 -20.139 -0.254 -9.105 1.00 21.32 H new ATOM 0 HB3 MET A 124 -20.213 -0.984 -10.697 1.00 21.32 H new ATOM 0 HG2 MET A 124 -17.716 -0.951 -10.797 1.00 20.01 H new ATOM 0 HG3 MET A 124 -17.679 -0.291 -9.174 1.00 20.01 H new ATOM 0 HE1 MET A 124 -18.917 -4.529 -10.441 1.00 19.76 H new ATOM 0 HE2 MET A 124 -20.239 -3.339 -10.390 1.00 19.76 H new ATOM 0 HE3 MET A 124 -18.838 -3.067 -11.452 1.00 19.76 H new ATOM 1907 N ILE A 125 -19.316 0.667 -13.080 1.00 22.08 N ATOM 1908 CA ILE A 125 -18.604 0.616 -14.351 1.00 21.89 C ATOM 1909 C ILE A 125 -18.329 2.022 -14.871 1.00 22.49 C ATOM 1910 O ILE A 125 -17.266 2.291 -15.426 1.00 22.09 O ATOM 1911 CB ILE A 125 -19.399 -0.171 -15.417 1.00 22.46 C ATOM 1912 CG1 ILE A 125 -19.520 -1.644 -15.011 1.00 21.89 C ATOM 1913 CG2 ILE A 125 -18.737 -0.044 -16.785 1.00 22.55 C ATOM 1914 CD1 ILE A 125 -20.349 -2.475 -15.967 1.00 22.55 C ATOM 0 H ILE A 125 -20.295 0.385 -13.134 1.00 22.08 H new ATOM 0 HA ILE A 125 -17.660 0.102 -14.168 1.00 21.89 H new ATOM 0 HB ILE A 125 -20.401 0.253 -15.484 1.00 22.46 H new ATOM 0 HG12 ILE A 125 -18.521 -2.075 -14.941 1.00 21.89 H new ATOM 0 HG13 ILE A 125 -19.962 -1.702 -14.016 1.00 21.89 H new ATOM 0 HG21 ILE A 125 -19.312 -0.605 -17.521 1.00 22.55 H new ATOM 0 HG22 ILE A 125 -18.702 1.006 -17.076 1.00 22.55 H new ATOM 0 HG23 ILE A 125 -17.723 -0.442 -16.737 1.00 22.55 H new ATOM 0 HD11 ILE A 125 -20.389 -3.505 -15.613 1.00 22.55 H new ATOM 0 HD12 ILE A 125 -21.360 -2.070 -16.019 1.00 22.55 H new ATOM 0 HD13 ILE A 125 -19.896 -2.449 -16.958 1.00 22.55 H new ATOM 1926 N ARG A 126 -19.297 2.914 -14.689 1.00 23.53 N ATOM 1927 CA ARG A 126 -19.161 4.295 -15.138 1.00 24.28 C ATOM 1928 C ARG A 126 -18.108 5.039 -14.320 1.00 23.77 C ATOM 1929 O ARG A 126 -17.421 5.922 -14.834 1.00 23.91 O ATOM 1930 CB ARG A 126 -20.506 5.020 -15.042 1.00 25.52 C ATOM 1931 CG ARG A 126 -20.429 6.504 -15.370 1.00 26.44 C ATOM 1932 CD ARG A 126 -19.889 6.742 -16.772 1.00 27.30 C ATOM 1933 NE ARG A 126 -19.772 8.166 -17.079 1.00 28.16 N ATOM 1934 CZ ARG A 126 -19.092 8.644 -18.118 1.00 28.99 C ATOM 1935 NH1 ARG A 126 -18.468 7.815 -18.946 1.00 29.08 N ATOM 1936 NH2 ARG A 126 -19.033 9.952 -18.329 1.00 29.80 N ATOM 0 H ARG A 126 -20.185 2.705 -14.233 1.00 23.53 H new ATOM 0 HA ARG A 126 -18.837 4.279 -16.179 1.00 24.28 H new ATOM 0 HB2 ARG A 126 -21.214 4.544 -15.720 1.00 25.52 H new ATOM 0 HB3 ARG A 126 -20.901 4.900 -14.033 1.00 25.52 H new ATOM 0 HG2 ARG A 126 -21.420 6.948 -15.281 1.00 26.44 H new ATOM 0 HG3 ARG A 126 -19.789 7.005 -14.643 1.00 26.44 H new ATOM 0 HD2 ARG A 126 -18.912 6.269 -16.869 1.00 27.30 H new ATOM 0 HD3 ARG A 126 -20.547 6.267 -17.500 1.00 27.30 H new ATOM 0 HE ARG A 126 -20.238 8.831 -16.462 1.00 28.16 H new ATOM 0 HH11 ARG A 126 -18.509 6.808 -18.787 1.00 29.08 H new ATOM 0 HH12 ARG A 126 -17.948 8.185 -19.742 1.00 29.08 H new ATOM 0 HH21 ARG A 126 -19.509 10.593 -17.694 1.00 29.80 H new ATOM 0 HH22 ARG A 126 -18.511 10.317 -19.126 1.00 29.80 H new ATOM 1950 N GLU A 127 -17.988 4.677 -13.049 1.00 23.26 N ATOM 1951 CA GLU A 127 -17.021 5.315 -12.161 1.00 22.80 C ATOM 1952 C GLU A 127 -15.606 4.809 -12.428 1.00 21.68 C ATOM 1953 O GLU A 127 -14.639 5.562 -12.318 1.00 21.50 O ATOM 1954 CB GLU A 127 -17.398 5.062 -10.700 1.00 22.59 C ATOM 1955 CG GLU A 127 -18.667 5.779 -10.266 1.00 23.70 C ATOM 1956 CD GLU A 127 -19.067 5.448 -8.842 1.00 23.91 C ATOM 1957 OE1 GLU A 127 -18.447 5.997 -7.908 1.00 24.13 O ATOM 1958 OE2 GLU A 127 -20.003 4.640 -8.661 1.00 23.95 O ATOM 0 H GLU A 127 -18.547 3.946 -12.609 1.00 23.26 H new ATOM 0 HA GLU A 127 -17.042 6.387 -12.358 1.00 22.80 H new ATOM 0 HB2 GLU A 127 -17.526 3.990 -10.547 1.00 22.59 H new ATOM 0 HB3 GLU A 127 -16.574 5.380 -10.061 1.00 22.59 H new ATOM 0 HG2 GLU A 127 -18.521 6.855 -10.357 1.00 23.70 H new ATOM 0 HG3 GLU A 127 -19.480 5.510 -10.940 1.00 23.70 H new ATOM 1965 N ALA A 128 -15.493 3.532 -12.779 1.00 21.01 N ATOM 1966 CA ALA A 128 -14.195 2.928 -13.058 1.00 19.97 C ATOM 1967 C ALA A 128 -13.725 3.260 -14.470 1.00 20.40 C ATOM 1968 O ALA A 128 -12.532 3.433 -14.714 1.00 19.88 O ATOM 1969 CB ALA A 128 -14.265 1.421 -12.867 1.00 19.05 C ATOM 0 H ALA A 128 -16.284 2.896 -12.877 1.00 21.01 H new ATOM 0 HA ALA A 128 -13.471 3.342 -12.356 1.00 19.97 H new ATOM 0 HB1 ALA A 128 -13.290 0.982 -13.078 1.00 19.05 H new ATOM 0 HB2 ALA A 128 -14.549 1.197 -11.839 1.00 19.05 H new ATOM 0 HB3 ALA A 128 -15.007 1.002 -13.547 1.00 19.05 H new ATOM 1975 N ASP A 129 -14.675 3.349 -15.394 1.00 21.43 N ATOM 1976 CA ASP A 129 -14.368 3.657 -16.786 1.00 22.05 C ATOM 1977 C ASP A 129 -13.943 5.111 -16.946 1.00 22.75 C ATOM 1978 O ASP A 129 -14.769 6.022 -16.886 1.00 23.69 O ATOM 1979 CB ASP A 129 -15.582 3.362 -17.669 1.00 22.95 C ATOM 1980 CG ASP A 129 -15.434 3.922 -19.068 1.00 23.80 C ATOM 1981 OD1 ASP A 129 -14.694 3.319 -19.875 1.00 24.38 O ATOM 1982 OD2 ASP A 129 -16.059 4.962 -19.358 1.00 23.96 O ATOM 0 H ASP A 129 -15.668 3.212 -15.203 1.00 21.43 H new ATOM 0 HA ASP A 129 -13.536 3.026 -17.098 1.00 22.05 H new ATOM 0 HB2 ASP A 129 -15.731 2.284 -17.727 1.00 22.95 H new ATOM 0 HB3 ASP A 129 -16.474 3.783 -17.206 1.00 22.95 H new ATOM 1987 N PHE A 130 -12.645 5.322 -17.154 1.00 22.35 N ATOM 1988 CA PHE A 130 -12.107 6.667 -17.325 1.00 23.04 C ATOM 1989 C PHE A 130 -11.965 7.021 -18.803 1.00 24.02 C ATOM 1990 O PHE A 130 -12.284 8.136 -19.217 1.00 25.05 O ATOM 1991 CB PHE A 130 -10.749 6.793 -16.631 1.00 22.22 C ATOM 1992 CG PHE A 130 -10.812 6.617 -15.141 1.00 21.35 C ATOM 1993 CD1 PHE A 130 -11.456 7.553 -14.346 1.00 20.73 C ATOM 1994 CD2 PHE A 130 -10.232 5.515 -14.533 1.00 21.23 C ATOM 1995 CE1 PHE A 130 -11.518 7.394 -12.975 1.00 20.01 C ATOM 1996 CE2 PHE A 130 -10.292 5.349 -13.162 1.00 20.51 C ATOM 1997 CZ PHE A 130 -10.922 6.294 -12.381 1.00 19.90 C ATOM 0 H PHE A 130 -11.948 4.579 -17.208 1.00 22.35 H new ATOM 0 HA PHE A 130 -12.809 7.365 -16.869 1.00 23.04 H new ATOM 0 HB2 PHE A 130 -10.068 6.050 -17.047 1.00 22.22 H new ATOM 0 HB3 PHE A 130 -10.327 7.773 -16.854 1.00 22.22 H new ATOM 0 HD1 PHE A 130 -11.915 8.417 -14.804 1.00 20.73 H new ATOM 0 HD2 PHE A 130 -9.727 4.777 -15.138 1.00 21.23 H new ATOM 0 HE1 PHE A 130 -12.030 8.126 -12.368 1.00 20.01 H new ATOM 0 HE2 PHE A 130 -9.845 4.479 -12.703 1.00 20.51 H new ATOM 0 HZ PHE A 130 -10.951 6.177 -11.308 1.00 19.90 H new ATOM 2007 N ASP A 131 -11.485 6.066 -19.595 1.00 23.76 N ATOM 2008 CA ASP A 131 -11.295 6.280 -21.026 1.00 24.71 C ATOM 2009 C ASP A 131 -12.618 6.586 -21.723 1.00 25.78 C ATOM 2010 O ASP A 131 -12.699 7.502 -22.542 1.00 26.78 O ATOM 2011 CB ASP A 131 -10.634 5.056 -21.666 1.00 24.21 C ATOM 2012 CG ASP A 131 -11.168 3.750 -21.114 1.00 23.32 C ATOM 2013 OD1 ASP A 131 -12.346 3.431 -21.373 1.00 23.46 O ATOM 2014 OD2 ASP A 131 -10.404 3.042 -20.426 1.00 22.53 O ATOM 0 H ASP A 131 -11.221 5.136 -19.270 1.00 23.76 H new ATOM 0 HA ASP A 131 -10.641 7.143 -21.149 1.00 24.71 H new ATOM 0 HB2 ASP A 131 -10.794 5.083 -22.744 1.00 24.21 H new ATOM 0 HB3 ASP A 131 -9.557 5.102 -21.503 1.00 24.21 H new ATOM 2019 N GLY A 132 -13.652 5.818 -21.395 1.00 25.60 N ATOM 2020 CA GLY A 132 -14.953 6.029 -22.003 1.00 26.62 C ATOM 2021 C GLY A 132 -15.229 5.066 -23.140 1.00 26.95 C ATOM 2022 O GLY A 132 -15.184 5.448 -24.309 1.00 27.86 O ATOM 0 H GLY A 132 -13.613 5.054 -20.720 1.00 25.60 H new ATOM 0 HA2 GLY A 132 -15.727 5.919 -21.243 1.00 26.62 H new ATOM 0 HA3 GLY A 132 -15.014 7.052 -22.375 1.00 26.62 H new ATOM 2026 N ASP A 133 -15.514 3.814 -22.798 1.00 26.26 N ATOM 2027 CA ASP A 133 -15.800 2.793 -23.802 1.00 26.58 C ATOM 2028 C ASP A 133 -16.816 1.780 -23.281 1.00 26.27 C ATOM 2029 O ASP A 133 -17.152 0.815 -23.970 1.00 26.65 O ATOM 2030 CB ASP A 133 -14.511 2.079 -24.216 1.00 26.12 C ATOM 2031 CG ASP A 133 -13.925 1.239 -23.096 1.00 24.90 C ATOM 2032 OD1 ASP A 133 -14.120 1.600 -21.916 1.00 24.32 O ATOM 2033 OD2 ASP A 133 -13.269 0.222 -23.401 1.00 24.55 O ATOM 0 H ASP A 133 -15.553 3.481 -21.835 1.00 26.26 H new ATOM 0 HA ASP A 133 -16.228 3.288 -24.674 1.00 26.58 H new ATOM 0 HB2 ASP A 133 -14.713 1.441 -25.076 1.00 26.12 H new ATOM 0 HB3 ASP A 133 -13.776 2.819 -24.534 1.00 26.12 H new ATOM 2038 N GLY A 134 -17.301 2.007 -22.064 1.00 25.66 N ATOM 2039 CA GLY A 134 -18.274 1.106 -21.471 1.00 25.42 C ATOM 2040 C GLY A 134 -17.681 -0.248 -21.136 1.00 24.43 C ATOM 2041 O GLY A 134 -18.404 -1.239 -21.023 1.00 24.42 O ATOM 0 H GLY A 134 -17.038 2.799 -21.477 1.00 25.66 H new ATOM 0 HA2 GLY A 134 -18.677 1.557 -20.564 1.00 25.42 H new ATOM 0 HA3 GLY A 134 -19.109 0.973 -22.159 1.00 25.42 H new ATOM 2045 N MET A 135 -16.362 -0.290 -20.973 1.00 23.66 N ATOM 2046 CA MET A 135 -15.668 -1.531 -20.650 1.00 22.72 C ATOM 2047 C MET A 135 -14.739 -1.330 -19.457 1.00 21.56 C ATOM 2048 O MET A 135 -14.276 -0.218 -19.206 1.00 21.55 O ATOM 2049 CB MET A 135 -14.862 -2.018 -21.856 1.00 23.01 C ATOM 2050 CG MET A 135 -15.666 -2.073 -23.144 1.00 24.25 C ATOM 2051 SD MET A 135 -16.976 -3.311 -23.096 1.00 24.43 S ATOM 2052 CE MET A 135 -16.014 -4.821 -23.055 1.00 23.79 C ATOM 0 H MET A 135 -15.752 0.523 -21.060 1.00 23.66 H new ATOM 0 HA MET A 135 -16.414 -2.283 -20.393 1.00 22.72 H new ATOM 0 HB2 MET A 135 -14.006 -1.359 -22.000 1.00 23.01 H new ATOM 0 HB3 MET A 135 -14.467 -3.011 -21.641 1.00 23.01 H new ATOM 0 HG2 MET A 135 -16.104 -1.094 -23.336 1.00 24.25 H new ATOM 0 HG3 MET A 135 -14.996 -2.291 -23.976 1.00 24.25 H new ATOM 0 HE1 MET A 135 -16.573 -5.622 -23.540 1.00 23.79 H new ATOM 0 HE2 MET A 135 -15.071 -4.666 -23.580 1.00 23.79 H new ATOM 0 HE3 MET A 135 -15.812 -5.095 -22.020 1.00 23.79 H new ATOM 2062 N ILE A 136 -14.466 -2.410 -18.730 1.00 20.64 N ATOM 2063 CA ILE A 136 -13.589 -2.345 -17.567 1.00 19.48 C ATOM 2064 C ILE A 136 -12.316 -3.151 -17.789 1.00 18.80 C ATOM 2065 O ILE A 136 -12.357 -4.278 -18.272 1.00 18.85 O ATOM 2066 CB ILE A 136 -14.283 -2.870 -16.294 1.00 18.91 C ATOM 2067 CG1 ILE A 136 -15.542 -2.049 -15.988 1.00 19.65 C ATOM 2068 CG2 ILE A 136 -13.321 -2.845 -15.110 1.00 17.71 C ATOM 2069 CD1 ILE A 136 -15.271 -0.581 -15.730 1.00 19.77 C ATOM 0 H ILE A 136 -14.839 -3.339 -18.926 1.00 20.64 H new ATOM 0 HA ILE A 136 -13.341 -1.292 -17.431 1.00 19.48 H new ATOM 0 HB ILE A 136 -14.584 -3.903 -16.468 1.00 18.91 H new ATOM 0 HG12 ILE A 136 -16.234 -2.139 -16.825 1.00 19.65 H new ATOM 0 HG13 ILE A 136 -16.039 -2.475 -15.116 1.00 19.65 H new ATOM 0 HG21 ILE A 136 -13.829 -3.219 -14.221 1.00 17.71 H new ATOM 0 HG22 ILE A 136 -12.459 -3.476 -15.328 1.00 17.71 H new ATOM 0 HG23 ILE A 136 -12.987 -1.822 -14.934 1.00 17.71 H new ATOM 0 HD11 ILE A 136 -16.210 -0.069 -15.521 1.00 19.77 H new ATOM 0 HD12 ILE A 136 -14.604 -0.479 -14.874 1.00 19.77 H new ATOM 0 HD13 ILE A 136 -14.803 -0.137 -16.609 1.00 19.77 H new ATOM 2081 N ASN A 137 -11.190 -2.562 -17.414 1.00 18.27 N ATOM 2082 CA ASN A 137 -9.894 -3.210 -17.550 1.00 17.67 C ATOM 2083 C ASN A 137 -9.310 -3.470 -16.170 1.00 16.40 C ATOM 2084 O ASN A 137 -9.702 -2.810 -15.210 1.00 16.12 O ATOM 2085 CB ASN A 137 -8.936 -2.334 -18.362 1.00 18.25 C ATOM 2086 CG ASN A 137 -9.484 -1.975 -19.730 1.00 18.20 C ATOM 2087 OD1 ASN A 137 -10.695 -1.872 -19.921 1.00 18.03 O ATOM 2088 ND2 ASN A 137 -8.589 -1.778 -20.691 1.00 18.49 N ATOM 0 H ASN A 137 -11.149 -1.627 -17.009 1.00 18.27 H new ATOM 0 HA ASN A 137 -10.027 -4.156 -18.076 1.00 17.67 H new ATOM 0 HB2 ASN A 137 -8.729 -1.419 -17.807 1.00 18.25 H new ATOM 0 HB3 ASN A 137 -7.987 -2.856 -18.482 1.00 18.25 H new ATOM 0 HD21 ASN A 137 -8.897 -1.531 -21.632 1.00 18.49 H new ATOM 0 HD22 ASN A 137 -7.594 -1.874 -20.489 1.00 18.49 H new ATOM 2095 N TYR A 138 -8.404 -4.440 -16.058 1.00 15.73 N ATOM 2096 CA TYR A 138 -7.780 -4.753 -14.773 1.00 14.51 C ATOM 2097 C TYR A 138 -7.440 -3.476 -14.000 1.00 14.21 C ATOM 2098 O TYR A 138 -7.400 -3.473 -12.770 1.00 13.35 O ATOM 2099 CB TYR A 138 -6.517 -5.594 -14.984 1.00 14.11 C ATOM 2100 CG TYR A 138 -5.609 -5.643 -13.774 1.00 12.93 C ATOM 2101 CD1 TYR A 138 -6.043 -6.207 -12.581 1.00 12.24 C ATOM 2102 CD2 TYR A 138 -4.317 -5.134 -13.827 1.00 12.60 C ATOM 2103 CE1 TYR A 138 -5.217 -6.264 -11.477 1.00 11.18 C ATOM 2104 CE2 TYR A 138 -3.485 -5.186 -12.726 1.00 11.56 C ATOM 2105 CZ TYR A 138 -3.943 -5.711 -11.549 1.00 10.81 C ATOM 2106 OH TYR A 138 -3.113 -5.809 -10.457 1.00 9.80 O ATOM 0 H TYR A 138 -8.087 -5.019 -16.835 1.00 15.73 H new ATOM 0 HA TYR A 138 -8.494 -5.328 -14.184 1.00 14.51 H new ATOM 0 HB2 TYR A 138 -6.808 -6.610 -15.250 1.00 14.11 H new ATOM 0 HB3 TYR A 138 -5.960 -5.190 -15.829 1.00 14.11 H new ATOM 0 HD1 TYR A 138 -7.044 -6.608 -12.516 1.00 12.24 H new ATOM 0 HD2 TYR A 138 -3.958 -4.691 -14.744 1.00 12.60 H new ATOM 0 HE1 TYR A 138 -5.557 -6.734 -10.566 1.00 11.18 H new ATOM 0 HE2 TYR A 138 -2.474 -4.813 -12.794 1.00 11.56 H new ATOM 0 HH TYR A 138 -2.256 -5.377 -10.657 1.00 9.80 H new ATOM 2116 N GLU A 139 -7.224 -2.387 -14.732 1.00 15.05 N ATOM 2117 CA GLU A 139 -6.893 -1.108 -14.116 1.00 15.05 C ATOM 2118 C GLU A 139 -8.143 -0.462 -13.531 1.00 15.40 C ATOM 2119 O GLU A 139 -8.177 -0.113 -12.349 1.00 14.88 O ATOM 2120 CB GLU A 139 -6.242 -0.175 -15.138 1.00 16.02 C ATOM 2121 CG GLU A 139 -4.919 -0.693 -15.676 1.00 15.89 C ATOM 2122 CD GLU A 139 -4.258 0.281 -16.633 1.00 16.64 C ATOM 2123 OE1 GLU A 139 -4.533 0.198 -17.848 1.00 17.06 O ATOM 2124 OE2 GLU A 139 -3.464 1.124 -16.166 1.00 16.91 O ATOM 0 H GLU A 139 -7.272 -2.365 -15.751 1.00 15.05 H new ATOM 0 HA GLU A 139 -6.183 -1.287 -13.309 1.00 15.05 H new ATOM 0 HB2 GLU A 139 -6.930 -0.025 -15.970 1.00 16.02 H new ATOM 0 HB3 GLU A 139 -6.081 0.800 -14.677 1.00 16.02 H new ATOM 0 HG2 GLU A 139 -4.245 -0.892 -14.843 1.00 15.89 H new ATOM 0 HG3 GLU A 139 -5.085 -1.642 -16.186 1.00 15.89 H new ATOM 2131 N GLU A 140 -9.172 -0.304 -14.363 1.00 16.39 N ATOM 2132 CA GLU A 140 -10.424 0.289 -13.911 1.00 16.95 C ATOM 2133 C GLU A 140 -11.013 -0.548 -12.779 1.00 16.22 C ATOM 2134 O GLU A 140 -11.702 -0.033 -11.899 1.00 16.37 O ATOM 2135 CB GLU A 140 -11.433 0.391 -15.063 1.00 18.12 C ATOM 2136 CG GLU A 140 -10.809 0.706 -16.415 1.00 18.79 C ATOM 2137 CD GLU A 140 -11.791 1.365 -17.361 1.00 20.10 C ATOM 2138 OE1 GLU A 140 -12.966 0.941 -17.392 1.00 20.52 O ATOM 2139 OE2 GLU A 140 -11.384 2.304 -18.075 1.00 20.75 O ATOM 0 H GLU A 140 -9.161 -0.577 -15.346 1.00 16.39 H new ATOM 0 HA GLU A 140 -10.215 1.296 -13.550 1.00 16.95 H new ATOM 0 HB2 GLU A 140 -11.978 -0.550 -15.138 1.00 18.12 H new ATOM 0 HB3 GLU A 140 -12.163 1.164 -14.824 1.00 18.12 H new ATOM 0 HG2 GLU A 140 -9.950 1.361 -16.272 1.00 18.79 H new ATOM 0 HG3 GLU A 140 -10.437 -0.215 -16.864 1.00 18.79 H new ATOM 2146 N PHE A 141 -10.721 -1.846 -12.812 1.00 15.58 N ATOM 2147 CA PHE A 141 -11.206 -2.776 -11.799 1.00 14.98 C ATOM 2148 C PHE A 141 -10.562 -2.480 -10.449 1.00 14.05 C ATOM 2149 O PHE A 141 -11.253 -2.280 -9.453 1.00 14.12 O ATOM 2150 CB PHE A 141 -10.905 -4.220 -12.224 1.00 14.62 C ATOM 2151 CG PHE A 141 -11.346 -5.251 -11.222 1.00 14.16 C ATOM 2152 CD1 PHE A 141 -10.501 -5.650 -10.199 1.00 13.21 C ATOM 2153 CD2 PHE A 141 -12.603 -5.824 -11.307 1.00 14.81 C ATOM 2154 CE1 PHE A 141 -10.902 -6.602 -9.282 1.00 12.98 C ATOM 2155 CE2 PHE A 141 -13.011 -6.775 -10.392 1.00 14.61 C ATOM 2156 CZ PHE A 141 -12.164 -7.148 -9.363 1.00 13.73 C ATOM 0 H PHE A 141 -10.147 -2.279 -13.535 1.00 15.58 H new ATOM 0 HA PHE A 141 -12.285 -2.653 -11.701 1.00 14.98 H new ATOM 0 HB2 PHE A 141 -11.397 -4.419 -13.176 1.00 14.62 H new ATOM 0 HB3 PHE A 141 -9.833 -4.324 -12.391 1.00 14.62 H new ATOM 0 HD1 PHE A 141 -9.517 -5.212 -10.118 1.00 13.21 H new ATOM 0 HD2 PHE A 141 -13.273 -5.524 -12.099 1.00 14.81 H new ATOM 0 HE1 PHE A 141 -10.226 -6.918 -8.501 1.00 12.98 H new ATOM 0 HE2 PHE A 141 -13.988 -7.226 -10.479 1.00 14.61 H new ATOM 0 HZ PHE A 141 -12.492 -7.865 -8.625 1.00 13.73 H new ATOM 2166 N VAL A 142 -9.232 -2.466 -10.427 1.00 13.29 N ATOM 2167 CA VAL A 142 -8.480 -2.192 -9.208 1.00 12.40 C ATOM 2168 C VAL A 142 -8.972 -0.920 -8.521 1.00 12.96 C ATOM 2169 O VAL A 142 -9.039 -0.848 -7.292 1.00 12.60 O ATOM 2170 CB VAL A 142 -6.971 -2.058 -9.510 1.00 11.84 C ATOM 2171 CG1 VAL A 142 -6.225 -1.439 -8.334 1.00 11.29 C ATOM 2172 CG2 VAL A 142 -6.380 -3.415 -9.862 1.00 11.16 C ATOM 0 H VAL A 142 -8.650 -2.643 -11.246 1.00 13.29 H new ATOM 0 HA VAL A 142 -8.640 -3.036 -8.537 1.00 12.40 H new ATOM 0 HB VAL A 142 -6.856 -1.392 -10.365 1.00 11.84 H new ATOM 0 HG11 VAL A 142 -5.166 -1.358 -8.577 1.00 11.29 H new ATOM 0 HG12 VAL A 142 -6.627 -0.447 -8.130 1.00 11.29 H new ATOM 0 HG13 VAL A 142 -6.348 -2.069 -7.453 1.00 11.29 H new ATOM 0 HG21 VAL A 142 -5.316 -3.305 -10.072 1.00 11.16 H new ATOM 0 HG22 VAL A 142 -6.515 -4.099 -9.024 1.00 11.16 H new ATOM 0 HG23 VAL A 142 -6.884 -3.814 -10.742 1.00 11.16 H new ATOM 2182 N TRP A 143 -9.325 0.078 -9.322 1.00 13.99 N ATOM 2183 CA TRP A 143 -9.794 1.353 -8.794 1.00 14.75 C ATOM 2184 C TRP A 143 -11.159 1.236 -8.116 1.00 15.22 C ATOM 2185 O TRP A 143 -11.361 1.771 -7.027 1.00 15.27 O ATOM 2186 CB TRP A 143 -9.875 2.394 -9.913 1.00 15.86 C ATOM 2187 CG TRP A 143 -10.293 3.748 -9.432 1.00 16.76 C ATOM 2188 CD1 TRP A 143 -9.485 4.777 -9.040 1.00 16.94 C ATOM 2189 CD2 TRP A 143 -11.632 4.213 -9.287 1.00 17.71 C ATOM 2190 NE1 TRP A 143 -10.250 5.856 -8.659 1.00 17.96 N ATOM 2191 CE2 TRP A 143 -11.574 5.530 -8.803 1.00 18.43 C ATOM 2192 CE3 TRP A 143 -12.872 3.631 -9.525 1.00 18.11 C ATOM 2193 CZ2 TRP A 143 -12.723 6.278 -8.550 1.00 19.50 C ATOM 2194 CZ3 TRP A 143 -14.013 4.368 -9.275 1.00 19.15 C ATOM 2195 CH2 TRP A 143 -13.932 5.681 -8.791 1.00 19.83 C ATOM 0 H TRP A 143 -9.295 0.029 -10.340 1.00 13.99 H new ATOM 0 HA TRP A 143 -9.071 1.667 -8.041 1.00 14.75 H new ATOM 0 HB2 TRP A 143 -8.902 2.473 -10.398 1.00 15.86 H new ATOM 0 HB3 TRP A 143 -10.581 2.051 -10.669 1.00 15.86 H new ATOM 0 HD1 TRP A 143 -8.405 4.748 -9.030 1.00 16.94 H new ATOM 0 HE1 TRP A 143 -9.891 6.750 -8.325 1.00 17.96 H new ATOM 0 HE3 TRP A 143 -12.942 2.620 -9.899 1.00 18.11 H new ATOM 0 HZ2 TRP A 143 -12.662 7.290 -8.178 1.00 19.50 H new ATOM 0 HZ3 TRP A 143 -14.982 3.926 -9.455 1.00 19.15 H new ATOM 0 HH2 TRP A 143 -14.841 6.233 -8.604 1.00 19.83 H new ATOM 2206 N MET A 144 -12.091 0.536 -8.757 1.00 15.69 N ATOM 2207 CA MET A 144 -13.445 0.401 -8.217 1.00 16.33 C ATOM 2208 C MET A 144 -13.525 -0.618 -7.084 1.00 15.63 C ATOM 2209 O MET A 144 -14.362 -0.490 -6.190 1.00 16.10 O ATOM 2210 CB MET A 144 -14.432 0.032 -9.329 1.00 17.12 C ATOM 2211 CG MET A 144 -14.281 -1.386 -9.855 1.00 16.59 C ATOM 2212 SD MET A 144 -15.249 -1.664 -11.352 1.00 17.69 S ATOM 2213 CE MET A 144 -14.910 -3.391 -11.668 1.00 17.05 C ATOM 0 H MET A 144 -11.938 0.056 -9.644 1.00 15.69 H new ATOM 0 HA MET A 144 -13.716 1.370 -7.799 1.00 16.33 H new ATOM 0 HB2 MET A 144 -15.448 0.162 -8.955 1.00 17.12 H new ATOM 0 HB3 MET A 144 -14.306 0.729 -10.157 1.00 17.12 H new ATOM 0 HG2 MET A 144 -13.229 -1.585 -10.062 1.00 16.59 H new ATOM 0 HG3 MET A 144 -14.594 -2.092 -9.086 1.00 16.59 H new ATOM 0 HE1 MET A 144 -15.728 -3.823 -12.245 1.00 17.05 H new ATOM 0 HE2 MET A 144 -13.981 -3.482 -12.231 1.00 17.05 H new ATOM 0 HE3 MET A 144 -14.814 -3.922 -10.721 1.00 17.05 H new ATOM 2223 N ILE A 145 -12.660 -1.624 -7.115 1.00 14.62 N ATOM 2224 CA ILE A 145 -12.664 -2.648 -6.079 1.00 14.03 C ATOM 2225 C ILE A 145 -12.076 -2.114 -4.778 1.00 13.62 C ATOM 2226 O ILE A 145 -12.490 -2.511 -3.687 1.00 13.74 O ATOM 2227 CB ILE A 145 -11.886 -3.904 -6.510 1.00 13.14 C ATOM 2228 CG1 ILE A 145 -12.025 -4.986 -5.445 1.00 12.79 C ATOM 2229 CG2 ILE A 145 -10.421 -3.574 -6.749 1.00 12.26 C ATOM 2230 CD1 ILE A 145 -11.673 -6.375 -5.931 1.00 12.37 C ATOM 0 H ILE A 145 -11.953 -1.752 -7.839 1.00 14.62 H new ATOM 0 HA ILE A 145 -13.706 -2.924 -5.918 1.00 14.03 H new ATOM 0 HB ILE A 145 -12.304 -4.273 -7.447 1.00 13.14 H new ATOM 0 HG12 ILE A 145 -11.384 -4.734 -4.600 1.00 12.79 H new ATOM 0 HG13 ILE A 145 -13.051 -4.990 -5.077 1.00 12.79 H new ATOM 0 HG21 ILE A 145 -9.890 -4.476 -7.053 1.00 12.26 H new ATOM 0 HG22 ILE A 145 -10.341 -2.823 -7.535 1.00 12.26 H new ATOM 0 HG23 ILE A 145 -9.981 -3.186 -5.830 1.00 12.26 H new ATOM 0 HD11 ILE A 145 -11.797 -7.088 -5.116 1.00 12.37 H new ATOM 0 HD12 ILE A 145 -12.330 -6.649 -6.756 1.00 12.37 H new ATOM 0 HD13 ILE A 145 -10.638 -6.390 -6.272 1.00 12.37 H new ATOM 2242 N SER A 146 -11.113 -1.211 -4.901 1.00 13.30 N ATOM 2243 CA SER A 146 -10.467 -0.615 -3.737 1.00 13.04 C ATOM 2244 C SER A 146 -11.456 0.248 -2.963 1.00 14.17 C ATOM 2245 O SER A 146 -11.206 0.626 -1.818 1.00 14.26 O ATOM 2246 CB SER A 146 -9.263 0.225 -4.166 1.00 12.74 C ATOM 2247 OG SER A 146 -8.629 0.816 -3.045 1.00 12.48 O ATOM 0 H SER A 146 -10.760 -0.874 -5.797 1.00 13.30 H new ATOM 0 HA SER A 146 -10.120 -1.419 -3.088 1.00 13.04 H new ATOM 0 HB2 SER A 146 -8.551 -0.402 -4.702 1.00 12.74 H new ATOM 0 HB3 SER A 146 -9.586 1.003 -4.857 1.00 12.74 H new ATOM 0 HG SER A 146 -9.238 0.797 -2.277 1.00 12.48 H new ATOM 2253 N GLN A 147 -12.580 0.558 -3.601 1.00 15.13 N ATOM 2254 CA GLN A 147 -13.613 1.378 -2.984 1.00 16.31 C ATOM 2255 C GLN A 147 -14.474 0.545 -2.038 1.00 16.62 C ATOM 2256 O GLN A 147 -15.052 1.068 -1.084 1.00 17.39 O ATOM 2257 CB GLN A 147 -14.492 2.013 -4.062 1.00 17.27 C ATOM 2258 CG GLN A 147 -13.712 2.528 -5.261 1.00 17.07 C ATOM 2259 CD GLN A 147 -12.845 3.729 -4.930 1.00 17.24 C ATOM 2260 OE1 GLN A 147 -12.369 3.882 -3.805 1.00 17.61 O ATOM 2261 NE2 GLN A 147 -12.636 4.595 -5.915 1.00 17.09 N ATOM 0 H GLN A 147 -12.798 0.251 -4.549 1.00 15.13 H new ATOM 0 HA GLN A 147 -13.126 2.164 -2.407 1.00 16.31 H new ATOM 0 HB2 GLN A 147 -15.222 1.278 -4.403 1.00 17.27 H new ATOM 0 HB3 GLN A 147 -15.052 2.838 -3.622 1.00 17.27 H new ATOM 0 HG2 GLN A 147 -13.082 1.728 -5.649 1.00 17.07 H new ATOM 0 HG3 GLN A 147 -14.410 2.798 -6.054 1.00 17.07 H new ATOM 0 HE21 GLN A 147 -13.048 4.432 -6.834 1.00 17.09 H new ATOM 0 HE22 GLN A 147 -12.063 5.423 -5.753 1.00 17.09 H new ATOM 2270 N LYS A 148 -14.553 -0.753 -2.311 1.00 16.13 N ATOM 2271 CA LYS A 148 -15.342 -1.665 -1.490 1.00 16.53 C ATOM 2272 C LYS A 148 -14.776 -1.759 -0.077 1.00 16.32 C ATOM 2273 O LYS A 148 -13.869 -2.589 0.143 1.00 16.11 O ATOM 2274 CB LYS A 148 -15.381 -3.051 -2.132 1.00 16.16 C ATOM 2275 CG LYS A 148 -15.944 -3.052 -3.544 1.00 16.47 C ATOM 2276 CD LYS A 148 -15.861 -4.432 -4.175 1.00 16.26 C ATOM 2277 CE LYS A 148 -16.357 -4.418 -5.612 1.00 16.41 C ATOM 2278 NZ LYS A 148 -16.220 -5.751 -6.259 1.00 16.72 N ATOM 2279 OXT LYS A 148 -15.246 -1.003 0.799 1.00 16.50 O ATOM 0 H LYS A 148 -14.079 -1.198 -3.097 1.00 16.13 H new ATOM 0 HA LYS A 148 -16.357 -1.272 -1.425 1.00 16.53 H new ATOM 0 HB2 LYS A 148 -14.371 -3.461 -2.152 1.00 16.16 H new ATOM 0 HB3 LYS A 148 -15.982 -3.714 -1.510 1.00 16.16 H new ATOM 0 HG2 LYS A 148 -16.983 -2.722 -3.523 1.00 16.47 H new ATOM 0 HG3 LYS A 148 -15.395 -2.337 -4.156 1.00 16.47 H new ATOM 0 HD2 LYS A 148 -14.830 -4.784 -4.148 1.00 16.26 H new ATOM 0 HD3 LYS A 148 -16.454 -5.136 -3.591 1.00 16.26 H new ATOM 0 HE2 LYS A 148 -17.402 -4.110 -5.632 1.00 16.41 H new ATOM 0 HE3 LYS A 148 -15.796 -3.678 -6.183 1.00 16.41 H new ATOM 0 HZ1 LYS A 148 -16.569 -5.700 -7.237 1.00 16.72 H new ATOM 0 HZ2 LYS A 148 -15.219 -6.034 -6.263 1.00 16.72 H new ATOM 0 HZ3 LYS A 148 -16.776 -6.453 -5.730 1.00 16.72 H new