USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 958 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 45 TYR OH : rot 160:sc= -0.681 USER MOD Set 1.2: A 51 ASN : amide:sc= -3.41 K(o=-4.1,f=-7.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 130:sc= 0.0859 USER MOD Single : A 3 GLN : amide:sc= -0.698 X(o=-0.7,f=-0.36) USER MOD Single : A 4 ASN : amide:sc= -1.42 K(o=-1.4,f=-0.43) USER MOD Single : A 6 GLN : amide:sc= -1.3 K(o=-1.3,f=-6.2!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 168:sc= -2.99! (180deg=-3.28!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc=-0.00858 X(o=-0.0086,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.0955 X(o=-0.096,f=-0.19) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -2.26 K(o=-2.3,f=-1.1) USER MOD Single : A 37 GLN : amide:sc= -0.0518 K(o=-0.052,f=-1) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -62:sc= 0.0124 USER MOD Single : A 46 THR OG1 : rot -54:sc= 1.31 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -160:sc= -0.305 USER MOD Single : A 53 CYS SG : rot 156:sc= 0.0459 USER MOD Single : A 57 THR OG1 : rot 152:sc= 0.899 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -1.75 K(o=-1.8,f=-0.24) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -83:sc= 0.713 USER MOD Single : A 77 LYS NZ :NH3+ -145:sc= -0.0908 (180deg=-2.17!) USER MOD Single : A 83 MET CE :methyl -150:sc= -5.41! (180deg=-8.9!) USER MOD Single : A 85 ASN : amide:sc= -0.527 X(o=-0.53,f=-0.89) USER MOD Single : A 86 ASN : amide:sc= -0.188 K(o=-0.19,f=-2.8!) USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0084 X(o=-0.0084,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -126:sc= 0.167 (180deg=-3.33!) USER MOD Single : A 115 TYR OH : rot 42:sc= 0.0411 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -0.786 K(o=-0.79,f=-6.4!) USER MOD Single : A 119 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0734) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.416 0.955 -1.789 1.00 24.44 N ATOM 2 CA MET A 1 1.385 0.037 -1.200 1.00 0.11 C ATOM 3 C MET A 1 2.558 0.801 -0.594 1.00 22.43 C ATOM 4 O MET A 1 2.864 0.651 0.589 1.00 35.14 O ATOM 5 CB MET A 1 1.893 -0.948 -2.255 1.00 11.04 C ATOM 6 CG MET A 1 0.860 -1.984 -2.666 1.00 34.33 C ATOM 7 SD MET A 1 1.585 -3.608 -2.962 1.00 74.41 S ATOM 8 CE MET A 1 0.725 -4.095 -4.456 1.00 61.23 C ATOM 0 H1 MET A 1 -0.373 0.413 -2.195 1.00 24.44 H new ATOM 0 H2 MET A 1 0.054 1.596 -1.054 1.00 24.44 H new ATOM 0 H3 MET A 1 0.876 1.511 -2.538 1.00 24.44 H new ATOM 0 HA MET A 1 0.886 -0.518 -0.406 1.00 0.11 H new ATOM 0 HB2 MET A 1 2.209 -0.392 -3.138 1.00 11.04 H new ATOM 0 HB3 MET A 1 2.775 -1.459 -1.868 1.00 11.04 H new ATOM 0 HG2 MET A 1 0.102 -2.065 -1.886 1.00 34.33 H new ATOM 0 HG3 MET A 1 0.353 -1.647 -3.570 1.00 34.33 H new ATOM 0 HE1 MET A 1 1.066 -5.083 -4.767 1.00 61.23 H new ATOM 0 HE2 MET A 1 -0.348 -4.125 -4.265 1.00 61.23 H new ATOM 0 HE3 MET A 1 0.933 -3.374 -5.247 1.00 61.23 H new ATOM 18 N SER A 2 3.212 1.619 -1.412 1.00 23.30 N ATOM 19 CA SER A 2 4.355 2.402 -0.957 1.00 13.41 C ATOM 20 C SER A 2 3.948 3.358 0.161 1.00 34.51 C ATOM 21 O SER A 2 2.843 3.268 0.696 1.00 21.53 O ATOM 22 CB SER A 2 4.956 3.190 -2.122 1.00 44.22 C ATOM 23 OG SER A 2 4.576 2.630 -3.367 1.00 14.21 O ATOM 0 H SER A 2 2.970 1.757 -2.393 1.00 23.30 H new ATOM 0 HA SER A 2 5.105 1.713 -0.568 1.00 13.41 H new ATOM 0 HB2 SER A 2 4.627 4.228 -2.071 1.00 44.22 H new ATOM 0 HB3 SER A 2 6.043 3.196 -2.039 1.00 44.22 H new ATOM 0 HG SER A 2 4.227 3.336 -3.950 1.00 14.21 H new ATOM 29 N GLN A 3 4.848 4.271 0.508 1.00 45.25 N ATOM 30 CA GLN A 3 4.584 5.243 1.562 1.00 32.31 C ATOM 31 C GLN A 3 4.915 6.656 1.096 1.00 42.44 C ATOM 32 O GLN A 3 6.076 6.985 0.856 1.00 41.02 O ATOM 33 CB GLN A 3 5.395 4.903 2.813 1.00 23.54 C ATOM 34 CG GLN A 3 5.256 5.929 3.926 1.00 24.22 C ATOM 35 CD GLN A 3 3.816 6.333 4.171 1.00 50.23 C ATOM 36 OE1 GLN A 3 2.926 5.486 4.250 1.00 21.20 O ATOM 37 NE2 GLN A 3 3.578 7.634 4.292 1.00 5.00 N ATOM 0 H GLN A 3 5.767 4.358 0.075 1.00 45.25 H new ATOM 0 HA GLN A 3 3.522 5.200 1.803 1.00 32.31 H new ATOM 0 HB2 GLN A 3 5.079 3.929 3.187 1.00 23.54 H new ATOM 0 HB3 GLN A 3 6.447 4.815 2.541 1.00 23.54 H new ATOM 0 HG2 GLN A 3 5.676 5.521 4.845 1.00 24.22 H new ATOM 0 HG3 GLN A 3 5.840 6.814 3.674 1.00 24.22 H new ATOM 0 HE21 GLN A 3 4.346 8.302 4.220 1.00 5.00 H new ATOM 0 HE22 GLN A 3 2.628 7.965 4.457 1.00 5.00 H new ATOM 46 N ASN A 4 3.887 7.489 0.969 1.00 73.32 N ATOM 47 CA ASN A 4 4.069 8.868 0.530 1.00 71.52 C ATOM 48 C ASN A 4 4.731 9.703 1.621 1.00 15.15 C ATOM 49 O ASN A 4 4.056 10.408 2.372 1.00 41.51 O ATOM 50 CB ASN A 4 2.723 9.484 0.145 1.00 14.43 C ATOM 51 CG ASN A 4 1.647 9.215 1.179 1.00 34.34 C ATOM 52 OD1 ASN A 4 1.439 10.009 2.097 1.00 60.20 O ATOM 53 ND2 ASN A 4 0.956 8.089 1.035 1.00 4.52 N ATOM 0 H ASN A 4 2.919 7.233 1.164 1.00 73.32 H new ATOM 0 HA ASN A 4 4.721 8.862 -0.344 1.00 71.52 H new ATOM 0 HB2 ASN A 4 2.842 10.560 0.020 1.00 14.43 H new ATOM 0 HB3 ASN A 4 2.406 9.084 -0.818 1.00 14.43 H new ATOM 0 HD21 ASN A 4 0.220 7.854 1.700 1.00 4.52 H new ATOM 0 HD22 ASN A 4 1.162 7.460 0.259 1.00 4.52 H new ATOM 60 N ARG A 5 6.054 9.619 1.703 1.00 23.42 N ATOM 61 CA ARG A 5 6.807 10.366 2.703 1.00 43.10 C ATOM 62 C ARG A 5 8.309 10.198 2.490 1.00 10.32 C ATOM 63 O ARG A 5 8.987 11.119 2.035 1.00 60.33 O ATOM 64 CB ARG A 5 6.426 9.904 4.110 1.00 20.35 C ATOM 65 CG ARG A 5 7.028 10.756 5.216 1.00 62.04 C ATOM 66 CD ARG A 5 7.139 9.981 6.519 1.00 21.22 C ATOM 67 NE ARG A 5 8.497 10.005 7.056 1.00 30.43 N ATOM 68 CZ ARG A 5 8.807 9.614 8.287 1.00 23.23 C ATOM 69 NH1 ARG A 5 7.861 9.171 9.104 1.00 4.11 N ATOM 70 NH2 ARG A 5 10.066 9.665 8.703 1.00 2.05 N ATOM 0 H ARG A 5 6.627 9.041 1.089 1.00 23.42 H new ATOM 0 HA ARG A 5 6.558 11.422 2.595 1.00 43.10 H new ATOM 0 HB2 ARG A 5 5.340 9.915 4.205 1.00 20.35 H new ATOM 0 HB3 ARG A 5 6.747 8.871 4.243 1.00 20.35 H new ATOM 0 HG2 ARG A 5 8.016 11.103 4.913 1.00 62.04 H new ATOM 0 HG3 ARG A 5 6.412 11.642 5.370 1.00 62.04 H new ATOM 0 HD2 ARG A 5 6.452 10.404 7.252 1.00 21.22 H new ATOM 0 HD3 ARG A 5 6.833 8.948 6.354 1.00 21.22 H new ATOM 0 HE ARG A 5 9.248 10.340 6.453 1.00 30.43 H new ATOM 0 HH11 ARG A 5 6.892 9.130 8.788 1.00 4.11 H new ATOM 0 HH12 ARG A 5 8.102 8.871 10.049 1.00 4.11 H new ATOM 0 HH21 ARG A 5 10.796 10.005 8.077 1.00 2.05 H new ATOM 0 HH22 ARG A 5 10.303 9.365 9.648 1.00 2.05 H new ATOM 84 N GLN A 6 8.820 9.018 2.824 1.00 64.32 N ATOM 85 CA GLN A 6 10.242 8.731 2.670 1.00 33.42 C ATOM 86 C GLN A 6 10.454 7.375 2.004 1.00 43.43 C ATOM 87 O GLN A 6 9.599 6.492 2.082 1.00 3.11 O ATOM 88 CB GLN A 6 10.939 8.758 4.031 1.00 21.13 C ATOM 89 CG GLN A 6 10.902 7.425 4.761 1.00 74.20 C ATOM 90 CD GLN A 6 9.490 6.911 4.965 1.00 21.24 C ATOM 91 OE1 GLN A 6 8.602 7.652 5.389 1.00 65.13 O ATOM 92 NE2 GLN A 6 9.275 5.635 4.665 1.00 51.42 N ATOM 0 H GLN A 6 8.272 8.246 3.203 1.00 64.32 H new ATOM 0 HA GLN A 6 10.676 9.501 2.032 1.00 33.42 H new ATOM 0 HB2 GLN A 6 11.978 9.058 3.892 1.00 21.13 H new ATOM 0 HB3 GLN A 6 10.469 9.518 4.655 1.00 21.13 H new ATOM 0 HG2 GLN A 6 11.474 6.689 4.196 1.00 74.20 H new ATOM 0 HG3 GLN A 6 11.389 7.532 5.730 1.00 74.20 H new ATOM 0 HE21 GLN A 6 10.040 5.057 4.316 1.00 51.42 H new ATOM 0 HE22 GLN A 6 8.345 5.233 4.783 1.00 51.42 H new ATOM 101 N LEU A 7 11.599 7.217 1.348 1.00 53.41 N ATOM 102 CA LEU A 7 11.924 5.969 0.667 1.00 41.02 C ATOM 103 C LEU A 7 13.092 5.265 1.350 1.00 70.53 C ATOM 104 O LEU A 7 14.198 5.801 1.423 1.00 42.44 O ATOM 105 CB LEU A 7 12.264 6.239 -0.800 1.00 51.01 C ATOM 106 CG LEU A 7 11.096 6.162 -1.785 1.00 3.55 C ATOM 107 CD1 LEU A 7 10.848 4.723 -2.208 1.00 24.15 C ATOM 108 CD2 LEU A 7 9.841 6.764 -1.170 1.00 75.34 C ATOM 0 H LEU A 7 12.317 7.937 1.274 1.00 53.41 H new ATOM 0 HA LEU A 7 11.051 5.318 0.717 1.00 41.02 H new ATOM 0 HB2 LEU A 7 12.709 7.231 -0.872 1.00 51.01 H new ATOM 0 HB3 LEU A 7 13.025 5.524 -1.113 1.00 51.01 H new ATOM 0 HG LEU A 7 11.355 6.739 -2.673 1.00 3.55 H new ATOM 0 HD11 LEU A 7 10.014 4.688 -2.909 1.00 24.15 H new ATOM 0 HD12 LEU A 7 11.742 4.326 -2.689 1.00 24.15 H new ATOM 0 HD13 LEU A 7 10.610 4.122 -1.331 1.00 24.15 H new ATOM 0 HD21 LEU A 7 9.020 6.701 -1.884 1.00 75.34 H new ATOM 0 HD22 LEU A 7 9.579 6.214 -0.266 1.00 75.34 H new ATOM 0 HD23 LEU A 7 10.024 7.809 -0.919 1.00 75.34 H new ATOM 120 N LEU A 8 12.840 4.059 1.847 1.00 74.20 N ATOM 121 CA LEU A 8 13.871 3.279 2.522 1.00 33.44 C ATOM 122 C LEU A 8 15.132 3.189 1.670 1.00 42.44 C ATOM 123 O LEU A 8 16.173 3.744 2.023 1.00 41.11 O ATOM 124 CB LEU A 8 13.352 1.874 2.835 1.00 63.21 C ATOM 125 CG LEU A 8 14.043 1.145 3.988 1.00 72.40 C ATOM 126 CD1 LEU A 8 15.494 0.849 3.640 1.00 14.42 C ATOM 127 CD2 LEU A 8 13.955 1.965 5.267 1.00 43.14 C ATOM 0 H LEU A 8 11.930 3.600 1.795 1.00 74.20 H new ATOM 0 HA LEU A 8 14.121 3.784 3.455 1.00 33.44 H new ATOM 0 HB2 LEU A 8 12.288 1.943 3.061 1.00 63.21 H new ATOM 0 HB3 LEU A 8 13.448 1.264 1.937 1.00 63.21 H new ATOM 0 HG LEU A 8 13.530 0.197 4.152 1.00 72.40 H new ATOM 0 HD11 LEU A 8 15.969 0.330 4.472 1.00 14.42 H new ATOM 0 HD12 LEU A 8 15.534 0.221 2.750 1.00 14.42 H new ATOM 0 HD13 LEU A 8 16.020 1.784 3.448 1.00 14.42 H new ATOM 0 HD21 LEU A 8 14.452 1.431 6.077 1.00 43.14 H new ATOM 0 HD22 LEU A 8 14.442 2.929 5.116 1.00 43.14 H new ATOM 0 HD23 LEU A 8 12.908 2.124 5.526 1.00 43.14 H new ATOM 139 N TYR A 9 15.031 2.490 0.545 1.00 63.11 N ATOM 140 CA TYR A 9 16.164 2.328 -0.359 1.00 1.03 C ATOM 141 C TYR A 9 15.758 1.552 -1.608 1.00 50.20 C ATOM 142 O TYR A 9 16.070 0.372 -1.766 1.00 61.20 O ATOM 143 CB TYR A 9 17.311 1.608 0.352 1.00 63.21 C ATOM 144 CG TYR A 9 18.680 1.993 -0.163 1.00 73.13 C ATOM 145 CD1 TYR A 9 19.155 3.291 -0.026 1.00 51.50 C ATOM 146 CD2 TYR A 9 19.497 1.059 -0.788 1.00 52.11 C ATOM 147 CE1 TYR A 9 20.404 3.648 -0.496 1.00 1.32 C ATOM 148 CE2 TYR A 9 20.748 1.407 -1.260 1.00 31.44 C ATOM 149 CZ TYR A 9 21.197 2.702 -1.111 1.00 50.23 C ATOM 150 OH TYR A 9 22.442 3.053 -1.581 1.00 21.31 O ATOM 0 H TYR A 9 14.176 2.026 0.237 1.00 63.11 H new ATOM 0 HA TYR A 9 16.499 3.320 -0.663 1.00 1.03 H new ATOM 0 HB2 TYR A 9 17.259 1.825 1.419 1.00 63.21 H new ATOM 0 HB3 TYR A 9 17.179 0.532 0.239 1.00 63.21 H new ATOM 0 HD1 TYR A 9 18.537 4.034 0.456 1.00 51.50 H new ATOM 0 HD2 TYR A 9 19.148 0.044 -0.907 1.00 52.11 H new ATOM 0 HE1 TYR A 9 20.757 4.662 -0.382 1.00 1.32 H new ATOM 0 HE2 TYR A 9 21.371 0.669 -1.743 1.00 31.44 H new ATOM 0 HH TYR A 9 22.871 2.271 -1.986 1.00 21.31 H new ATOM 160 N PRO A 10 15.045 2.231 -2.519 1.00 13.02 N ATOM 161 CA PRO A 10 14.581 1.627 -3.771 1.00 53.13 C ATOM 162 C PRO A 10 15.726 1.342 -4.737 1.00 1.42 C ATOM 163 O PRO A 10 16.432 2.256 -5.164 1.00 2.14 O ATOM 164 CB PRO A 10 13.644 2.689 -4.352 1.00 13.44 C ATOM 165 CG PRO A 10 14.121 3.975 -3.769 1.00 21.43 C ATOM 166 CD PRO A 10 14.637 3.641 -2.396 1.00 73.42 C ATOM 0 HA PRO A 10 14.103 0.662 -3.604 1.00 53.13 H new ATOM 0 HB2 PRO A 10 13.692 2.706 -5.441 1.00 13.44 H new ATOM 0 HB3 PRO A 10 12.607 2.492 -4.081 1.00 13.44 H new ATOM 0 HG2 PRO A 10 14.906 4.415 -4.384 1.00 21.43 H new ATOM 0 HG3 PRO A 10 13.312 4.703 -3.715 1.00 21.43 H new ATOM 0 HD2 PRO A 10 15.475 4.279 -2.115 1.00 73.42 H new ATOM 0 HD3 PRO A 10 13.868 3.772 -1.635 1.00 73.42 H new ATOM 174 N ARG A 11 15.904 0.070 -5.077 1.00 43.25 N ATOM 175 CA ARG A 11 16.965 -0.334 -5.992 1.00 71.34 C ATOM 176 C ARG A 11 16.955 -1.846 -6.202 1.00 1.31 C ATOM 177 O ARG A 11 17.203 -2.330 -7.306 1.00 33.14 O ATOM 178 CB ARG A 11 18.327 0.108 -5.455 1.00 63.01 C ATOM 179 CG ARG A 11 18.519 -0.175 -3.974 1.00 50.11 C ATOM 180 CD ARG A 11 19.808 -0.938 -3.715 1.00 63.41 C ATOM 181 NE ARG A 11 19.692 -1.837 -2.569 1.00 51.54 N ATOM 182 CZ ARG A 11 20.581 -2.781 -2.282 1.00 41.35 C ATOM 183 NH1 ARG A 11 21.647 -2.949 -3.053 1.00 53.24 N ATOM 184 NH2 ARG A 11 20.406 -3.559 -1.222 1.00 54.21 N ATOM 0 H ARG A 11 15.328 -0.698 -4.733 1.00 43.25 H new ATOM 0 HA ARG A 11 16.786 0.150 -6.952 1.00 71.34 H new ATOM 0 HB2 ARG A 11 19.111 -0.398 -6.018 1.00 63.01 H new ATOM 0 HB3 ARG A 11 18.448 1.177 -5.631 1.00 63.01 H new ATOM 0 HG2 ARG A 11 18.534 0.765 -3.422 1.00 50.11 H new ATOM 0 HG3 ARG A 11 17.673 -0.751 -3.600 1.00 50.11 H new ATOM 0 HD2 ARG A 11 20.073 -1.514 -4.602 1.00 63.41 H new ATOM 0 HD3 ARG A 11 20.619 -0.231 -3.540 1.00 63.41 H new ATOM 0 HE ARG A 11 18.884 -1.734 -1.956 1.00 51.54 H new ATOM 0 HH11 ARG A 11 21.786 -2.352 -3.869 1.00 53.24 H new ATOM 0 HH12 ARG A 11 22.328 -3.675 -2.830 1.00 53.24 H new ATOM 0 HH21 ARG A 11 19.588 -3.433 -0.626 1.00 54.21 H new ATOM 0 HH22 ARG A 11 21.090 -4.284 -1.003 1.00 54.21 H new ATOM 198 N GLU A 12 16.668 -2.584 -5.134 1.00 72.24 N ATOM 199 CA GLU A 12 16.627 -4.040 -5.202 1.00 64.20 C ATOM 200 C GLU A 12 15.686 -4.508 -6.308 1.00 53.41 C ATOM 201 O GLU A 12 15.874 -5.578 -6.886 1.00 13.33 O ATOM 202 CB GLU A 12 16.183 -4.623 -3.859 1.00 23.21 C ATOM 203 CG GLU A 12 16.961 -5.861 -3.446 1.00 25.25 C ATOM 204 CD GLU A 12 16.948 -6.085 -1.946 1.00 33.11 C ATOM 205 OE1 GLU A 12 15.983 -5.643 -1.288 1.00 73.32 O ATOM 206 OE2 GLU A 12 17.903 -6.703 -1.430 1.00 72.12 O ATOM 0 H GLU A 12 16.461 -2.198 -4.213 1.00 72.24 H new ATOM 0 HA GLU A 12 17.632 -4.395 -5.430 1.00 64.20 H new ATOM 0 HB2 GLU A 12 16.293 -3.861 -3.087 1.00 23.21 H new ATOM 0 HB3 GLU A 12 15.123 -4.871 -3.913 1.00 23.21 H new ATOM 0 HG2 GLU A 12 16.538 -6.734 -3.944 1.00 25.25 H new ATOM 0 HG3 GLU A 12 17.992 -5.768 -3.787 1.00 25.25 H new ATOM 213 N GLU A 13 14.672 -3.697 -6.596 1.00 41.01 N ATOM 214 CA GLU A 13 13.700 -4.028 -7.631 1.00 63.35 C ATOM 215 C GLU A 13 14.183 -3.560 -9.001 1.00 44.40 C ATOM 216 O GLU A 13 13.967 -4.230 -10.010 1.00 24.41 O ATOM 217 CB GLU A 13 12.345 -3.394 -7.312 1.00 1.11 C ATOM 218 CG GLU A 13 12.405 -1.886 -7.136 1.00 42.24 C ATOM 219 CD GLU A 13 11.788 -1.138 -8.302 1.00 50.21 C ATOM 220 OE1 GLU A 13 10.742 -1.592 -8.811 1.00 34.25 O ATOM 221 OE2 GLU A 13 12.351 -0.099 -8.706 1.00 13.11 O ATOM 0 H GLU A 13 14.503 -2.807 -6.127 1.00 41.01 H new ATOM 0 HA GLU A 13 13.589 -5.112 -7.655 1.00 63.35 H new ATOM 0 HB2 GLU A 13 11.645 -3.630 -8.114 1.00 1.11 H new ATOM 0 HB3 GLU A 13 11.949 -3.842 -6.401 1.00 1.11 H new ATOM 0 HG2 GLU A 13 11.887 -1.610 -6.217 1.00 42.24 H new ATOM 0 HG3 GLU A 13 13.444 -1.578 -7.021 1.00 42.24 H new ATOM 228 N MET A 14 14.838 -2.403 -9.027 1.00 74.12 N ATOM 229 CA MET A 14 15.352 -1.844 -10.272 1.00 71.42 C ATOM 230 C MET A 14 16.164 -2.883 -11.040 1.00 32.14 C ATOM 231 O MET A 14 15.999 -3.045 -12.249 1.00 13.02 O ATOM 232 CB MET A 14 16.216 -0.615 -9.986 1.00 12.31 C ATOM 233 CG MET A 14 15.493 0.703 -10.217 1.00 64.43 C ATOM 234 SD MET A 14 15.761 1.885 -8.883 1.00 0.32 S ATOM 235 CE MET A 14 14.186 2.738 -8.865 1.00 41.24 C ATOM 0 H MET A 14 15.025 -1.835 -8.201 1.00 74.12 H new ATOM 0 HA MET A 14 14.502 -1.546 -10.886 1.00 71.42 H new ATOM 0 HB2 MET A 14 16.560 -0.655 -8.952 1.00 12.31 H new ATOM 0 HB3 MET A 14 17.103 -0.649 -10.619 1.00 12.31 H new ATOM 0 HG2 MET A 14 15.832 1.139 -11.157 1.00 64.43 H new ATOM 0 HG3 MET A 14 14.425 0.514 -10.320 1.00 64.43 H new ATOM 0 HE1 MET A 14 14.113 3.348 -7.965 1.00 41.24 H new ATOM 0 HE2 MET A 14 14.108 3.377 -9.744 1.00 41.24 H new ATOM 0 HE3 MET A 14 13.377 2.008 -8.875 1.00 41.24 H new ATOM 245 N VAL A 15 17.042 -3.585 -10.329 1.00 55.43 N ATOM 246 CA VAL A 15 17.879 -4.608 -10.944 1.00 35.13 C ATOM 247 C VAL A 15 17.033 -5.751 -11.496 1.00 4.51 C ATOM 248 O VAL A 15 17.408 -6.397 -12.474 1.00 52.45 O ATOM 249 CB VAL A 15 18.898 -5.177 -9.939 1.00 32.31 C ATOM 250 CG1 VAL A 15 19.750 -4.062 -9.352 1.00 54.14 C ATOM 251 CG2 VAL A 15 18.186 -5.950 -8.839 1.00 21.50 C ATOM 0 H VAL A 15 17.192 -3.464 -9.327 1.00 55.43 H new ATOM 0 HA VAL A 15 18.416 -4.129 -11.763 1.00 35.13 H new ATOM 0 HB VAL A 15 19.558 -5.865 -10.468 1.00 32.31 H new ATOM 0 HG11 VAL A 15 20.464 -4.484 -8.644 1.00 54.14 H new ATOM 0 HG12 VAL A 15 20.289 -3.556 -10.153 1.00 54.14 H new ATOM 0 HG13 VAL A 15 19.109 -3.346 -8.838 1.00 54.14 H new ATOM 0 HG21 VAL A 15 18.921 -6.345 -8.138 1.00 21.50 H new ATOM 0 HG22 VAL A 15 17.502 -5.285 -8.312 1.00 21.50 H new ATOM 0 HG23 VAL A 15 17.624 -6.774 -9.279 1.00 21.50 H new ATOM 261 N SER A 16 15.891 -5.994 -10.862 1.00 32.11 N ATOM 262 CA SER A 16 14.993 -7.061 -11.288 1.00 31.34 C ATOM 263 C SER A 16 14.545 -6.851 -12.731 1.00 23.31 C ATOM 264 O SER A 16 14.614 -7.765 -13.554 1.00 63.11 O ATOM 265 CB SER A 16 13.772 -7.127 -10.368 1.00 23.04 C ATOM 266 OG SER A 16 13.320 -8.461 -10.215 1.00 73.23 O ATOM 0 H SER A 16 15.565 -5.467 -10.052 1.00 32.11 H new ATOM 0 HA SER A 16 15.536 -8.004 -11.228 1.00 31.34 H new ATOM 0 HB2 SER A 16 14.025 -6.711 -9.393 1.00 23.04 H new ATOM 0 HB3 SER A 16 12.970 -6.513 -10.778 1.00 23.04 H new ATOM 0 HG SER A 16 12.540 -8.476 -9.621 1.00 73.23 H new ATOM 272 N LEU A 17 14.086 -5.641 -13.031 1.00 23.40 N ATOM 273 CA LEU A 17 13.627 -5.309 -14.375 1.00 74.10 C ATOM 274 C LEU A 17 14.736 -5.526 -15.399 1.00 71.32 C ATOM 275 O LEU A 17 14.626 -6.382 -16.277 1.00 72.12 O ATOM 276 CB LEU A 17 13.146 -3.858 -14.427 1.00 2.32 C ATOM 277 CG LEU A 17 12.041 -3.481 -13.440 1.00 35.11 C ATOM 278 CD1 LEU A 17 11.187 -4.695 -13.105 1.00 45.24 C ATOM 279 CD2 LEU A 17 12.637 -2.881 -12.175 1.00 15.21 C ATOM 0 H LEU A 17 14.022 -4.874 -12.362 1.00 23.40 H new ATOM 0 HA LEU A 17 12.796 -5.970 -14.622 1.00 74.10 H new ATOM 0 HB2 LEU A 17 14.002 -3.206 -14.250 1.00 2.32 H new ATOM 0 HB3 LEU A 17 12.790 -3.650 -15.436 1.00 2.32 H new ATOM 0 HG LEU A 17 11.403 -2.731 -13.908 1.00 35.11 H new ATOM 0 HD11 LEU A 17 10.406 -4.407 -12.401 1.00 45.24 H new ATOM 0 HD12 LEU A 17 10.730 -5.081 -14.016 1.00 45.24 H new ATOM 0 HD13 LEU A 17 11.812 -5.467 -12.657 1.00 45.24 H new ATOM 0 HD21 LEU A 17 11.836 -2.619 -11.484 1.00 15.21 H new ATOM 0 HD22 LEU A 17 13.299 -3.608 -11.704 1.00 15.21 H new ATOM 0 HD23 LEU A 17 13.204 -1.986 -12.429 1.00 15.21 H new ATOM 291 N VAL A 18 15.806 -4.747 -15.279 1.00 50.23 N ATOM 292 CA VAL A 18 16.937 -4.856 -16.192 1.00 45.13 C ATOM 293 C VAL A 18 17.408 -6.301 -16.314 1.00 1.11 C ATOM 294 O VAL A 18 17.890 -6.721 -17.366 1.00 0.00 O ATOM 295 CB VAL A 18 18.118 -3.980 -15.731 1.00 34.33 C ATOM 296 CG1 VAL A 18 18.698 -4.510 -14.428 1.00 42.24 C ATOM 297 CG2 VAL A 18 19.186 -3.913 -16.812 1.00 35.31 C ATOM 0 H VAL A 18 15.913 -4.033 -14.558 1.00 50.23 H new ATOM 0 HA VAL A 18 16.593 -4.506 -17.165 1.00 45.13 H new ATOM 0 HB VAL A 18 17.751 -2.969 -15.553 1.00 34.33 H new ATOM 0 HG11 VAL A 18 19.531 -3.879 -14.117 1.00 42.24 H new ATOM 0 HG12 VAL A 18 17.928 -4.500 -13.656 1.00 42.24 H new ATOM 0 HG13 VAL A 18 19.051 -5.531 -14.575 1.00 42.24 H new ATOM 0 HG21 VAL A 18 20.012 -3.290 -16.469 1.00 35.31 H new ATOM 0 HG22 VAL A 18 19.552 -4.917 -17.024 1.00 35.31 H new ATOM 0 HG23 VAL A 18 18.760 -3.483 -17.718 1.00 35.31 H new ATOM 307 N ARG A 19 17.265 -7.057 -15.231 1.00 34.34 N ATOM 308 CA ARG A 19 17.676 -8.456 -15.216 1.00 12.05 C ATOM 309 C ARG A 19 16.746 -9.305 -16.077 1.00 61.33 C ATOM 310 O ARG A 19 17.186 -10.238 -16.750 1.00 1.42 O ATOM 311 CB ARG A 19 17.690 -8.990 -13.782 1.00 74.11 C ATOM 312 CG ARG A 19 19.002 -8.747 -13.054 1.00 73.22 C ATOM 313 CD ARG A 19 20.020 -9.832 -13.365 1.00 65.43 C ATOM 314 NE ARG A 19 19.826 -11.020 -12.537 1.00 54.34 N ATOM 315 CZ ARG A 19 20.648 -12.063 -12.543 1.00 42.40 C ATOM 316 NH1 ARG A 19 21.716 -12.065 -13.329 1.00 2.43 N ATOM 317 NH2 ARG A 19 20.404 -13.106 -11.761 1.00 74.31 N ATOM 0 H ARG A 19 16.868 -6.725 -14.352 1.00 34.34 H new ATOM 0 HA ARG A 19 18.683 -8.517 -15.629 1.00 12.05 H new ATOM 0 HB2 ARG A 19 16.881 -8.522 -13.221 1.00 74.11 H new ATOM 0 HB3 ARG A 19 17.487 -10.061 -13.800 1.00 74.11 H new ATOM 0 HG2 ARG A 19 19.404 -7.776 -13.341 1.00 73.22 H new ATOM 0 HG3 ARG A 19 18.822 -8.712 -11.979 1.00 73.22 H new ATOM 0 HD2 ARG A 19 19.946 -10.108 -14.417 1.00 65.43 H new ATOM 0 HD3 ARG A 19 21.025 -9.441 -13.208 1.00 65.43 H new ATOM 0 HE ARG A 19 19.014 -11.050 -11.920 1.00 54.34 H new ATOM 0 HH11 ARG A 19 21.908 -11.264 -13.931 1.00 2.43 H new ATOM 0 HH12 ARG A 19 22.346 -12.867 -13.332 1.00 2.43 H new ATOM 0 HH21 ARG A 19 19.584 -13.108 -11.154 1.00 74.31 H new ATOM 0 HH22 ARG A 19 21.036 -13.907 -11.767 1.00 74.31 H new ATOM 331 N SER A 20 15.458 -8.976 -16.051 1.00 65.32 N ATOM 332 CA SER A 20 14.466 -9.711 -16.826 1.00 71.33 C ATOM 333 C SER A 20 14.772 -9.628 -18.319 1.00 35.03 C ATOM 334 O SER A 20 14.538 -10.579 -19.066 1.00 43.23 O ATOM 335 CB SER A 20 13.064 -9.164 -16.550 1.00 3.31 C ATOM 336 OG SER A 20 12.260 -9.208 -17.716 1.00 45.51 O ATOM 0 H SER A 20 15.078 -8.205 -15.502 1.00 65.32 H new ATOM 0 HA SER A 20 14.506 -10.757 -16.522 1.00 71.33 H new ATOM 0 HB2 SER A 20 12.593 -9.746 -15.758 1.00 3.31 H new ATOM 0 HB3 SER A 20 13.135 -8.137 -16.192 1.00 3.31 H new ATOM 0 HG SER A 20 11.369 -8.855 -17.512 1.00 45.51 H new ATOM 342 N LEU A 21 15.295 -8.484 -18.746 1.00 31.22 N ATOM 343 CA LEU A 21 15.633 -8.275 -20.149 1.00 45.43 C ATOM 344 C LEU A 21 17.124 -8.491 -20.388 1.00 4.31 C ATOM 345 O LEU A 21 17.917 -8.511 -19.446 1.00 44.33 O ATOM 346 CB LEU A 21 15.235 -6.864 -20.585 1.00 52.43 C ATOM 347 CG LEU A 21 16.027 -5.717 -19.955 1.00 34.52 C ATOM 348 CD1 LEU A 21 16.771 -4.932 -21.023 1.00 40.12 C ATOM 349 CD2 LEU A 21 15.103 -4.803 -19.164 1.00 54.31 C ATOM 0 H LEU A 21 15.494 -7.687 -18.141 1.00 31.22 H new ATOM 0 HA LEU A 21 15.079 -9.002 -20.743 1.00 45.43 H new ATOM 0 HB2 LEU A 21 15.338 -6.798 -21.668 1.00 52.43 H new ATOM 0 HB3 LEU A 21 14.179 -6.719 -20.355 1.00 52.43 H new ATOM 0 HG LEU A 21 16.760 -6.141 -19.269 1.00 34.52 H new ATOM 0 HD11 LEU A 21 17.329 -4.120 -20.556 1.00 40.12 H new ATOM 0 HD12 LEU A 21 17.462 -5.593 -21.545 1.00 40.12 H new ATOM 0 HD13 LEU A 21 16.056 -4.519 -21.735 1.00 40.12 H new ATOM 0 HD21 LEU A 21 15.683 -3.993 -18.723 1.00 54.31 H new ATOM 0 HD22 LEU A 21 14.346 -4.387 -19.829 1.00 54.31 H new ATOM 0 HD23 LEU A 21 14.617 -5.374 -18.373 1.00 54.31 H new ATOM 361 N ASP A 22 17.499 -8.650 -21.652 1.00 52.14 N ATOM 362 CA ASP A 22 18.895 -8.861 -22.016 1.00 23.14 C ATOM 363 C ASP A 22 19.038 -9.083 -23.518 1.00 64.40 C ATOM 364 O ASP A 22 18.896 -10.205 -24.006 1.00 2.22 O ATOM 365 CB ASP A 22 19.467 -10.058 -21.254 1.00 3.53 C ATOM 366 CG ASP A 22 20.782 -9.735 -20.571 1.00 41.44 C ATOM 367 OD1 ASP A 22 21.574 -8.957 -21.145 1.00 74.34 O ATOM 368 OD2 ASP A 22 21.019 -10.258 -19.463 1.00 62.30 O ATOM 0 H ASP A 22 16.855 -8.637 -22.443 1.00 52.14 H new ATOM 0 HA ASP A 22 19.455 -7.966 -21.745 1.00 23.14 H new ATOM 0 HB2 ASP A 22 18.745 -10.389 -20.508 1.00 3.53 H new ATOM 0 HB3 ASP A 22 19.614 -10.888 -21.945 1.00 3.53 H new ATOM 373 N ARG A 23 19.320 -8.008 -24.246 1.00 55.31 N ATOM 374 CA ARG A 23 19.479 -8.085 -25.693 1.00 64.01 C ATOM 375 C ARG A 23 20.240 -6.872 -26.222 1.00 33.13 C ATOM 376 O ARG A 23 19.700 -6.040 -26.952 1.00 22.42 O ATOM 377 CB ARG A 23 18.113 -8.180 -26.374 1.00 70.33 C ATOM 378 CG ARG A 23 18.138 -8.952 -27.684 1.00 14.24 C ATOM 379 CD ARG A 23 18.508 -10.410 -27.464 1.00 31.30 C ATOM 380 NE ARG A 23 17.754 -11.007 -26.365 1.00 74.00 N ATOM 381 CZ ARG A 23 16.515 -11.470 -26.490 1.00 53.30 C ATOM 382 NH1 ARG A 23 15.894 -11.405 -27.660 1.00 22.11 N ATOM 383 NH2 ARG A 23 15.894 -11.999 -25.443 1.00 41.14 N ATOM 0 H ARG A 23 19.443 -7.073 -23.857 1.00 55.31 H new ATOM 0 HA ARG A 23 20.054 -8.982 -25.922 1.00 64.01 H new ATOM 0 HB2 ARG A 23 17.409 -8.659 -25.693 1.00 70.33 H new ATOM 0 HB3 ARG A 23 17.739 -7.173 -26.562 1.00 70.33 H new ATOM 0 HG2 ARG A 23 17.160 -8.892 -28.162 1.00 14.24 H new ATOM 0 HG3 ARG A 23 18.854 -8.492 -28.365 1.00 14.24 H new ATOM 0 HD2 ARG A 23 18.322 -10.973 -28.379 1.00 31.30 H new ATOM 0 HD3 ARG A 23 19.575 -10.485 -27.254 1.00 31.30 H new ATOM 0 HE ARG A 23 18.203 -11.072 -25.452 1.00 74.00 H new ATOM 0 HH11 ARG A 23 16.368 -10.999 -28.467 1.00 22.11 H new ATOM 0 HH12 ARG A 23 14.943 -11.761 -27.753 1.00 22.11 H new ATOM 0 HH21 ARG A 23 16.368 -12.050 -24.541 1.00 41.14 H new ATOM 0 HH22 ARG A 23 14.943 -12.354 -25.540 1.00 41.14 H new ATOM 397 N PRO A 24 21.523 -6.767 -25.845 1.00 34.23 N ATOM 398 CA PRO A 24 22.384 -5.660 -26.269 1.00 43.11 C ATOM 399 C PRO A 24 22.724 -5.726 -27.754 1.00 40.11 C ATOM 400 O PRO A 24 23.823 -6.132 -28.131 1.00 30.14 O ATOM 401 CB PRO A 24 23.646 -5.848 -25.423 1.00 41.00 C ATOM 402 CG PRO A 24 23.670 -7.301 -25.096 1.00 34.22 C ATOM 403 CD PRO A 24 22.231 -7.722 -24.976 1.00 11.13 C ATOM 0 HA PRO A 24 21.901 -4.692 -26.131 1.00 43.11 H new ATOM 0 HB2 PRO A 24 24.539 -5.551 -25.973 1.00 41.00 H new ATOM 0 HB3 PRO A 24 23.611 -5.239 -24.519 1.00 41.00 H new ATOM 0 HG2 PRO A 24 24.179 -7.868 -25.875 1.00 34.22 H new ATOM 0 HG3 PRO A 24 24.209 -7.483 -24.166 1.00 34.22 H new ATOM 0 HD2 PRO A 24 22.084 -8.751 -25.306 1.00 11.13 H new ATOM 0 HD3 PRO A 24 21.880 -7.664 -23.946 1.00 11.13 H new ATOM 411 N GLN A 25 21.774 -5.324 -28.592 1.00 41.42 N ATOM 412 CA GLN A 25 21.974 -5.338 -30.036 1.00 42.15 C ATOM 413 C GLN A 25 22.857 -4.174 -30.475 1.00 71.23 C ATOM 414 O GLN A 25 23.834 -4.363 -31.199 1.00 21.24 O ATOM 415 CB GLN A 25 20.628 -5.273 -30.760 1.00 31.43 C ATOM 416 CG GLN A 25 19.640 -6.334 -30.301 1.00 54.34 C ATOM 417 CD GLN A 25 18.842 -6.922 -31.448 1.00 72.42 C ATOM 418 OE1 GLN A 25 17.638 -6.690 -31.566 1.00 44.23 O ATOM 419 NE2 GLN A 25 19.509 -7.690 -32.302 1.00 25.15 N ATOM 0 H GLN A 25 20.859 -4.985 -28.296 1.00 41.42 H new ATOM 0 HA GLN A 25 22.475 -6.270 -30.298 1.00 42.15 H new ATOM 0 HB2 GLN A 25 20.189 -4.288 -30.605 1.00 31.43 H new ATOM 0 HB3 GLN A 25 20.795 -5.383 -31.831 1.00 31.43 H new ATOM 0 HG2 GLN A 25 20.180 -7.132 -29.792 1.00 54.34 H new ATOM 0 HG3 GLN A 25 18.956 -5.898 -29.573 1.00 54.34 H new ATOM 0 HE21 GLN A 25 20.506 -7.856 -32.167 1.00 25.15 H new ATOM 0 HE22 GLN A 25 19.024 -8.114 -33.093 1.00 25.15 H new ATOM 428 N GLU A 26 22.505 -2.971 -30.033 1.00 32.02 N ATOM 429 CA GLU A 26 23.265 -1.777 -30.382 1.00 3.23 C ATOM 430 C GLU A 26 24.549 -1.690 -29.561 1.00 14.24 C ATOM 431 O GLU A 26 25.629 -1.456 -30.101 1.00 32.12 O ATOM 432 CB GLU A 26 22.418 -0.522 -30.159 1.00 21.42 C ATOM 433 CG GLU A 26 21.995 0.164 -31.447 1.00 64.40 C ATOM 434 CD GLU A 26 22.911 1.312 -31.824 1.00 0.11 C ATOM 435 OE1 GLU A 26 23.079 2.232 -30.996 1.00 54.54 O ATOM 436 OE2 GLU A 26 23.459 1.291 -32.945 1.00 64.15 O ATOM 0 H GLU A 26 21.699 -2.798 -29.433 1.00 32.02 H new ATOM 0 HA GLU A 26 23.532 -1.843 -31.437 1.00 3.23 H new ATOM 0 HB2 GLU A 26 21.527 -0.791 -29.591 1.00 21.42 H new ATOM 0 HB3 GLU A 26 22.983 0.184 -29.550 1.00 21.42 H new ATOM 0 HG2 GLU A 26 21.982 -0.566 -32.256 1.00 64.40 H new ATOM 0 HG3 GLU A 26 20.977 0.537 -31.338 1.00 64.40 H new ATOM 443 N ASN A 27 24.420 -1.879 -28.251 1.00 63.13 N ATOM 444 CA ASN A 27 25.569 -1.821 -27.354 1.00 51.05 C ATOM 445 C ASN A 27 26.322 -0.505 -27.520 1.00 1.41 C ATOM 446 O ASN A 27 27.504 -0.492 -27.860 1.00 24.23 O ATOM 447 CB ASN A 27 26.510 -2.997 -27.621 1.00 24.20 C ATOM 448 CG ASN A 27 27.603 -3.112 -26.575 1.00 52.34 C ATOM 449 OD1 ASN A 27 28.770 -2.829 -26.847 1.00 72.44 O ATOM 450 ND2 ASN A 27 27.228 -3.528 -25.371 1.00 71.14 N ATOM 0 H ASN A 27 23.532 -2.073 -27.788 1.00 63.13 H new ATOM 0 HA ASN A 27 25.203 -1.883 -26.329 1.00 51.05 H new ATOM 0 HB2 ASN A 27 25.934 -3.922 -27.644 1.00 24.20 H new ATOM 0 HB3 ASN A 27 26.964 -2.880 -28.605 1.00 24.20 H new ATOM 0 HD21 ASN A 27 27.919 -3.624 -24.627 1.00 71.14 H new ATOM 0 HD22 ASN A 27 26.249 -3.751 -25.191 1.00 71.14 H new ATOM 457 N GLY A 28 25.628 0.603 -27.276 1.00 51.13 N ATOM 458 CA GLY A 28 26.247 1.909 -27.403 1.00 1.50 C ATOM 459 C GLY A 28 25.430 3.004 -26.746 1.00 51.45 C ATOM 460 O GLY A 28 25.983 3.933 -26.156 1.00 1.12 O ATOM 0 H GLY A 28 24.648 0.619 -26.993 1.00 51.13 H new ATOM 0 HA2 GLY A 28 27.240 1.882 -26.955 1.00 1.50 H new ATOM 0 HA3 GLY A 28 26.380 2.143 -28.459 1.00 1.50 H new ATOM 464 N LEU A 29 24.110 2.898 -26.850 1.00 52.13 N ATOM 465 CA LEU A 29 23.214 3.888 -26.263 1.00 11.41 C ATOM 466 C LEU A 29 21.760 3.440 -26.372 1.00 41.11 C ATOM 467 O LEU A 29 20.957 3.676 -25.469 1.00 42.00 O ATOM 468 CB LEU A 29 23.395 5.242 -26.952 1.00 64.35 C ATOM 469 CG LEU A 29 22.292 6.272 -26.710 1.00 72.10 C ATOM 470 CD1 LEU A 29 22.890 7.652 -26.487 1.00 52.43 C ATOM 471 CD2 LEU A 29 21.316 6.293 -27.878 1.00 3.33 C ATOM 0 H LEU A 29 23.636 2.136 -27.335 1.00 52.13 H new ATOM 0 HA LEU A 29 23.466 3.988 -25.207 1.00 11.41 H new ATOM 0 HB2 LEU A 29 24.342 5.670 -26.624 1.00 64.35 H new ATOM 0 HB3 LEU A 29 23.477 5.073 -28.026 1.00 64.35 H new ATOM 0 HG LEU A 29 21.745 5.986 -25.811 1.00 72.10 H new ATOM 0 HD11 LEU A 29 22.090 8.372 -26.316 1.00 52.43 H new ATOM 0 HD12 LEU A 29 23.547 7.628 -25.618 1.00 52.43 H new ATOM 0 HD13 LEU A 29 23.462 7.947 -27.367 1.00 52.43 H new ATOM 0 HD21 LEU A 29 20.538 7.032 -27.688 1.00 3.33 H new ATOM 0 HD22 LEU A 29 21.849 6.554 -28.793 1.00 3.33 H new ATOM 0 HD23 LEU A 29 20.862 5.308 -27.990 1.00 3.33 H new ATOM 483 N PHE A 30 21.428 2.790 -27.483 1.00 5.40 N ATOM 484 CA PHE A 30 20.071 2.307 -27.710 1.00 4.50 C ATOM 485 C PHE A 30 19.698 1.235 -26.691 1.00 23.31 C ATOM 486 O PHE A 30 18.526 0.893 -26.534 1.00 41.20 O ATOM 487 CB PHE A 30 19.937 1.749 -29.128 1.00 33.30 C ATOM 488 CG PHE A 30 19.314 2.714 -30.096 1.00 63.10 C ATOM 489 CD1 PHE A 30 19.994 3.855 -30.491 1.00 22.13 C ATOM 490 CD2 PHE A 30 18.050 2.480 -30.612 1.00 32.03 C ATOM 491 CE1 PHE A 30 19.423 4.745 -31.381 1.00 3.04 C ATOM 492 CE2 PHE A 30 17.474 3.366 -31.502 1.00 40.34 C ATOM 493 CZ PHE A 30 18.162 4.500 -31.888 1.00 63.21 C ATOM 0 H PHE A 30 22.080 2.586 -28.240 1.00 5.40 H new ATOM 0 HA PHE A 30 19.388 3.148 -27.592 1.00 4.50 H new ATOM 0 HB2 PHE A 30 20.924 1.467 -29.494 1.00 33.30 H new ATOM 0 HB3 PHE A 30 19.337 0.840 -29.097 1.00 33.30 H new ATOM 0 HD1 PHE A 30 20.981 4.051 -30.099 1.00 22.13 H new ATOM 0 HD2 PHE A 30 17.508 1.594 -30.315 1.00 32.03 H new ATOM 0 HE1 PHE A 30 19.963 5.632 -31.680 1.00 3.04 H new ATOM 0 HE2 PHE A 30 16.487 3.172 -31.895 1.00 40.34 H new ATOM 0 HZ PHE A 30 17.715 5.193 -32.585 1.00 63.21 H new ATOM 503 N SER A 31 20.704 0.707 -26.001 1.00 64.22 N ATOM 504 CA SER A 31 20.484 -0.330 -25.000 1.00 72.42 C ATOM 505 C SER A 31 21.531 -0.249 -23.893 1.00 54.44 C ATOM 506 O SER A 31 21.822 -1.241 -23.226 1.00 15.20 O ATOM 507 CB SER A 31 20.521 -1.714 -25.652 1.00 23.00 C ATOM 508 OG SER A 31 19.612 -2.599 -25.022 1.00 33.41 O ATOM 0 H SER A 31 21.680 0.981 -26.117 1.00 64.22 H new ATOM 0 HA SER A 31 19.501 -0.170 -24.558 1.00 72.42 H new ATOM 0 HB2 SER A 31 20.275 -1.628 -26.710 1.00 23.00 H new ATOM 0 HB3 SER A 31 21.530 -2.121 -25.592 1.00 23.00 H new ATOM 0 HG SER A 31 19.654 -3.476 -25.458 1.00 33.41 H new ATOM 514 N GLN A 32 22.092 0.941 -23.706 1.00 4.23 N ATOM 515 CA GLN A 32 23.107 1.153 -22.681 1.00 25.04 C ATOM 516 C GLN A 32 23.163 2.619 -22.265 1.00 5.24 C ATOM 517 O GLN A 32 22.413 3.449 -22.778 1.00 44.43 O ATOM 518 CB GLN A 32 24.478 0.702 -23.189 1.00 51.11 C ATOM 519 CG GLN A 32 25.120 -0.377 -22.332 1.00 40.21 C ATOM 520 CD GLN A 32 24.474 -1.735 -22.522 1.00 54.22 C ATOM 521 OE1 GLN A 32 24.092 -2.394 -21.555 1.00 33.21 O ATOM 522 NE2 GLN A 32 24.347 -2.161 -23.774 1.00 0.44 N ATOM 0 H GLN A 32 21.861 1.772 -24.250 1.00 4.23 H new ATOM 0 HA GLN A 32 22.836 0.557 -21.809 1.00 25.04 H new ATOM 0 HB2 GLN A 32 24.374 0.331 -24.208 1.00 51.11 H new ATOM 0 HB3 GLN A 32 25.143 1.565 -23.230 1.00 51.11 H new ATOM 0 HG2 GLN A 32 26.180 -0.446 -22.576 1.00 40.21 H new ATOM 0 HG3 GLN A 32 25.052 -0.090 -21.283 1.00 40.21 H new ATOM 0 HE21 GLN A 32 24.678 -1.582 -24.546 1.00 0.44 H new ATOM 0 HE22 GLN A 32 23.919 -3.067 -23.963 1.00 0.44 H new ATOM 531 N ASP A 33 24.056 2.931 -21.332 1.00 23.55 N ATOM 532 CA ASP A 33 24.211 4.297 -20.847 1.00 13.23 C ATOM 533 C ASP A 33 25.449 4.951 -21.451 1.00 5.33 C ATOM 534 O ASP A 33 26.576 4.525 -21.196 1.00 41.21 O ATOM 535 CB ASP A 33 24.304 4.312 -19.320 1.00 51.02 C ATOM 536 CG ASP A 33 22.981 3.986 -18.656 1.00 74.11 C ATOM 537 OD1 ASP A 33 22.485 2.855 -18.844 1.00 22.34 O ATOM 538 OD2 ASP A 33 22.441 4.861 -17.948 1.00 52.44 O ATOM 0 H ASP A 33 24.684 2.255 -20.896 1.00 23.55 H new ATOM 0 HA ASP A 33 23.334 4.867 -21.155 1.00 13.23 H new ATOM 0 HB2 ASP A 33 25.056 3.592 -18.998 1.00 51.02 H new ATOM 0 HB3 ASP A 33 24.641 5.294 -18.989 1.00 51.02 H new ATOM 543 N VAL A 34 25.233 5.989 -22.253 1.00 60.54 N ATOM 544 CA VAL A 34 26.332 6.702 -22.894 1.00 75.20 C ATOM 545 C VAL A 34 27.350 7.180 -21.866 1.00 24.34 C ATOM 546 O VAL A 34 28.534 7.331 -22.172 1.00 12.42 O ATOM 547 CB VAL A 34 25.822 7.913 -23.697 1.00 14.32 C ATOM 548 CG1 VAL A 34 24.998 8.834 -22.809 1.00 71.22 C ATOM 549 CG2 VAL A 34 26.986 8.665 -24.323 1.00 43.13 C ATOM 0 H VAL A 34 24.307 6.355 -22.474 1.00 60.54 H new ATOM 0 HA VAL A 34 26.811 5.999 -23.576 1.00 75.20 H new ATOM 0 HB VAL A 34 25.179 7.550 -24.499 1.00 14.32 H new ATOM 0 HG11 VAL A 34 24.646 9.684 -23.394 1.00 71.22 H new ATOM 0 HG12 VAL A 34 24.142 8.287 -22.412 1.00 71.22 H new ATOM 0 HG13 VAL A 34 25.614 9.191 -21.984 1.00 71.22 H new ATOM 0 HG21 VAL A 34 26.607 9.518 -24.887 1.00 43.13 H new ATOM 0 HG22 VAL A 34 27.656 9.017 -23.538 1.00 43.13 H new ATOM 0 HG23 VAL A 34 27.531 8.000 -24.993 1.00 43.13 H new ATOM 559 N LEU A 35 26.884 7.415 -20.644 1.00 52.43 N ATOM 560 CA LEU A 35 27.755 7.876 -19.568 1.00 54.14 C ATOM 561 C LEU A 35 28.826 6.837 -19.252 1.00 51.43 C ATOM 562 O LEU A 35 29.872 7.161 -18.688 1.00 21.40 O ATOM 563 CB LEU A 35 26.933 8.176 -18.314 1.00 32.15 C ATOM 564 CG LEU A 35 27.388 9.377 -17.484 1.00 25.32 C ATOM 565 CD1 LEU A 35 28.761 9.120 -16.882 1.00 65.24 C ATOM 566 CD2 LEU A 35 27.405 10.638 -18.335 1.00 74.00 C ATOM 0 H LEU A 35 25.908 7.294 -20.374 1.00 52.43 H new ATOM 0 HA LEU A 35 28.248 8.790 -19.899 1.00 54.14 H new ATOM 0 HB2 LEU A 35 25.897 8.338 -18.613 1.00 32.15 H new ATOM 0 HB3 LEU A 35 26.946 7.293 -17.675 1.00 32.15 H new ATOM 0 HG LEU A 35 26.678 9.522 -16.670 1.00 25.32 H new ATOM 0 HD11 LEU A 35 29.069 9.985 -16.295 1.00 65.24 H new ATOM 0 HD12 LEU A 35 28.717 8.241 -16.238 1.00 65.24 H new ATOM 0 HD13 LEU A 35 29.482 8.949 -17.681 1.00 65.24 H new ATOM 0 HD21 LEU A 35 27.731 11.482 -17.728 1.00 74.00 H new ATOM 0 HD22 LEU A 35 28.093 10.504 -19.170 1.00 74.00 H new ATOM 0 HD23 LEU A 35 26.403 10.832 -18.718 1.00 74.00 H new ATOM 578 N LEU A 36 28.560 5.589 -19.621 1.00 55.33 N ATOM 579 CA LEU A 36 29.502 4.502 -19.379 1.00 52.34 C ATOM 580 C LEU A 36 30.328 4.210 -20.628 1.00 21.03 C ATOM 581 O LEU A 36 30.740 3.073 -20.858 1.00 42.50 O ATOM 582 CB LEU A 36 28.755 3.241 -18.942 1.00 13.34 C ATOM 583 CG LEU A 36 28.198 3.251 -17.517 1.00 43.23 C ATOM 584 CD1 LEU A 36 27.001 4.183 -17.419 1.00 13.34 C ATOM 585 CD2 LEU A 36 27.818 1.843 -17.084 1.00 12.14 C ATOM 0 H LEU A 36 27.700 5.305 -20.089 1.00 55.33 H new ATOM 0 HA LEU A 36 30.178 4.811 -18.582 1.00 52.34 H new ATOM 0 HB2 LEU A 36 27.928 3.075 -19.633 1.00 13.34 H new ATOM 0 HB3 LEU A 36 29.429 2.390 -19.041 1.00 13.34 H new ATOM 0 HG LEU A 36 28.974 3.619 -16.846 1.00 43.23 H new ATOM 0 HD11 LEU A 36 26.618 4.177 -16.399 1.00 13.34 H new ATOM 0 HD12 LEU A 36 27.305 5.195 -17.687 1.00 13.34 H new ATOM 0 HD13 LEU A 36 26.221 3.846 -18.101 1.00 13.34 H new ATOM 0 HD21 LEU A 36 27.424 1.869 -16.068 1.00 12.14 H new ATOM 0 HD22 LEU A 36 27.058 1.448 -17.758 1.00 12.14 H new ATOM 0 HD23 LEU A 36 28.699 1.202 -17.115 1.00 12.14 H new ATOM 597 N GLN A 37 30.567 5.244 -21.428 1.00 64.32 N ATOM 598 CA GLN A 37 31.346 5.097 -22.652 1.00 40.12 C ATOM 599 C GLN A 37 32.743 5.686 -22.483 1.00 33.13 C ATOM 600 O GLN A 37 33.725 4.954 -22.359 1.00 70.11 O ATOM 601 CB GLN A 37 30.631 5.778 -23.821 1.00 22.40 C ATOM 602 CG GLN A 37 29.235 5.235 -24.079 1.00 14.43 C ATOM 603 CD GLN A 37 29.248 3.810 -24.595 1.00 51.22 C ATOM 604 OE1 GLN A 37 30.247 3.347 -25.147 1.00 75.00 O ATOM 605 NE2 GLN A 37 28.136 3.106 -24.418 1.00 63.25 N ATOM 0 H GLN A 37 30.233 6.191 -21.251 1.00 64.32 H new ATOM 0 HA GLN A 37 31.444 4.032 -22.865 1.00 40.12 H new ATOM 0 HB2 GLN A 37 30.565 6.848 -23.622 1.00 22.40 H new ATOM 0 HB3 GLN A 37 31.231 5.658 -24.723 1.00 22.40 H new ATOM 0 HG2 GLN A 37 28.657 5.278 -23.156 1.00 14.43 H new ATOM 0 HG3 GLN A 37 28.729 5.874 -24.802 1.00 14.43 H new ATOM 0 HE21 GLN A 37 27.332 3.530 -23.955 1.00 63.25 H new ATOM 0 HE22 GLN A 37 28.086 2.141 -24.745 1.00 63.25 H new ATOM 614 N TYR A 38 32.824 7.012 -22.478 1.00 73.32 N ATOM 615 CA TYR A 38 34.101 7.699 -22.327 1.00 33.13 C ATOM 616 C TYR A 38 33.892 9.149 -21.903 1.00 12.45 C ATOM 617 O TYR A 38 32.835 9.741 -22.122 1.00 12.50 O ATOM 618 CB TYR A 38 34.890 7.647 -23.636 1.00 11.40 C ATOM 619 CG TYR A 38 35.755 6.415 -23.774 1.00 33.24 C ATOM 620 CD1 TYR A 38 36.626 6.037 -22.760 1.00 5.35 C ATOM 621 CD2 TYR A 38 35.701 5.628 -24.918 1.00 11.34 C ATOM 622 CE1 TYR A 38 37.419 4.912 -22.881 1.00 1.31 C ATOM 623 CE2 TYR A 38 36.489 4.501 -25.047 1.00 73.10 C ATOM 624 CZ TYR A 38 37.346 4.147 -24.026 1.00 42.23 C ATOM 625 OH TYR A 38 38.134 3.026 -24.152 1.00 33.30 O ATOM 0 H TYR A 38 32.020 7.632 -22.577 1.00 73.32 H new ATOM 0 HA TYR A 38 34.669 7.190 -21.548 1.00 33.13 H new ATOM 0 HB2 TYR A 38 34.192 7.686 -24.473 1.00 11.40 H new ATOM 0 HB3 TYR A 38 35.521 8.533 -23.705 1.00 11.40 H new ATOM 0 HD1 TYR A 38 36.684 6.633 -21.861 1.00 5.35 H new ATOM 0 HD2 TYR A 38 35.032 5.902 -25.720 1.00 11.34 H new ATOM 0 HE1 TYR A 38 38.092 4.633 -22.084 1.00 1.31 H new ATOM 0 HE2 TYR A 38 36.434 3.900 -25.943 1.00 73.10 H new ATOM 0 HH TYR A 38 37.961 2.600 -25.017 1.00 33.30 H new ATOM 635 N PRO A 39 34.924 9.737 -21.280 1.00 43.20 N ATOM 636 CA PRO A 39 34.880 11.126 -20.812 1.00 63.24 C ATOM 637 C PRO A 39 34.879 12.125 -21.964 1.00 13.51 C ATOM 638 O PRO A 39 35.901 12.740 -22.265 1.00 2.33 O ATOM 639 CB PRO A 39 36.162 11.263 -19.987 1.00 21.00 C ATOM 640 CG PRO A 39 37.085 10.237 -20.547 1.00 62.35 C ATOM 641 CD PRO A 39 36.215 9.092 -20.985 1.00 75.52 C ATOM 0 HA PRO A 39 33.971 11.339 -20.250 1.00 63.24 H new ATOM 0 HB2 PRO A 39 36.584 12.264 -20.074 1.00 21.00 H new ATOM 0 HB3 PRO A 39 35.972 11.088 -18.928 1.00 21.00 H new ATOM 0 HG2 PRO A 39 37.652 10.639 -21.386 1.00 62.35 H new ATOM 0 HG3 PRO A 39 37.809 9.913 -19.799 1.00 62.35 H new ATOM 0 HD2 PRO A 39 36.623 8.590 -21.862 1.00 75.52 H new ATOM 0 HD3 PRO A 39 36.118 8.339 -20.203 1.00 75.52 H new ATOM 649 N GLU A 40 33.724 12.283 -22.604 1.00 20.43 N ATOM 650 CA GLU A 40 33.591 13.208 -23.723 1.00 2.24 C ATOM 651 C GLU A 40 32.127 13.379 -24.116 1.00 51.24 C ATOM 652 O GLU A 40 31.693 14.474 -24.477 1.00 12.22 O ATOM 653 CB GLU A 40 34.399 12.711 -24.923 1.00 71.13 C ATOM 654 CG GLU A 40 34.250 11.221 -25.182 1.00 54.13 C ATOM 655 CD GLU A 40 35.582 10.497 -25.209 1.00 13.22 C ATOM 656 OE1 GLU A 40 36.369 10.670 -24.254 1.00 71.55 O ATOM 657 OE2 GLU A 40 35.837 9.759 -26.183 1.00 3.11 O ATOM 0 H GLU A 40 32.868 11.782 -22.366 1.00 20.43 H new ATOM 0 HA GLU A 40 33.980 14.177 -23.409 1.00 2.24 H new ATOM 0 HB2 GLU A 40 34.087 13.259 -25.812 1.00 71.13 H new ATOM 0 HB3 GLU A 40 35.452 12.940 -24.761 1.00 71.13 H new ATOM 0 HG2 GLU A 40 33.618 10.783 -24.409 1.00 54.13 H new ATOM 0 HG3 GLU A 40 33.740 11.071 -26.133 1.00 54.13 H new ATOM 664 N LEU A 41 31.370 12.290 -24.046 1.00 24.55 N ATOM 665 CA LEU A 41 29.954 12.317 -24.395 1.00 3.22 C ATOM 666 C LEU A 41 29.085 12.346 -23.142 1.00 12.11 C ATOM 667 O LEU A 41 27.862 12.229 -23.220 1.00 3.30 O ATOM 668 CB LEU A 41 29.596 11.101 -25.250 1.00 71.22 C ATOM 669 CG LEU A 41 30.106 9.751 -24.745 1.00 22.13 C ATOM 670 CD1 LEU A 41 31.549 9.532 -25.171 1.00 44.14 C ATOM 671 CD2 LEU A 41 29.977 9.665 -23.231 1.00 32.20 C ATOM 0 H LEU A 41 31.713 11.376 -23.750 1.00 24.55 H new ATOM 0 HA LEU A 41 29.763 13.225 -24.968 1.00 3.22 H new ATOM 0 HB2 LEU A 41 28.511 11.048 -25.334 1.00 71.22 H new ATOM 0 HB3 LEU A 41 29.986 11.261 -26.255 1.00 71.22 H new ATOM 0 HG LEU A 41 29.495 8.965 -25.188 1.00 22.13 H new ATOM 0 HD11 LEU A 41 31.895 8.566 -24.802 1.00 44.14 H new ATOM 0 HD12 LEU A 41 31.614 9.550 -26.259 1.00 44.14 H new ATOM 0 HD13 LEU A 41 32.175 10.323 -24.757 1.00 44.14 H new ATOM 0 HD21 LEU A 41 30.345 8.698 -22.889 1.00 32.20 H new ATOM 0 HD22 LEU A 41 30.564 10.460 -22.770 1.00 32.20 H new ATOM 0 HD23 LEU A 41 28.930 9.776 -22.948 1.00 32.20 H new ATOM 683 N ALA A 42 29.724 12.504 -21.988 1.00 3.43 N ATOM 684 CA ALA A 42 29.009 12.553 -20.719 1.00 1.25 C ATOM 685 C ALA A 42 28.130 13.796 -20.631 1.00 41.11 C ATOM 686 O ALA A 42 27.093 13.788 -19.968 1.00 43.24 O ATOM 687 CB ALA A 42 29.992 12.517 -19.557 1.00 74.53 C ATOM 0 H ALA A 42 30.736 12.600 -21.906 1.00 3.43 H new ATOM 0 HA ALA A 42 28.362 11.678 -20.661 1.00 1.25 H new ATOM 0 HB1 ALA A 42 29.444 12.554 -18.616 1.00 74.53 H new ATOM 0 HB2 ALA A 42 30.575 11.597 -19.602 1.00 74.53 H new ATOM 0 HB3 ALA A 42 30.662 13.374 -19.621 1.00 74.53 H new ATOM 693 N GLU A 43 28.552 14.862 -21.304 1.00 1.43 N ATOM 694 CA GLU A 43 27.803 16.113 -21.300 1.00 14.25 C ATOM 695 C GLU A 43 26.545 15.997 -22.156 1.00 62.24 C ATOM 696 O GLU A 43 25.444 16.316 -21.708 1.00 61.12 O ATOM 697 CB GLU A 43 28.677 17.259 -21.811 1.00 45.53 C ATOM 698 CG GLU A 43 28.296 18.616 -21.244 1.00 52.41 C ATOM 699 CD GLU A 43 29.363 19.668 -21.479 1.00 72.01 C ATOM 700 OE1 GLU A 43 30.445 19.310 -21.989 1.00 4.13 O ATOM 701 OE2 GLU A 43 29.116 20.848 -21.154 1.00 33.25 O ATOM 0 H GLU A 43 29.408 14.884 -21.858 1.00 1.43 H new ATOM 0 HA GLU A 43 27.505 16.324 -20.273 1.00 14.25 H new ATOM 0 HB2 GLU A 43 29.717 17.050 -21.562 1.00 45.53 H new ATOM 0 HB3 GLU A 43 28.611 17.298 -22.898 1.00 45.53 H new ATOM 0 HG2 GLU A 43 27.361 18.945 -21.697 1.00 52.41 H new ATOM 0 HG3 GLU A 43 28.115 18.520 -20.173 1.00 52.41 H new ATOM 708 N SER A 44 26.718 15.538 -23.392 1.00 5.02 N ATOM 709 CA SER A 44 25.599 15.383 -24.314 1.00 3.43 C ATOM 710 C SER A 44 24.524 14.480 -23.717 1.00 4.24 C ATOM 711 O SER A 44 23.341 14.616 -24.028 1.00 31.51 O ATOM 712 CB SER A 44 26.084 14.807 -25.645 1.00 60.33 C ATOM 713 OG SER A 44 25.948 13.396 -25.670 1.00 2.41 O ATOM 0 H SER A 44 27.623 15.267 -23.778 1.00 5.02 H new ATOM 0 HA SER A 44 25.165 16.368 -24.489 1.00 3.43 H new ATOM 0 HB2 SER A 44 25.513 15.245 -26.464 1.00 60.33 H new ATOM 0 HB3 SER A 44 27.128 15.078 -25.803 1.00 60.33 H new ATOM 0 HG SER A 44 26.511 13.001 -24.972 1.00 2.41 H new ATOM 719 N TYR A 45 24.945 13.559 -22.857 1.00 64.03 N ATOM 720 CA TYR A 45 24.020 12.631 -22.218 1.00 4.04 C ATOM 721 C TYR A 45 22.859 13.379 -21.570 1.00 40.11 C ATOM 722 O TYR A 45 21.717 12.920 -21.596 1.00 34.20 O ATOM 723 CB TYR A 45 24.751 11.793 -21.167 1.00 31.01 C ATOM 724 CG TYR A 45 23.827 10.959 -20.308 1.00 61.14 C ATOM 725 CD1 TYR A 45 22.829 10.180 -20.881 1.00 25.53 C ATOM 726 CD2 TYR A 45 23.953 10.950 -18.925 1.00 32.54 C ATOM 727 CE1 TYR A 45 21.983 9.417 -20.100 1.00 31.40 C ATOM 728 CE2 TYR A 45 23.112 10.188 -18.136 1.00 54.51 C ATOM 729 CZ TYR A 45 22.128 9.424 -18.728 1.00 40.23 C ATOM 730 OH TYR A 45 21.288 8.664 -17.947 1.00 54.53 O ATOM 0 H TYR A 45 25.921 13.435 -22.587 1.00 64.03 H new ATOM 0 HA TYR A 45 23.619 11.970 -22.986 1.00 4.04 H new ATOM 0 HB2 TYR A 45 25.460 11.134 -21.668 1.00 31.01 H new ATOM 0 HB3 TYR A 45 25.331 12.456 -20.525 1.00 31.01 H new ATOM 0 HD1 TYR A 45 22.713 10.171 -21.955 1.00 25.53 H new ATOM 0 HD2 TYR A 45 24.721 11.549 -18.458 1.00 32.54 H new ATOM 0 HE1 TYR A 45 21.212 8.818 -20.561 1.00 31.40 H new ATOM 0 HE2 TYR A 45 23.225 10.191 -17.062 1.00 54.51 H new ATOM 0 HH TYR A 45 21.699 8.520 -17.069 1.00 54.53 H new ATOM 740 N THR A 46 23.159 14.537 -20.989 1.00 65.51 N ATOM 741 CA THR A 46 22.143 15.350 -20.334 1.00 73.41 C ATOM 742 C THR A 46 21.148 15.906 -21.346 1.00 34.10 C ATOM 743 O THR A 46 19.967 16.079 -21.041 1.00 63.03 O ATOM 744 CB THR A 46 22.774 16.519 -19.556 1.00 2.23 C ATOM 745 OG1 THR A 46 23.435 17.410 -20.461 1.00 52.33 O ATOM 746 CG2 THR A 46 23.768 16.008 -18.523 1.00 41.45 C ATOM 0 H THR A 46 24.099 14.932 -20.959 1.00 65.51 H new ATOM 0 HA THR A 46 21.620 14.699 -19.634 1.00 73.41 H new ATOM 0 HB THR A 46 21.978 17.053 -19.038 1.00 2.23 H new ATOM 0 HG1 THR A 46 24.071 16.906 -21.010 1.00 52.33 H new ATOM 0 HG21 THR A 46 24.201 16.852 -17.986 1.00 41.45 H new ATOM 0 HG22 THR A 46 23.256 15.353 -17.818 1.00 41.45 H new ATOM 0 HG23 THR A 46 24.560 15.452 -19.024 1.00 41.45 H new ATOM 754 N LYS A 47 21.631 16.184 -22.552 1.00 55.21 N ATOM 755 CA LYS A 47 20.783 16.719 -23.611 1.00 43.52 C ATOM 756 C LYS A 47 19.784 15.672 -24.090 1.00 74.31 C ATOM 757 O LYS A 47 18.731 16.006 -24.633 1.00 54.31 O ATOM 758 CB LYS A 47 21.640 17.197 -24.786 1.00 23.40 C ATOM 759 CG LYS A 47 20.835 17.532 -26.030 1.00 22.25 C ATOM 760 CD LYS A 47 20.725 16.337 -26.961 1.00 60.34 C ATOM 761 CE LYS A 47 19.398 16.329 -27.704 1.00 15.31 C ATOM 762 NZ LYS A 47 19.585 16.176 -29.173 1.00 54.13 N ATOM 0 H LYS A 47 22.605 16.048 -22.821 1.00 55.21 H new ATOM 0 HA LYS A 47 20.228 17.565 -23.205 1.00 43.52 H new ATOM 0 HB2 LYS A 47 22.203 18.079 -24.479 1.00 23.40 H new ATOM 0 HB3 LYS A 47 22.368 16.424 -25.032 1.00 23.40 H new ATOM 0 HG2 LYS A 47 19.837 17.862 -25.741 1.00 22.25 H new ATOM 0 HG3 LYS A 47 21.306 18.362 -26.556 1.00 22.25 H new ATOM 0 HD2 LYS A 47 21.545 16.357 -27.679 1.00 60.34 H new ATOM 0 HD3 LYS A 47 20.827 15.416 -26.386 1.00 60.34 H new ATOM 0 HE2 LYS A 47 18.778 15.514 -27.330 1.00 15.31 H new ATOM 0 HE3 LYS A 47 18.863 17.256 -27.501 1.00 15.31 H new ATOM 0 HZ1 LYS A 47 18.657 16.175 -29.643 1.00 54.13 H new ATOM 0 HZ2 LYS A 47 20.156 16.967 -29.535 1.00 54.13 H new ATOM 0 HZ3 LYS A 47 20.073 15.279 -29.369 1.00 54.13 H new ATOM 776 N VAL A 48 20.119 14.402 -23.884 1.00 43.10 N ATOM 777 CA VAL A 48 19.250 13.305 -24.292 1.00 53.44 C ATOM 778 C VAL A 48 18.508 12.718 -23.097 1.00 62.30 C ATOM 779 O VAL A 48 18.047 11.576 -23.139 1.00 45.33 O ATOM 780 CB VAL A 48 20.047 12.186 -24.989 1.00 11.52 C ATOM 781 CG1 VAL A 48 19.117 11.287 -25.789 1.00 43.12 C ATOM 782 CG2 VAL A 48 21.128 12.779 -25.881 1.00 33.35 C ATOM 0 H VAL A 48 20.987 14.108 -23.436 1.00 43.10 H new ATOM 0 HA VAL A 48 18.528 13.718 -24.996 1.00 53.44 H new ATOM 0 HB VAL A 48 20.532 11.578 -24.225 1.00 11.52 H new ATOM 0 HG11 VAL A 48 19.698 10.503 -26.274 1.00 43.12 H new ATOM 0 HG12 VAL A 48 18.384 10.835 -25.121 1.00 43.12 H new ATOM 0 HG13 VAL A 48 18.602 11.878 -26.546 1.00 43.12 H new ATOM 0 HG21 VAL A 48 21.681 11.975 -26.366 1.00 33.35 H new ATOM 0 HG22 VAL A 48 20.667 13.411 -26.640 1.00 33.35 H new ATOM 0 HG23 VAL A 48 21.811 13.377 -25.277 1.00 33.35 H new ATOM 792 N CYS A 49 18.396 13.504 -22.033 1.00 1.34 N ATOM 793 CA CYS A 49 17.710 13.062 -20.824 1.00 20.13 C ATOM 794 C CYS A 49 18.422 11.865 -20.202 1.00 33.21 C ATOM 795 O CYS A 49 19.209 11.174 -20.850 1.00 12.25 O ATOM 796 CB CYS A 49 16.258 12.700 -21.140 1.00 22.21 C ATOM 797 SG CYS A 49 15.059 13.962 -20.652 1.00 44.52 S ATOM 0 H CYS A 49 18.771 14.451 -21.982 1.00 1.34 H new ATOM 0 HA CYS A 49 17.724 13.883 -20.107 1.00 20.13 H new ATOM 0 HB2 CYS A 49 16.165 12.520 -22.211 1.00 22.21 H new ATOM 0 HB3 CYS A 49 16.010 11.765 -20.637 1.00 22.21 H new ATOM 0 HG CYS A 49 13.878 13.426 -20.561 1.00 44.52 H new ATOM 803 N PRO A 50 18.141 11.613 -18.915 1.00 24.43 N ATOM 804 CA PRO A 50 18.745 10.499 -18.176 1.00 42.45 C ATOM 805 C PRO A 50 18.237 9.143 -18.654 1.00 42.55 C ATOM 806 O PRO A 50 17.438 8.497 -17.979 1.00 72.42 O ATOM 807 CB PRO A 50 18.310 10.754 -16.731 1.00 52.53 C ATOM 808 CG PRO A 50 17.054 11.548 -16.848 1.00 63.14 C ATOM 809 CD PRO A 50 17.213 12.394 -18.081 1.00 51.50 C ATOM 0 HA PRO A 50 19.826 10.460 -18.309 1.00 42.45 H new ATOM 0 HB2 PRO A 50 18.139 9.819 -16.198 1.00 52.53 H new ATOM 0 HB3 PRO A 50 19.074 11.301 -16.178 1.00 52.53 H new ATOM 0 HG2 PRO A 50 16.186 10.895 -16.932 1.00 63.14 H new ATOM 0 HG3 PRO A 50 16.901 12.169 -15.965 1.00 63.14 H new ATOM 0 HD2 PRO A 50 16.259 12.554 -18.584 1.00 51.50 H new ATOM 0 HD3 PRO A 50 17.618 13.378 -17.844 1.00 51.50 H new ATOM 817 N ASN A 51 18.707 8.719 -19.823 1.00 41.00 N ATOM 818 CA ASN A 51 18.300 7.439 -20.391 1.00 53.13 C ATOM 819 C ASN A 51 16.814 7.446 -20.737 1.00 72.05 C ATOM 820 O ASN A 51 16.003 8.040 -20.026 1.00 61.33 O ATOM 821 CB ASN A 51 18.601 6.303 -19.412 1.00 3.45 C ATOM 822 CG ASN A 51 20.024 6.352 -18.890 1.00 5.41 C ATOM 823 OD1 ASN A 51 20.260 6.250 -17.686 1.00 10.31 O ATOM 824 ND2 ASN A 51 20.982 6.510 -19.797 1.00 33.32 N ATOM 0 H ASN A 51 19.370 9.243 -20.395 1.00 41.00 H new ATOM 0 HA ASN A 51 18.868 7.280 -21.307 1.00 53.13 H new ATOM 0 HB2 ASN A 51 17.907 6.356 -18.573 1.00 3.45 H new ATOM 0 HB3 ASN A 51 18.431 5.346 -19.906 1.00 3.45 H new ATOM 0 HD21 ASN A 51 21.959 6.551 -19.505 1.00 33.32 H new ATOM 0 HD22 ASN A 51 20.741 6.590 -20.785 1.00 33.32 H new ATOM 831 N ARG A 52 16.464 6.781 -21.834 1.00 3.40 N ATOM 832 CA ARG A 52 15.076 6.711 -22.275 1.00 44.20 C ATOM 833 C ARG A 52 14.794 5.383 -22.971 1.00 35.25 C ATOM 834 O ARG A 52 13.827 5.259 -23.724 1.00 63.21 O ATOM 835 CB ARG A 52 14.760 7.872 -23.220 1.00 62.44 C ATOM 836 CG ARG A 52 15.194 9.227 -22.687 1.00 52.22 C ATOM 837 CD ARG A 52 14.982 10.325 -23.718 1.00 12.02 C ATOM 838 NE ARG A 52 14.208 11.440 -23.178 1.00 43.23 N ATOM 839 CZ ARG A 52 13.553 12.314 -23.934 1.00 71.15 C ATOM 840 NH1 ARG A 52 13.577 12.202 -25.255 1.00 70.34 N ATOM 841 NH2 ARG A 52 12.871 13.302 -23.369 1.00 41.04 N ATOM 0 H ARG A 52 17.123 6.283 -22.433 1.00 3.40 H new ATOM 0 HA ARG A 52 14.437 6.784 -21.395 1.00 44.20 H new ATOM 0 HB2 ARG A 52 15.250 7.694 -24.177 1.00 62.44 H new ATOM 0 HB3 ARG A 52 13.687 7.893 -23.410 1.00 62.44 H new ATOM 0 HG2 ARG A 52 14.631 9.461 -21.783 1.00 52.22 H new ATOM 0 HG3 ARG A 52 16.246 9.189 -22.406 1.00 52.22 H new ATOM 0 HD2 ARG A 52 15.949 10.689 -24.064 1.00 12.02 H new ATOM 0 HD3 ARG A 52 14.467 9.913 -24.586 1.00 12.02 H new ATOM 0 HE ARG A 52 14.168 11.554 -22.165 1.00 43.23 H new ATOM 0 HH11 ARG A 52 14.099 11.443 -25.693 1.00 70.34 H new ATOM 0 HH12 ARG A 52 13.073 12.875 -25.833 1.00 70.34 H new ATOM 0 HH21 ARG A 52 12.849 13.391 -22.353 1.00 41.04 H new ATOM 0 HH22 ARG A 52 12.368 13.973 -23.951 1.00 41.04 H new ATOM 855 N CYS A 53 15.642 4.394 -22.713 1.00 20.20 N ATOM 856 CA CYS A 53 15.484 3.075 -23.315 1.00 63.32 C ATOM 857 C CYS A 53 14.697 2.148 -22.395 1.00 72.41 C ATOM 858 O CYS A 53 13.513 1.895 -22.618 1.00 32.51 O ATOM 859 CB CYS A 53 16.853 2.465 -23.624 1.00 15.12 C ATOM 860 SG CYS A 53 17.812 3.387 -24.848 1.00 4.35 S ATOM 0 H CYS A 53 16.446 4.480 -22.091 1.00 20.20 H new ATOM 0 HA CYS A 53 14.928 3.192 -24.245 1.00 63.32 H new ATOM 0 HB2 CYS A 53 17.428 2.402 -22.700 1.00 15.12 H new ATOM 0 HB3 CYS A 53 16.712 1.445 -23.982 1.00 15.12 H new ATOM 0 HG CYS A 53 19.078 3.143 -24.681 1.00 4.35 H new ATOM 866 N ASP A 54 15.362 1.643 -21.362 1.00 44.01 N ATOM 867 CA ASP A 54 14.725 0.743 -20.408 1.00 22.11 C ATOM 868 C ASP A 54 15.719 0.286 -19.345 1.00 1.25 C ATOM 869 O ASP A 54 15.678 0.747 -18.203 1.00 25.32 O ATOM 870 CB ASP A 54 14.140 -0.471 -21.132 1.00 0.24 C ATOM 871 CG ASP A 54 12.625 -0.496 -21.087 1.00 72.14 C ATOM 872 OD1 ASP A 54 12.017 0.587 -20.961 1.00 2.31 O ATOM 873 OD2 ASP A 54 12.047 -1.600 -21.179 1.00 14.55 O ATOM 0 H ASP A 54 16.343 1.842 -21.164 1.00 44.01 H new ATOM 0 HA ASP A 54 13.918 1.287 -19.916 1.00 22.11 H new ATOM 0 HB2 ASP A 54 14.470 -0.465 -22.171 1.00 0.24 H new ATOM 0 HB3 ASP A 54 14.529 -1.383 -20.679 1.00 0.24 H new ATOM 878 N LEU A 55 16.610 -0.622 -19.726 1.00 71.31 N ATOM 879 CA LEU A 55 17.614 -1.143 -18.805 1.00 45.12 C ATOM 880 C LEU A 55 18.590 -0.047 -18.388 1.00 24.41 C ATOM 881 O LEU A 55 19.339 -0.204 -17.424 1.00 43.21 O ATOM 882 CB LEU A 55 18.376 -2.301 -19.452 1.00 22.12 C ATOM 883 CG LEU A 55 18.645 -2.173 -20.952 1.00 31.53 C ATOM 884 CD1 LEU A 55 19.295 -0.835 -21.266 1.00 22.05 C ATOM 885 CD2 LEU A 55 19.520 -3.320 -21.436 1.00 71.33 C ATOM 0 H LEU A 55 16.658 -1.013 -20.667 1.00 71.31 H new ATOM 0 HA LEU A 55 17.101 -1.506 -17.914 1.00 45.12 H new ATOM 0 HB2 LEU A 55 19.332 -2.412 -18.940 1.00 22.12 H new ATOM 0 HB3 LEU A 55 17.815 -3.220 -19.281 1.00 22.12 H new ATOM 0 HG LEU A 55 17.692 -2.222 -21.478 1.00 31.53 H new ATOM 0 HD11 LEU A 55 19.479 -0.762 -22.338 1.00 22.05 H new ATOM 0 HD12 LEU A 55 18.632 -0.027 -20.956 1.00 22.05 H new ATOM 0 HD13 LEU A 55 20.241 -0.755 -20.730 1.00 22.05 H new ATOM 0 HD21 LEU A 55 19.701 -3.213 -22.505 1.00 71.33 H new ATOM 0 HD22 LEU A 55 20.471 -3.302 -20.903 1.00 71.33 H new ATOM 0 HD23 LEU A 55 19.016 -4.267 -21.247 1.00 71.33 H new ATOM 897 N ALA A 56 18.574 1.062 -19.119 1.00 43.22 N ATOM 898 CA ALA A 56 19.455 2.185 -18.822 1.00 54.54 C ATOM 899 C ALA A 56 18.780 3.178 -17.882 1.00 12.20 C ATOM 900 O ALA A 56 19.444 3.858 -17.099 1.00 11.21 O ATOM 901 CB ALA A 56 19.878 2.879 -20.109 1.00 71.51 C ATOM 0 H ALA A 56 17.961 1.207 -19.921 1.00 43.22 H new ATOM 0 HA ALA A 56 20.342 1.796 -18.323 1.00 54.54 H new ATOM 0 HB1 ALA A 56 20.535 3.715 -19.872 1.00 71.51 H new ATOM 0 HB2 ALA A 56 20.407 2.171 -20.747 1.00 71.51 H new ATOM 0 HB3 ALA A 56 18.995 3.248 -20.631 1.00 71.51 H new ATOM 907 N THR A 57 17.455 3.258 -17.964 1.00 62.02 N ATOM 908 CA THR A 57 16.691 4.169 -17.122 1.00 14.01 C ATOM 909 C THR A 57 16.499 3.595 -15.723 1.00 24.31 C ATOM 910 O THR A 57 16.443 4.334 -14.741 1.00 30.13 O ATOM 911 CB THR A 57 15.310 4.473 -17.733 1.00 13.43 C ATOM 912 OG1 THR A 57 15.467 5.129 -18.996 1.00 55.10 O ATOM 913 CG2 THR A 57 14.486 5.349 -16.800 1.00 25.10 C ATOM 0 H THR A 57 16.889 2.702 -18.606 1.00 62.02 H new ATOM 0 HA THR A 57 17.264 5.094 -17.057 1.00 14.01 H new ATOM 0 HB THR A 57 14.785 3.529 -17.877 1.00 13.43 H new ATOM 0 HG1 THR A 57 14.696 4.929 -19.567 1.00 55.10 H new ATOM 0 HG21 THR A 57 13.515 5.550 -17.253 1.00 25.10 H new ATOM 0 HG22 THR A 57 14.343 4.835 -15.850 1.00 25.10 H new ATOM 0 HG23 THR A 57 15.008 6.290 -16.629 1.00 25.10 H new ATOM 921 N ALA A 58 16.401 2.272 -15.640 1.00 31.03 N ATOM 922 CA ALA A 58 16.219 1.599 -14.360 1.00 32.52 C ATOM 923 C ALA A 58 17.556 1.379 -13.660 1.00 33.01 C ATOM 924 O ALA A 58 17.679 1.594 -12.454 1.00 74.25 O ATOM 925 CB ALA A 58 15.501 0.272 -14.559 1.00 30.11 C ATOM 0 H ALA A 58 16.445 1.646 -16.444 1.00 31.03 H new ATOM 0 HA ALA A 58 15.607 2.239 -13.725 1.00 32.52 H new ATOM 0 HB1 ALA A 58 15.372 -0.220 -13.595 1.00 30.11 H new ATOM 0 HB2 ALA A 58 14.524 0.451 -15.009 1.00 30.11 H new ATOM 0 HB3 ALA A 58 16.092 -0.366 -15.216 1.00 30.11 H new ATOM 931 N ALA A 59 18.555 0.949 -14.424 1.00 13.22 N ATOM 932 CA ALA A 59 19.883 0.702 -13.877 1.00 31.23 C ATOM 933 C ALA A 59 20.532 1.998 -13.403 1.00 35.03 C ATOM 934 O ALA A 59 21.238 2.017 -12.394 1.00 55.43 O ATOM 935 CB ALA A 59 20.762 0.018 -14.913 1.00 72.14 C ATOM 0 H ALA A 59 18.469 0.765 -15.424 1.00 13.22 H new ATOM 0 HA ALA A 59 19.776 0.043 -13.015 1.00 31.23 H new ATOM 0 HB1 ALA A 59 21.751 -0.160 -14.491 1.00 72.14 H new ATOM 0 HB2 ALA A 59 20.313 -0.933 -15.200 1.00 72.14 H new ATOM 0 HB3 ALA A 59 20.853 0.656 -15.792 1.00 72.14 H new ATOM 941 N ASP A 60 20.288 3.078 -14.136 1.00 42.43 N ATOM 942 CA ASP A 60 20.849 4.380 -13.790 1.00 73.54 C ATOM 943 C ASP A 60 20.149 4.965 -12.567 1.00 64.44 C ATOM 944 O ASP A 60 20.796 5.505 -11.670 1.00 51.51 O ATOM 945 CB ASP A 60 20.726 5.342 -14.973 1.00 11.13 C ATOM 946 CG ASP A 60 21.408 6.671 -14.711 1.00 31.52 C ATOM 947 OD1 ASP A 60 22.159 6.767 -13.717 1.00 70.35 O ATOM 948 OD2 ASP A 60 21.191 7.614 -15.500 1.00 22.23 O ATOM 0 H ASP A 60 19.706 3.079 -14.973 1.00 42.43 H new ATOM 0 HA ASP A 60 21.904 4.243 -13.551 1.00 73.54 H new ATOM 0 HB2 ASP A 60 21.162 4.881 -15.859 1.00 11.13 H new ATOM 0 HB3 ASP A 60 19.672 5.514 -15.190 1.00 11.13 H new ATOM 953 N ARG A 61 18.825 4.853 -12.539 1.00 43.45 N ATOM 954 CA ARG A 61 18.038 5.373 -11.428 1.00 2.41 C ATOM 955 C ARG A 61 18.556 4.837 -10.097 1.00 23.42 C ATOM 956 O ARG A 61 18.631 5.566 -9.109 1.00 1.42 O ATOM 957 CB ARG A 61 16.564 5.002 -11.601 1.00 24.20 C ATOM 958 CG ARG A 61 15.661 6.197 -11.856 1.00 12.12 C ATOM 959 CD ARG A 61 16.122 6.997 -13.064 1.00 70.53 C ATOM 960 NE ARG A 61 16.915 8.161 -12.680 1.00 40.10 N ATOM 961 CZ ARG A 61 16.385 9.309 -12.273 1.00 41.33 C ATOM 962 NH1 ARG A 61 15.068 9.446 -12.198 1.00 25.32 N ATOM 963 NH2 ARG A 61 17.173 10.324 -11.940 1.00 72.15 N ATOM 0 H ARG A 61 18.275 4.407 -13.273 1.00 43.45 H new ATOM 0 HA ARG A 61 18.134 6.459 -11.425 1.00 2.41 H new ATOM 0 HB2 ARG A 61 16.469 4.302 -12.431 1.00 24.20 H new ATOM 0 HB3 ARG A 61 16.221 4.483 -10.706 1.00 24.20 H new ATOM 0 HG2 ARG A 61 14.638 5.854 -12.014 1.00 12.12 H new ATOM 0 HG3 ARG A 61 15.649 6.840 -10.976 1.00 12.12 H new ATOM 0 HD2 ARG A 61 16.712 6.356 -13.719 1.00 70.53 H new ATOM 0 HD3 ARG A 61 15.253 7.323 -13.636 1.00 70.53 H new ATOM 0 HE ARG A 61 17.931 8.089 -12.727 1.00 40.10 H new ATOM 0 HH11 ARG A 61 14.459 8.669 -12.453 1.00 25.32 H new ATOM 0 HH12 ARG A 61 14.664 10.329 -11.885 1.00 25.32 H new ATOM 0 HH21 ARG A 61 18.186 10.223 -11.997 1.00 72.15 H new ATOM 0 HH22 ARG A 61 16.765 11.205 -11.628 1.00 72.15 H new ATOM 977 N ALA A 62 18.912 3.556 -10.079 1.00 42.33 N ATOM 978 CA ALA A 62 19.424 2.922 -8.871 1.00 4.32 C ATOM 979 C ALA A 62 20.922 3.167 -8.715 1.00 75.50 C ATOM 980 O ALA A 62 21.390 3.547 -7.643 1.00 15.45 O ATOM 981 CB ALA A 62 19.131 1.430 -8.893 1.00 33.51 C ATOM 0 H ALA A 62 18.855 2.937 -10.888 1.00 42.33 H new ATOM 0 HA ALA A 62 18.918 3.368 -8.014 1.00 4.32 H new ATOM 0 HB1 ALA A 62 19.519 0.970 -7.984 1.00 33.51 H new ATOM 0 HB2 ALA A 62 18.054 1.271 -8.949 1.00 33.51 H new ATOM 0 HB3 ALA A 62 19.610 0.978 -9.762 1.00 33.51 H new ATOM 987 N ALA A 63 21.668 2.944 -9.792 1.00 12.10 N ATOM 988 CA ALA A 63 23.112 3.142 -9.775 1.00 31.53 C ATOM 989 C ALA A 63 23.470 4.534 -9.268 1.00 14.54 C ATOM 990 O ALA A 63 24.551 4.749 -8.720 1.00 65.33 O ATOM 991 CB ALA A 63 23.692 2.918 -11.164 1.00 12.35 C ATOM 0 H ALA A 63 21.296 2.626 -10.687 1.00 12.10 H new ATOM 0 HA ALA A 63 23.545 2.413 -9.090 1.00 31.53 H new ATOM 0 HB1 ALA A 63 24.771 3.069 -11.136 1.00 12.35 H new ATOM 0 HB2 ALA A 63 23.476 1.900 -11.488 1.00 12.35 H new ATOM 0 HB3 ALA A 63 23.244 3.624 -11.863 1.00 12.35 H new ATOM 997 N LYS A 64 22.554 5.480 -9.454 1.00 25.35 N ATOM 998 CA LYS A 64 22.772 6.853 -9.015 1.00 2.03 C ATOM 999 C LYS A 64 23.029 6.910 -7.512 1.00 71.12 C ATOM 1000 O LYS A 64 23.585 7.882 -7.004 1.00 41.51 O ATOM 1001 CB LYS A 64 21.563 7.721 -9.369 1.00 50.34 C ATOM 1002 CG LYS A 64 21.542 8.172 -10.820 1.00 23.12 C ATOM 1003 CD LYS A 64 21.740 9.674 -10.940 1.00 71.30 C ATOM 1004 CE LYS A 64 23.090 10.104 -10.388 1.00 44.14 C ATOM 1005 NZ LYS A 64 23.788 11.048 -11.304 1.00 44.25 N ATOM 0 H LYS A 64 21.654 5.320 -9.906 1.00 25.35 H new ATOM 0 HA LYS A 64 23.652 7.237 -9.531 1.00 2.03 H new ATOM 0 HB2 LYS A 64 20.651 7.163 -9.158 1.00 50.34 H new ATOM 0 HB3 LYS A 64 21.556 8.600 -8.724 1.00 50.34 H new ATOM 0 HG2 LYS A 64 22.326 7.655 -11.374 1.00 23.12 H new ATOM 0 HG3 LYS A 64 20.592 7.892 -11.275 1.00 23.12 H new ATOM 0 HD2 LYS A 64 21.663 9.970 -11.986 1.00 71.30 H new ATOM 0 HD3 LYS A 64 20.945 10.191 -10.403 1.00 71.30 H new ATOM 0 HE2 LYS A 64 22.951 10.577 -9.416 1.00 44.14 H new ATOM 0 HE3 LYS A 64 23.714 9.225 -10.228 1.00 44.14 H new ATOM 0 HZ1 LYS A 64 24.704 11.318 -10.892 1.00 44.25 H new ATOM 0 HZ2 LYS A 64 23.944 10.588 -12.224 1.00 44.25 H new ATOM 0 HZ3 LYS A 64 23.204 11.899 -11.437 1.00 44.25 H new ATOM 1019 N GLY A 65 22.621 5.860 -6.806 1.00 71.53 N ATOM 1020 CA GLY A 65 22.817 5.810 -5.369 1.00 50.12 C ATOM 1021 C GLY A 65 21.508 5.807 -4.605 1.00 72.42 C ATOM 1022 O GLY A 65 21.487 6.034 -3.396 1.00 34.31 O ATOM 0 H GLY A 65 22.158 5.043 -7.204 1.00 71.53 H new ATOM 0 HA2 GLY A 65 23.385 4.915 -5.114 1.00 50.12 H new ATOM 0 HA3 GLY A 65 23.414 6.667 -5.057 1.00 50.12 H new ATOM 1026 N ALA A 66 20.412 5.550 -5.312 1.00 64.35 N ATOM 1027 CA ALA A 66 19.093 5.517 -4.693 1.00 43.41 C ATOM 1028 C ALA A 66 18.861 6.754 -3.832 1.00 12.22 C ATOM 1029 O ALA A 66 18.767 6.661 -2.608 1.00 12.33 O ATOM 1030 CB ALA A 66 18.932 4.254 -3.861 1.00 11.13 C ATOM 0 H ALA A 66 20.412 5.362 -6.314 1.00 64.35 H new ATOM 0 HA ALA A 66 18.346 5.513 -5.486 1.00 43.41 H new ATOM 0 HB1 ALA A 66 17.942 4.243 -3.405 1.00 11.13 H new ATOM 0 HB2 ALA A 66 19.046 3.379 -4.501 1.00 11.13 H new ATOM 0 HB3 ALA A 66 19.692 4.234 -3.080 1.00 11.13 H new ATOM 1036 N TYR A 67 18.770 7.911 -4.478 1.00 73.14 N ATOM 1037 CA TYR A 67 18.551 9.167 -3.771 1.00 24.12 C ATOM 1038 C TYR A 67 17.389 9.045 -2.790 1.00 24.43 C ATOM 1039 O TYR A 67 17.386 9.673 -1.732 1.00 23.10 O ATOM 1040 CB TYR A 67 18.277 10.296 -4.766 1.00 32.14 C ATOM 1041 CG TYR A 67 19.231 11.462 -4.637 1.00 34.05 C ATOM 1042 CD1 TYR A 67 19.341 12.165 -3.443 1.00 42.43 C ATOM 1043 CD2 TYR A 67 20.020 11.861 -5.708 1.00 24.14 C ATOM 1044 CE1 TYR A 67 20.211 13.232 -3.321 1.00 32.13 C ATOM 1045 CE2 TYR A 67 20.894 12.925 -5.594 1.00 12.23 C ATOM 1046 CZ TYR A 67 20.985 13.608 -4.399 1.00 22.45 C ATOM 1047 OH TYR A 67 21.853 14.669 -4.281 1.00 51.25 O ATOM 0 H TYR A 67 18.845 8.005 -5.491 1.00 73.14 H new ATOM 0 HA TYR A 67 19.455 9.400 -3.208 1.00 24.12 H new ATOM 0 HB2 TYR A 67 18.337 9.899 -5.779 1.00 32.14 H new ATOM 0 HB3 TYR A 67 17.257 10.654 -4.624 1.00 32.14 H new ATOM 0 HD1 TYR A 67 18.737 11.873 -2.597 1.00 42.43 H new ATOM 0 HD2 TYR A 67 19.949 11.330 -6.646 1.00 24.14 H new ATOM 0 HE1 TYR A 67 20.284 13.769 -2.387 1.00 32.13 H new ATOM 0 HE2 TYR A 67 21.503 13.220 -6.436 1.00 12.23 H new ATOM 0 HH TYR A 67 22.324 14.803 -5.130 1.00 51.25 H new ATOM 1057 N GLY A 68 16.403 8.229 -3.149 1.00 53.15 N ATOM 1058 CA GLY A 68 15.248 8.038 -2.291 1.00 64.51 C ATOM 1059 C GLY A 68 14.359 9.264 -2.233 1.00 71.44 C ATOM 1060 O GLY A 68 14.309 10.048 -3.181 1.00 71.12 O ATOM 0 H GLY A 68 16.383 7.697 -4.019 1.00 53.15 H new ATOM 0 HA2 GLY A 68 14.668 7.189 -2.652 1.00 64.51 H new ATOM 0 HA3 GLY A 68 15.584 7.789 -1.284 1.00 64.51 H new ATOM 1064 N TYR A 69 13.654 9.429 -1.120 1.00 31.11 N ATOM 1065 CA TYR A 69 12.758 10.566 -0.944 1.00 45.10 C ATOM 1066 C TYR A 69 11.749 10.646 -2.085 1.00 13.11 C ATOM 1067 O TYR A 69 11.962 11.354 -3.070 1.00 24.54 O ATOM 1068 CB TYR A 69 13.561 11.866 -0.866 1.00 15.30 C ATOM 1069 CG TYR A 69 12.896 12.939 -0.033 1.00 30.45 C ATOM 1070 CD1 TYR A 69 12.469 12.675 1.263 1.00 74.52 C ATOM 1071 CD2 TYR A 69 12.696 14.217 -0.540 1.00 63.55 C ATOM 1072 CE1 TYR A 69 11.860 13.651 2.027 1.00 3.13 C ATOM 1073 CE2 TYR A 69 12.090 15.200 0.217 1.00 22.24 C ATOM 1074 CZ TYR A 69 11.674 14.912 1.500 1.00 14.14 C ATOM 1075 OH TYR A 69 11.069 15.888 2.259 1.00 3.04 O ATOM 0 H TYR A 69 13.685 8.790 -0.326 1.00 31.11 H new ATOM 0 HA TYR A 69 12.213 10.426 -0.011 1.00 45.10 H new ATOM 0 HB2 TYR A 69 14.545 11.651 -0.449 1.00 15.30 H new ATOM 0 HB3 TYR A 69 13.719 12.247 -1.875 1.00 15.30 H new ATOM 0 HD1 TYR A 69 12.616 11.690 1.680 1.00 74.52 H new ATOM 0 HD2 TYR A 69 13.020 14.446 -1.544 1.00 63.55 H new ATOM 0 HE1 TYR A 69 11.531 13.428 3.031 1.00 3.13 H new ATOM 0 HE2 TYR A 69 11.943 16.188 -0.193 1.00 22.24 H new ATOM 0 HH TYR A 69 11.015 16.718 1.741 1.00 3.04 H new ATOM 1085 N ASP A 70 10.648 9.916 -1.944 1.00 30.10 N ATOM 1086 CA ASP A 70 9.603 9.904 -2.961 1.00 12.11 C ATOM 1087 C ASP A 70 8.222 9.815 -2.320 1.00 34.25 C ATOM 1088 O ASP A 70 7.989 8.991 -1.435 1.00 15.35 O ATOM 1089 CB ASP A 70 9.809 8.732 -3.922 1.00 5.14 C ATOM 1090 CG ASP A 70 9.704 9.150 -5.375 1.00 64.42 C ATOM 1091 OD1 ASP A 70 8.853 10.009 -5.686 1.00 2.30 O ATOM 1092 OD2 ASP A 70 10.474 8.617 -6.202 1.00 51.30 O ATOM 0 H ASP A 70 10.456 9.325 -1.135 1.00 30.10 H new ATOM 0 HA ASP A 70 9.665 10.837 -3.521 1.00 12.11 H new ATOM 0 HB2 ASP A 70 10.789 8.288 -3.744 1.00 5.14 H new ATOM 0 HB3 ASP A 70 9.067 7.961 -3.714 1.00 5.14 H new ATOM 1097 N VAL A 71 7.309 10.669 -2.771 1.00 75.23 N ATOM 1098 CA VAL A 71 5.950 10.687 -2.242 1.00 21.52 C ATOM 1099 C VAL A 71 5.086 9.623 -2.910 1.00 51.32 C ATOM 1100 O VAL A 71 3.979 9.335 -2.456 1.00 70.44 O ATOM 1101 CB VAL A 71 5.290 12.065 -2.435 1.00 64.21 C ATOM 1102 CG1 VAL A 71 5.038 12.334 -3.911 1.00 32.22 C ATOM 1103 CG2 VAL A 71 3.997 12.152 -1.640 1.00 34.12 C ATOM 0 H VAL A 71 7.486 11.358 -3.502 1.00 75.23 H new ATOM 0 HA VAL A 71 6.023 10.474 -1.175 1.00 21.52 H new ATOM 0 HB VAL A 71 5.971 12.830 -2.062 1.00 64.21 H new ATOM 0 HG11 VAL A 71 4.571 13.312 -4.028 1.00 32.22 H new ATOM 0 HG12 VAL A 71 5.985 12.317 -4.451 1.00 32.22 H new ATOM 0 HG13 VAL A 71 4.377 11.566 -4.313 1.00 32.22 H new ATOM 0 HG21 VAL A 71 3.544 13.132 -1.788 1.00 34.12 H new ATOM 0 HG22 VAL A 71 3.308 11.379 -1.980 1.00 34.12 H new ATOM 0 HG23 VAL A 71 4.211 12.007 -0.581 1.00 34.12 H new ATOM 1113 N GLN A 72 5.600 9.044 -3.991 1.00 13.25 N ATOM 1114 CA GLN A 72 4.874 8.012 -4.722 1.00 11.33 C ATOM 1115 C GLN A 72 5.718 7.461 -5.866 1.00 74.33 C ATOM 1116 O GLN A 72 5.204 7.178 -6.950 1.00 22.34 O ATOM 1117 CB GLN A 72 3.559 8.573 -5.266 1.00 33.41 C ATOM 1118 CG GLN A 72 2.383 7.622 -5.112 1.00 74.24 C ATOM 1119 CD GLN A 72 2.473 6.427 -6.042 1.00 14.44 C ATOM 1120 OE1 GLN A 72 1.729 6.329 -7.018 1.00 62.43 O ATOM 1121 NE2 GLN A 72 3.386 5.511 -5.742 1.00 42.51 N ATOM 0 H GLN A 72 6.515 9.272 -4.379 1.00 13.25 H new ATOM 0 HA GLN A 72 4.655 7.198 -4.031 1.00 11.33 H new ATOM 0 HB2 GLN A 72 3.331 9.506 -4.751 1.00 33.41 H new ATOM 0 HB3 GLN A 72 3.685 8.814 -6.322 1.00 33.41 H new ATOM 0 HG2 GLN A 72 2.336 7.272 -4.081 1.00 74.24 H new ATOM 0 HG3 GLN A 72 1.456 8.161 -5.308 1.00 74.24 H new ATOM 0 HE21 GLN A 72 3.981 5.633 -4.923 1.00 42.51 H new ATOM 0 HE22 GLN A 72 3.492 4.685 -6.331 1.00 42.51 H new ATOM 1130 N LEU A 73 7.014 7.311 -5.620 1.00 22.43 N ATOM 1131 CA LEU A 73 7.930 6.793 -6.630 1.00 63.12 C ATOM 1132 C LEU A 73 7.774 7.549 -7.945 1.00 42.35 C ATOM 1133 O LEU A 73 7.767 6.951 -9.022 1.00 33.01 O ATOM 1134 CB LEU A 73 7.682 5.300 -6.855 1.00 4.24 C ATOM 1135 CG LEU A 73 7.861 4.399 -5.632 1.00 73.02 C ATOM 1136 CD1 LEU A 73 9.108 4.793 -4.856 1.00 34.11 C ATOM 1137 CD2 LEU A 73 6.631 4.464 -4.738 1.00 71.52 C ATOM 0 H LEU A 73 7.455 7.541 -4.729 1.00 22.43 H new ATOM 0 HA LEU A 73 8.948 6.935 -6.268 1.00 63.12 H new ATOM 0 HB2 LEU A 73 6.666 5.173 -7.230 1.00 4.24 H new ATOM 0 HB3 LEU A 73 8.356 4.954 -7.638 1.00 4.24 H new ATOM 0 HG LEU A 73 7.982 3.372 -5.976 1.00 73.02 H new ATOM 0 HD11 LEU A 73 9.219 4.141 -3.990 1.00 34.11 H new ATOM 0 HD12 LEU A 73 9.983 4.694 -5.499 1.00 34.11 H new ATOM 0 HD13 LEU A 73 9.018 5.827 -4.523 1.00 34.11 H new ATOM 0 HD21 LEU A 73 6.775 3.817 -3.873 1.00 71.52 H new ATOM 0 HD22 LEU A 73 6.479 5.490 -4.403 1.00 71.52 H new ATOM 0 HD23 LEU A 73 5.757 4.132 -5.297 1.00 71.52 H new ATOM 1149 N THR A 74 7.652 8.870 -7.852 1.00 34.20 N ATOM 1150 CA THR A 74 7.497 9.709 -9.034 1.00 30.33 C ATOM 1151 C THR A 74 8.695 9.571 -9.966 1.00 2.51 C ATOM 1152 O THR A 74 8.593 9.824 -11.167 1.00 64.00 O ATOM 1153 CB THR A 74 7.325 11.191 -8.652 1.00 21.02 C ATOM 1154 OG1 THR A 74 6.848 11.935 -9.778 1.00 73.14 O ATOM 1155 CG2 THR A 74 8.641 11.781 -8.169 1.00 1.45 C ATOM 0 H THR A 74 7.658 9.382 -6.970 1.00 34.20 H new ATOM 0 HA THR A 74 6.599 9.368 -9.549 1.00 30.33 H new ATOM 0 HB THR A 74 6.598 11.253 -7.842 1.00 21.02 H new ATOM 0 HG1 THR A 74 6.740 12.876 -9.526 1.00 73.14 H new ATOM 0 HG21 THR A 74 8.495 12.828 -7.905 1.00 1.45 H new ATOM 0 HG22 THR A 74 8.987 11.231 -7.294 1.00 1.45 H new ATOM 0 HG23 THR A 74 9.386 11.707 -8.962 1.00 1.45 H new ATOM 1163 N THR A 75 9.832 9.169 -9.406 1.00 71.00 N ATOM 1164 CA THR A 75 11.050 8.999 -10.187 1.00 64.43 C ATOM 1165 C THR A 75 10.903 7.865 -11.196 1.00 31.24 C ATOM 1166 O THR A 75 11.201 8.030 -12.379 1.00 43.12 O ATOM 1167 CB THR A 75 12.263 8.711 -9.282 1.00 33.52 C ATOM 1168 OG1 THR A 75 11.990 7.583 -8.442 1.00 62.13 O ATOM 1169 CG2 THR A 75 12.596 9.921 -8.422 1.00 35.40 C ATOM 0 H THR A 75 9.934 8.955 -8.414 1.00 71.00 H new ATOM 0 HA THR A 75 11.217 9.936 -10.719 1.00 64.43 H new ATOM 0 HB THR A 75 13.120 8.491 -9.919 1.00 33.52 H new ATOM 0 HG1 THR A 75 11.476 7.874 -7.660 1.00 62.13 H new ATOM 0 HG21 THR A 75 13.456 9.694 -7.792 1.00 35.40 H new ATOM 0 HG22 THR A 75 12.831 10.770 -9.064 1.00 35.40 H new ATOM 0 HG23 THR A 75 11.740 10.167 -7.794 1.00 35.40 H new ATOM 1177 N LEU A 76 10.441 6.714 -10.721 1.00 35.43 N ATOM 1178 CA LEU A 76 10.252 5.551 -11.582 1.00 4.22 C ATOM 1179 C LEU A 76 8.974 5.683 -12.403 1.00 40.35 C ATOM 1180 O LEU A 76 8.874 5.148 -13.508 1.00 4.03 O ATOM 1181 CB LEU A 76 10.203 4.273 -10.743 1.00 1.01 C ATOM 1182 CG LEU A 76 10.535 2.974 -11.479 1.00 15.15 C ATOM 1183 CD1 LEU A 76 12.028 2.694 -11.420 1.00 61.15 C ATOM 1184 CD2 LEU A 76 9.749 1.812 -10.889 1.00 73.10 C ATOM 0 H LEU A 76 10.190 6.561 -9.744 1.00 35.43 H new ATOM 0 HA LEU A 76 11.098 5.496 -12.267 1.00 4.22 H new ATOM 0 HB2 LEU A 76 10.897 4.383 -9.910 1.00 1.01 H new ATOM 0 HB3 LEU A 76 9.204 4.180 -10.316 1.00 1.01 H new ATOM 0 HG LEU A 76 10.249 3.087 -12.525 1.00 15.15 H new ATOM 0 HD11 LEU A 76 12.245 1.766 -11.949 1.00 61.15 H new ATOM 0 HD12 LEU A 76 12.571 3.515 -11.889 1.00 61.15 H new ATOM 0 HD13 LEU A 76 12.340 2.600 -10.380 1.00 61.15 H new ATOM 0 HD21 LEU A 76 9.997 0.896 -11.424 1.00 73.10 H new ATOM 0 HD22 LEU A 76 10.005 1.697 -9.836 1.00 73.10 H new ATOM 0 HD23 LEU A 76 8.681 2.010 -10.984 1.00 73.10 H new ATOM 1196 N LYS A 77 7.998 6.402 -11.858 1.00 62.33 N ATOM 1197 CA LYS A 77 6.727 6.608 -12.541 1.00 55.41 C ATOM 1198 C LYS A 77 6.880 7.604 -13.687 1.00 34.42 C ATOM 1199 O LYS A 77 6.274 7.442 -14.746 1.00 14.25 O ATOM 1200 CB LYS A 77 5.670 7.109 -11.554 1.00 52.40 C ATOM 1201 CG LYS A 77 4.321 6.427 -11.708 1.00 44.54 C ATOM 1202 CD LYS A 77 4.386 4.965 -11.300 1.00 11.44 C ATOM 1203 CE LYS A 77 4.662 4.814 -9.811 1.00 55.54 C ATOM 1204 NZ LYS A 77 6.059 4.374 -9.548 1.00 63.41 N ATOM 0 H LYS A 77 8.064 6.852 -10.945 1.00 62.33 H new ATOM 0 HA LYS A 77 6.406 5.652 -12.954 1.00 55.41 H new ATOM 0 HB2 LYS A 77 6.032 6.954 -10.538 1.00 52.40 H new ATOM 0 HB3 LYS A 77 5.542 8.183 -11.686 1.00 52.40 H new ATOM 0 HG2 LYS A 77 3.580 6.943 -11.098 1.00 44.54 H new ATOM 0 HG3 LYS A 77 3.990 6.502 -12.744 1.00 44.54 H new ATOM 0 HD2 LYS A 77 3.445 4.475 -11.548 1.00 11.44 H new ATOM 0 HD3 LYS A 77 5.168 4.462 -11.869 1.00 11.44 H new ATOM 0 HE2 LYS A 77 4.480 5.765 -9.310 1.00 55.54 H new ATOM 0 HE3 LYS A 77 3.967 4.091 -9.384 1.00 55.54 H new ATOM 0 HZ1 LYS A 77 6.075 3.744 -8.721 1.00 63.41 H new ATOM 0 HZ2 LYS A 77 6.425 3.865 -10.378 1.00 63.41 H new ATOM 0 HZ3 LYS A 77 6.655 5.205 -9.361 1.00 63.41 H new ATOM 1218 N GLU A 78 7.694 8.631 -13.468 1.00 23.04 N ATOM 1219 CA GLU A 78 7.926 9.651 -14.483 1.00 45.23 C ATOM 1220 C GLU A 78 8.883 9.141 -15.558 1.00 13.53 C ATOM 1221 O GLU A 78 8.850 9.599 -16.700 1.00 63.13 O ATOM 1222 CB GLU A 78 8.492 10.921 -13.843 1.00 35.22 C ATOM 1223 CG GLU A 78 8.518 12.116 -14.781 1.00 32.21 C ATOM 1224 CD GLU A 78 9.260 13.301 -14.195 1.00 65.01 C ATOM 1225 OE1 GLU A 78 10.410 13.115 -13.743 1.00 51.52 O ATOM 1226 OE2 GLU A 78 8.693 14.413 -14.188 1.00 51.13 O ATOM 0 H GLU A 78 8.204 8.779 -12.597 1.00 23.04 H new ATOM 0 HA GLU A 78 6.970 9.884 -14.952 1.00 45.23 H new ATOM 0 HB2 GLU A 78 7.896 11.172 -12.965 1.00 35.22 H new ATOM 0 HB3 GLU A 78 9.505 10.721 -13.494 1.00 35.22 H new ATOM 0 HG2 GLU A 78 8.989 11.826 -15.720 1.00 32.21 H new ATOM 0 HG3 GLU A 78 7.495 12.412 -15.015 1.00 32.21 H new ATOM 1233 N ASP A 79 9.733 8.192 -15.182 1.00 51.34 N ATOM 1234 CA ASP A 79 10.699 7.619 -16.113 1.00 15.21 C ATOM 1235 C ASP A 79 10.024 6.625 -17.052 1.00 73.44 C ATOM 1236 O ASP A 79 10.209 6.681 -18.268 1.00 63.44 O ATOM 1237 CB ASP A 79 11.829 6.930 -15.348 1.00 4.24 C ATOM 1238 CG ASP A 79 13.024 7.840 -15.137 1.00 30.30 C ATOM 1239 OD1 ASP A 79 13.770 8.073 -16.110 1.00 42.24 O ATOM 1240 OD2 ASP A 79 13.213 8.317 -13.998 1.00 41.24 O ATOM 0 H ASP A 79 9.773 7.803 -14.240 1.00 51.34 H new ATOM 0 HA ASP A 79 11.117 8.430 -16.710 1.00 15.21 H new ATOM 0 HB2 ASP A 79 11.457 6.594 -14.380 1.00 4.24 H new ATOM 0 HB3 ASP A 79 12.145 6.041 -15.894 1.00 4.24 H new ATOM 1245 N ILE A 80 9.242 5.715 -16.480 1.00 53.44 N ATOM 1246 CA ILE A 80 8.540 4.709 -17.267 1.00 33.20 C ATOM 1247 C ILE A 80 7.592 5.357 -18.270 1.00 14.53 C ATOM 1248 O ILE A 80 7.470 4.904 -19.408 1.00 23.02 O ATOM 1249 CB ILE A 80 7.739 3.749 -16.367 1.00 60.12 C ATOM 1250 CG1 ILE A 80 6.995 2.718 -17.219 1.00 23.02 C ATOM 1251 CG2 ILE A 80 6.764 4.528 -15.497 1.00 71.13 C ATOM 1252 CD1 ILE A 80 7.910 1.862 -18.067 1.00 32.02 C ATOM 0 H ILE A 80 9.079 5.654 -15.475 1.00 53.44 H new ATOM 0 HA ILE A 80 9.300 4.142 -17.804 1.00 33.20 H new ATOM 0 HB ILE A 80 8.434 3.220 -15.715 1.00 60.12 H new ATOM 0 HG12 ILE A 80 6.410 2.072 -16.565 1.00 23.02 H new ATOM 0 HG13 ILE A 80 6.290 3.236 -17.869 1.00 23.02 H new ATOM 0 HG21 ILE A 80 6.206 3.836 -14.867 1.00 71.13 H new ATOM 0 HG22 ILE A 80 7.316 5.227 -14.868 1.00 71.13 H new ATOM 0 HG23 ILE A 80 6.071 5.080 -16.132 1.00 71.13 H new ATOM 0 HD11 ILE A 80 7.315 1.154 -18.644 1.00 32.02 H new ATOM 0 HD12 ILE A 80 8.477 2.498 -18.747 1.00 32.02 H new ATOM 0 HD13 ILE A 80 8.598 1.316 -17.422 1.00 32.02 H new ATOM 1264 N ARG A 81 6.923 6.422 -17.840 1.00 14.42 N ATOM 1265 CA ARG A 81 5.985 7.134 -18.700 1.00 45.52 C ATOM 1266 C ARG A 81 6.727 7.926 -19.774 1.00 73.40 C ATOM 1267 O ARG A 81 6.227 8.102 -20.886 1.00 64.12 O ATOM 1268 CB ARG A 81 5.112 8.076 -17.869 1.00 41.44 C ATOM 1269 CG ARG A 81 5.864 9.277 -17.319 1.00 11.13 C ATOM 1270 CD ARG A 81 4.944 10.197 -16.531 1.00 42.24 C ATOM 1271 NE ARG A 81 3.870 10.738 -17.361 1.00 23.25 N ATOM 1272 CZ ARG A 81 2.984 11.628 -16.927 1.00 62.42 C ATOM 1273 NH1 ARG A 81 3.044 12.075 -15.680 1.00 61.35 N ATOM 1274 NH2 ARG A 81 2.036 12.072 -17.742 1.00 10.31 N ATOM 0 H ARG A 81 7.013 6.811 -16.901 1.00 14.42 H new ATOM 0 HA ARG A 81 5.348 6.397 -19.190 1.00 45.52 H new ATOM 0 HB2 ARG A 81 4.284 8.427 -18.484 1.00 41.44 H new ATOM 0 HB3 ARG A 81 4.678 7.518 -17.039 1.00 41.44 H new ATOM 0 HG2 ARG A 81 6.676 8.936 -16.677 1.00 11.13 H new ATOM 0 HG3 ARG A 81 6.318 9.831 -18.141 1.00 11.13 H new ATOM 0 HD2 ARG A 81 4.514 9.649 -15.693 1.00 42.24 H new ATOM 0 HD3 ARG A 81 5.525 11.017 -16.110 1.00 42.24 H new ATOM 0 HE ARG A 81 3.796 10.415 -18.326 1.00 23.25 H new ATOM 0 HH11 ARG A 81 3.772 11.736 -15.051 1.00 61.35 H new ATOM 0 HH12 ARG A 81 2.362 12.758 -15.350 1.00 61.35 H new ATOM 0 HH21 ARG A 81 1.987 11.730 -18.702 1.00 10.31 H new ATOM 0 HH22 ARG A 81 1.356 12.755 -17.409 1.00 10.31 H new ATOM 1288 N LEU A 82 7.920 8.400 -19.434 1.00 12.31 N ATOM 1289 CA LEU A 82 8.730 9.173 -20.368 1.00 45.45 C ATOM 1290 C LEU A 82 9.234 8.294 -21.509 1.00 2.33 C ATOM 1291 O LEU A 82 9.192 8.688 -22.674 1.00 30.21 O ATOM 1292 CB LEU A 82 9.914 9.812 -19.640 1.00 65.21 C ATOM 1293 CG LEU A 82 10.727 10.829 -20.442 1.00 54.13 C ATOM 1294 CD1 LEU A 82 11.654 10.122 -21.418 1.00 74.45 C ATOM 1295 CD2 LEU A 82 9.802 11.787 -21.180 1.00 64.42 C ATOM 0 H LEU A 82 8.348 8.263 -18.518 1.00 12.31 H new ATOM 0 HA LEU A 82 8.103 9.959 -20.789 1.00 45.45 H new ATOM 0 HB2 LEU A 82 9.540 10.303 -18.742 1.00 65.21 H new ATOM 0 HB3 LEU A 82 10.585 9.018 -19.313 1.00 65.21 H new ATOM 0 HG LEU A 82 11.337 11.406 -19.748 1.00 54.13 H new ATOM 0 HD11 LEU A 82 12.224 10.862 -21.980 1.00 74.45 H new ATOM 0 HD12 LEU A 82 12.339 9.478 -20.867 1.00 74.45 H new ATOM 0 HD13 LEU A 82 11.064 9.519 -22.108 1.00 74.45 H new ATOM 0 HD21 LEU A 82 10.397 12.504 -21.746 1.00 64.42 H new ATOM 0 HD22 LEU A 82 9.166 11.225 -21.863 1.00 64.42 H new ATOM 0 HD23 LEU A 82 9.180 12.319 -20.460 1.00 64.42 H new ATOM 1307 N MET A 83 9.709 7.102 -21.164 1.00 74.43 N ATOM 1308 CA MET A 83 10.217 6.165 -22.160 1.00 1.30 C ATOM 1309 C MET A 83 9.111 5.738 -23.120 1.00 10.25 C ATOM 1310 O MET A 83 9.255 5.849 -24.337 1.00 71.42 O ATOM 1311 CB MET A 83 10.817 4.936 -21.475 1.00 63.24 C ATOM 1312 CG MET A 83 12.019 5.253 -20.601 1.00 2.45 C ATOM 1313 SD MET A 83 12.698 3.790 -19.796 1.00 25.14 S ATOM 1314 CE MET A 83 11.964 3.927 -18.168 1.00 5.44 C ATOM 0 H MET A 83 9.753 6.762 -20.203 1.00 74.43 H new ATOM 0 HA MET A 83 10.995 6.669 -22.733 1.00 1.30 H new ATOM 0 HB2 MET A 83 10.050 4.460 -20.864 1.00 63.24 H new ATOM 0 HB3 MET A 83 11.112 4.214 -22.236 1.00 63.24 H new ATOM 0 HG2 MET A 83 12.793 5.720 -21.210 1.00 2.45 H new ATOM 0 HG3 MET A 83 11.730 5.979 -19.842 1.00 2.45 H new ATOM 0 HE1 MET A 83 12.631 3.481 -17.430 1.00 5.44 H new ATOM 0 HE2 MET A 83 11.807 4.978 -17.927 1.00 5.44 H new ATOM 0 HE3 MET A 83 11.007 3.405 -18.155 1.00 5.44 H new ATOM 1324 N VAL A 84 8.007 5.250 -22.563 1.00 71.32 N ATOM 1325 CA VAL A 84 6.876 4.807 -23.370 1.00 20.31 C ATOM 1326 C VAL A 84 6.394 5.917 -24.297 1.00 63.33 C ATOM 1327 O VAL A 84 5.926 5.655 -25.404 1.00 72.32 O ATOM 1328 CB VAL A 84 5.702 4.346 -22.486 1.00 1.15 C ATOM 1329 CG1 VAL A 84 5.219 5.486 -21.602 1.00 5.30 C ATOM 1330 CG2 VAL A 84 4.567 3.809 -23.345 1.00 2.25 C ATOM 0 H VAL A 84 7.872 5.151 -21.557 1.00 71.32 H new ATOM 0 HA VAL A 84 7.224 3.964 -23.967 1.00 20.31 H new ATOM 0 HB VAL A 84 6.051 3.540 -21.840 1.00 1.15 H new ATOM 0 HG11 VAL A 84 4.389 5.141 -20.985 1.00 5.30 H new ATOM 0 HG12 VAL A 84 6.035 5.820 -20.960 1.00 5.30 H new ATOM 0 HG13 VAL A 84 4.886 6.315 -22.227 1.00 5.30 H new ATOM 0 HG21 VAL A 84 3.746 3.488 -22.704 1.00 2.25 H new ATOM 0 HG22 VAL A 84 4.217 4.593 -24.017 1.00 2.25 H new ATOM 0 HG23 VAL A 84 4.923 2.961 -23.930 1.00 2.25 H new ATOM 1340 N ASN A 85 6.514 7.158 -23.837 1.00 74.04 N ATOM 1341 CA ASN A 85 6.090 8.309 -24.626 1.00 40.32 C ATOM 1342 C ASN A 85 6.913 8.425 -25.906 1.00 30.43 C ATOM 1343 O ASN A 85 6.364 8.544 -27.000 1.00 70.10 O ATOM 1344 CB ASN A 85 6.222 9.593 -23.804 1.00 53.13 C ATOM 1345 CG ASN A 85 4.948 9.934 -23.056 1.00 35.31 C ATOM 1346 OD1 ASN A 85 3.845 9.767 -23.577 1.00 52.13 O ATOM 1347 ND2 ASN A 85 5.094 10.414 -21.827 1.00 1.05 N ATOM 0 H ASN A 85 6.901 7.392 -22.923 1.00 74.04 H new ATOM 0 HA ASN A 85 5.045 8.165 -24.899 1.00 40.32 H new ATOM 0 HB2 ASN A 85 7.040 9.483 -23.092 1.00 53.13 H new ATOM 0 HB3 ASN A 85 6.484 10.419 -24.465 1.00 53.13 H new ATOM 0 HD21 ASN A 85 4.273 10.661 -21.275 1.00 1.05 H new ATOM 0 HD22 ASN A 85 6.028 10.536 -21.435 1.00 1.05 H new ATOM 1354 N ASN A 86 8.233 8.387 -25.759 1.00 4.32 N ATOM 1355 CA ASN A 86 9.133 8.487 -26.903 1.00 12.55 C ATOM 1356 C ASN A 86 9.173 7.175 -27.679 1.00 42.03 C ATOM 1357 O ASN A 86 9.571 7.144 -28.845 1.00 34.43 O ATOM 1358 CB ASN A 86 10.542 8.862 -26.438 1.00 52.15 C ATOM 1359 CG ASN A 86 11.270 9.733 -27.445 1.00 35.44 C ATOM 1360 OD1 ASN A 86 10.653 10.326 -28.329 1.00 52.43 O ATOM 1361 ND2 ASN A 86 12.589 9.812 -27.313 1.00 74.14 N ATOM 0 H ASN A 86 8.704 8.288 -24.860 1.00 4.32 H new ATOM 0 HA ASN A 86 8.756 9.268 -27.564 1.00 12.55 H new ATOM 0 HB2 ASN A 86 10.479 9.387 -25.485 1.00 52.15 H new ATOM 0 HB3 ASN A 86 11.118 7.953 -26.264 1.00 52.15 H new ATOM 0 HD21 ASN A 86 13.133 10.382 -27.960 1.00 74.14 H new ATOM 0 HD22 ASN A 86 13.058 9.302 -26.564 1.00 74.14 H new ATOM 1368 N CYS A 87 8.759 6.095 -27.027 1.00 22.24 N ATOM 1369 CA CYS A 87 8.748 4.779 -27.656 1.00 30.24 C ATOM 1370 C CYS A 87 7.802 4.756 -28.852 1.00 32.13 C ATOM 1371 O CYS A 87 8.236 4.630 -29.997 1.00 4.11 O ATOM 1372 CB CYS A 87 8.335 3.710 -26.643 1.00 20.12 C ATOM 1373 SG CYS A 87 8.711 2.019 -27.160 1.00 22.44 S ATOM 0 H CYS A 87 8.426 6.104 -26.063 1.00 22.24 H new ATOM 0 HA CYS A 87 9.756 4.564 -28.009 1.00 30.24 H new ATOM 0 HB2 CYS A 87 8.837 3.909 -25.696 1.00 20.12 H new ATOM 0 HB3 CYS A 87 7.264 3.793 -26.460 1.00 20.12 H new ATOM 0 HG CYS A 87 8.327 1.188 -26.237 1.00 22.44 H new ATOM 1379 N ILE A 88 6.507 4.877 -28.578 1.00 23.43 N ATOM 1380 CA ILE A 88 5.500 4.869 -29.631 1.00 41.13 C ATOM 1381 C ILE A 88 5.618 6.108 -30.513 1.00 34.31 C ATOM 1382 O ILE A 88 5.300 6.069 -31.703 1.00 23.05 O ATOM 1383 CB ILE A 88 4.076 4.801 -29.048 1.00 62.14 C ATOM 1384 CG1 ILE A 88 3.793 6.036 -28.191 1.00 11.11 C ATOM 1385 CG2 ILE A 88 3.899 3.530 -28.231 1.00 52.00 C ATOM 1386 CD1 ILE A 88 3.126 7.160 -28.952 1.00 40.24 C ATOM 0 H ILE A 88 6.131 4.982 -27.636 1.00 23.43 H new ATOM 0 HA ILE A 88 5.680 3.978 -30.233 1.00 41.13 H new ATOM 0 HB ILE A 88 3.362 4.783 -29.871 1.00 62.14 H new ATOM 0 HG12 ILE A 88 3.158 5.749 -27.353 1.00 11.11 H new ATOM 0 HG13 ILE A 88 4.731 6.399 -27.771 1.00 11.11 H new ATOM 0 HG21 ILE A 88 2.888 3.496 -27.825 1.00 52.00 H new ATOM 0 HG22 ILE A 88 4.063 2.662 -28.869 1.00 52.00 H new ATOM 0 HG23 ILE A 88 4.619 3.520 -27.412 1.00 52.00 H new ATOM 0 HD11 ILE A 88 2.956 8.002 -28.282 1.00 40.24 H new ATOM 0 HD12 ILE A 88 3.769 7.475 -29.774 1.00 40.24 H new ATOM 0 HD13 ILE A 88 2.172 6.814 -29.350 1.00 40.24 H new ATOM 1398 N LEU A 89 6.077 7.206 -29.923 1.00 30.42 N ATOM 1399 CA LEU A 89 6.239 8.457 -30.655 1.00 10.12 C ATOM 1400 C LEU A 89 7.387 8.359 -31.654 1.00 61.42 C ATOM 1401 O LEU A 89 7.169 8.340 -32.866 1.00 25.11 O ATOM 1402 CB LEU A 89 6.492 9.611 -29.682 1.00 74.44 C ATOM 1403 CG LEU A 89 6.515 11.012 -30.295 1.00 23.54 C ATOM 1404 CD1 LEU A 89 7.850 11.275 -30.974 1.00 62.41 C ATOM 1405 CD2 LEU A 89 5.370 11.182 -31.282 1.00 33.33 C ATOM 0 H LEU A 89 6.344 7.255 -28.940 1.00 30.42 H new ATOM 0 HA LEU A 89 5.318 8.649 -31.206 1.00 10.12 H new ATOM 0 HB2 LEU A 89 5.722 9.586 -28.911 1.00 74.44 H new ATOM 0 HB3 LEU A 89 7.446 9.438 -29.184 1.00 74.44 H new ATOM 0 HG LEU A 89 6.388 11.740 -29.494 1.00 23.54 H new ATOM 0 HD11 LEU A 89 7.848 12.276 -31.404 1.00 62.41 H new ATOM 0 HD12 LEU A 89 8.653 11.197 -30.241 1.00 62.41 H new ATOM 0 HD13 LEU A 89 8.007 10.541 -31.764 1.00 62.41 H new ATOM 0 HD21 LEU A 89 5.403 12.185 -31.708 1.00 33.33 H new ATOM 0 HD22 LEU A 89 5.465 10.446 -32.080 1.00 33.33 H new ATOM 0 HD23 LEU A 89 4.421 11.038 -30.766 1.00 33.33 H new ATOM 1417 N PHE A 90 8.610 8.294 -31.138 1.00 70.11 N ATOM 1418 CA PHE A 90 9.793 8.196 -31.985 1.00 70.21 C ATOM 1419 C PHE A 90 9.711 6.973 -32.894 1.00 41.23 C ATOM 1420 O PHE A 90 9.702 7.096 -34.118 1.00 41.33 O ATOM 1421 CB PHE A 90 11.057 8.123 -31.126 1.00 31.42 C ATOM 1422 CG PHE A 90 12.248 8.789 -31.753 1.00 14.51 C ATOM 1423 CD1 PHE A 90 12.698 8.399 -33.004 1.00 13.31 C ATOM 1424 CD2 PHE A 90 12.917 9.807 -31.092 1.00 34.13 C ATOM 1425 CE1 PHE A 90 13.794 9.011 -33.583 1.00 34.22 C ATOM 1426 CE2 PHE A 90 14.013 10.422 -31.666 1.00 11.42 C ATOM 1427 CZ PHE A 90 14.451 10.024 -32.914 1.00 3.44 C ATOM 0 H PHE A 90 8.808 8.307 -30.137 1.00 70.11 H new ATOM 0 HA PHE A 90 9.837 9.089 -32.609 1.00 70.21 H new ATOM 0 HB2 PHE A 90 10.858 8.588 -30.160 1.00 31.42 H new ATOM 0 HB3 PHE A 90 11.296 7.077 -30.933 1.00 31.42 H new ATOM 0 HD1 PHE A 90 12.187 7.608 -33.533 1.00 13.31 H new ATOM 0 HD2 PHE A 90 12.578 10.123 -30.117 1.00 34.13 H new ATOM 0 HE1 PHE A 90 14.136 8.697 -34.558 1.00 34.22 H new ATOM 0 HE2 PHE A 90 14.527 11.213 -31.140 1.00 11.42 H new ATOM 0 HZ PHE A 90 15.306 10.505 -33.366 1.00 3.44 H new ATOM 1437 N ASN A 91 9.652 5.793 -32.285 1.00 42.34 N ATOM 1438 CA ASN A 91 9.572 4.547 -33.039 1.00 42.32 C ATOM 1439 C ASN A 91 9.546 3.345 -32.101 1.00 34.41 C ATOM 1440 O ASN A 91 10.562 2.983 -31.509 1.00 13.32 O ATOM 1441 CB ASN A 91 10.757 4.432 -34.001 1.00 34.11 C ATOM 1442 CG ASN A 91 10.317 4.210 -35.435 1.00 42.13 C ATOM 1443 OD1 ASN A 91 10.679 4.972 -36.332 1.00 1.10 O ATOM 1444 ND2 ASN A 91 9.532 3.162 -35.658 1.00 43.42 N ATOM 0 H ASN A 91 9.658 5.673 -31.272 1.00 42.34 H new ATOM 0 HA ASN A 91 8.646 4.557 -33.613 1.00 42.32 H new ATOM 0 HB2 ASN A 91 11.357 5.340 -33.944 1.00 34.11 H new ATOM 0 HB3 ASN A 91 11.397 3.607 -33.688 1.00 34.11 H new ATOM 0 HD21 ASN A 91 9.204 2.962 -36.603 1.00 43.42 H new ATOM 0 HD22 ASN A 91 9.257 2.557 -34.884 1.00 43.42 H new ATOM 1451 N GLY A 92 8.375 2.728 -31.971 1.00 31.20 N ATOM 1452 CA GLY A 92 8.237 1.572 -31.104 1.00 4.10 C ATOM 1453 C GLY A 92 7.043 0.713 -31.469 1.00 23.45 C ATOM 1454 O GLY A 92 7.199 -0.376 -32.022 1.00 1.44 O ATOM 0 H GLY A 92 7.520 3.008 -32.451 1.00 31.20 H new ATOM 0 HA2 GLY A 92 9.144 0.970 -31.159 1.00 4.10 H new ATOM 0 HA3 GLY A 92 8.138 1.906 -30.071 1.00 4.10 H new ATOM 1458 N ALA A 93 5.847 1.201 -31.157 1.00 3.13 N ATOM 1459 CA ALA A 93 4.622 0.470 -31.455 1.00 40.33 C ATOM 1460 C ALA A 93 3.958 1.005 -32.719 1.00 51.34 C ATOM 1461 O ALA A 93 3.951 0.342 -33.756 1.00 31.24 O ATOM 1462 CB ALA A 93 3.661 0.548 -30.278 1.00 51.14 C ATOM 0 H ALA A 93 5.701 2.100 -30.698 1.00 3.13 H new ATOM 0 HA ALA A 93 4.884 -0.574 -31.627 1.00 40.33 H new ATOM 0 HB1 ALA A 93 2.750 -0.002 -30.515 1.00 51.14 H new ATOM 0 HB2 ALA A 93 4.130 0.112 -29.396 1.00 51.14 H new ATOM 0 HB3 ALA A 93 3.413 1.591 -30.079 1.00 51.14 H new ATOM 1468 N GLU A 94 3.400 2.208 -32.626 1.00 3.53 N ATOM 1469 CA GLU A 94 2.732 2.831 -33.763 1.00 22.34 C ATOM 1470 C GLU A 94 1.577 1.964 -34.256 1.00 13.44 C ATOM 1471 O GLU A 94 1.115 2.111 -35.386 1.00 53.43 O ATOM 1472 CB GLU A 94 3.728 3.068 -34.900 1.00 74.12 C ATOM 1473 CG GLU A 94 3.583 4.428 -35.562 1.00 4.35 C ATOM 1474 CD GLU A 94 4.257 4.492 -36.918 1.00 64.34 C ATOM 1475 OE1 GLU A 94 5.189 3.695 -37.157 1.00 33.13 O ATOM 1476 OE2 GLU A 94 3.853 5.339 -37.742 1.00 73.10 O ATOM 0 H GLU A 94 3.397 2.771 -31.775 1.00 3.53 H new ATOM 0 HA GLU A 94 2.330 3.790 -33.436 1.00 22.34 H new ATOM 0 HB2 GLU A 94 4.741 2.969 -34.511 1.00 74.12 H new ATOM 0 HB3 GLU A 94 3.598 2.291 -35.653 1.00 74.12 H new ATOM 0 HG2 GLU A 94 2.524 4.662 -35.675 1.00 4.35 H new ATOM 0 HG3 GLU A 94 4.010 5.192 -34.912 1.00 4.35 H new ATOM 1483 N GLY A 95 1.115 1.060 -33.398 1.00 31.35 N ATOM 1484 CA GLY A 95 0.018 0.182 -33.763 1.00 43.32 C ATOM 1485 C GLY A 95 -0.220 -0.907 -32.736 1.00 62.15 C ATOM 1486 O GLY A 95 -1.342 -1.388 -32.581 1.00 2.24 O ATOM 0 H GLY A 95 1.481 0.920 -32.456 1.00 31.35 H new ATOM 0 HA2 GLY A 95 -0.891 0.771 -33.880 1.00 43.32 H new ATOM 0 HA3 GLY A 95 0.229 -0.275 -34.730 1.00 43.32 H new ATOM 1490 N ALA A 96 0.839 -1.299 -32.035 1.00 41.14 N ATOM 1491 CA ALA A 96 0.740 -2.338 -31.018 1.00 71.23 C ATOM 1492 C ALA A 96 1.159 -1.810 -29.651 1.00 14.35 C ATOM 1493 O ALA A 96 2.101 -2.315 -29.041 1.00 21.43 O ATOM 1494 CB ALA A 96 1.591 -3.539 -31.406 1.00 12.45 C ATOM 0 H ALA A 96 1.775 -0.912 -32.153 1.00 41.14 H new ATOM 0 HA ALA A 96 -0.302 -2.651 -30.953 1.00 71.23 H new ATOM 0 HB1 ALA A 96 1.508 -4.307 -30.637 1.00 12.45 H new ATOM 0 HB2 ALA A 96 1.243 -3.939 -32.358 1.00 12.45 H new ATOM 0 HB3 ALA A 96 2.633 -3.232 -31.500 1.00 12.45 H new ATOM 1500 N TYR A 97 0.453 -0.790 -29.175 1.00 3.35 N ATOM 1501 CA TYR A 97 0.754 -0.190 -27.880 1.00 23.52 C ATOM 1502 C TYR A 97 0.821 -1.255 -26.789 1.00 74.10 C ATOM 1503 O TYR A 97 1.542 -1.106 -25.803 1.00 42.25 O ATOM 1504 CB TYR A 97 -0.301 0.858 -27.522 1.00 22.53 C ATOM 1505 CG TYR A 97 -1.649 0.266 -27.176 1.00 4.14 C ATOM 1506 CD1 TYR A 97 -2.530 -0.134 -28.172 1.00 52.25 C ATOM 1507 CD2 TYR A 97 -2.041 0.108 -25.852 1.00 51.23 C ATOM 1508 CE1 TYR A 97 -3.763 -0.674 -27.861 1.00 60.02 C ATOM 1509 CE2 TYR A 97 -3.271 -0.432 -25.532 1.00 32.43 C ATOM 1510 CZ TYR A 97 -4.129 -0.822 -26.539 1.00 43.35 C ATOM 1511 OH TYR A 97 -5.356 -1.359 -26.224 1.00 65.33 O ATOM 0 H TYR A 97 -0.331 -0.361 -29.666 1.00 3.35 H new ATOM 0 HA TYR A 97 1.728 0.295 -27.950 1.00 23.52 H new ATOM 0 HB2 TYR A 97 0.056 1.447 -26.677 1.00 22.53 H new ATOM 0 HB3 TYR A 97 -0.419 1.544 -28.361 1.00 22.53 H new ATOM 0 HD1 TYR A 97 -2.246 -0.021 -29.208 1.00 52.25 H new ATOM 0 HD2 TYR A 97 -1.373 0.413 -25.060 1.00 51.23 H new ATOM 0 HE1 TYR A 97 -4.437 -0.979 -28.648 1.00 60.02 H new ATOM 0 HE2 TYR A 97 -3.560 -0.548 -24.498 1.00 32.43 H new ATOM 0 HH TYR A 97 -5.457 -1.395 -25.250 1.00 65.33 H new ATOM 1521 N ALA A 98 0.062 -2.330 -26.974 1.00 70.51 N ATOM 1522 CA ALA A 98 0.036 -3.422 -26.009 1.00 35.14 C ATOM 1523 C ALA A 98 1.440 -3.953 -25.742 1.00 32.31 C ATOM 1524 O ALA A 98 1.714 -4.500 -24.674 1.00 25.24 O ATOM 1525 CB ALA A 98 -0.869 -4.541 -26.502 1.00 34.30 C ATOM 0 H ALA A 98 -0.543 -2.468 -27.783 1.00 70.51 H new ATOM 0 HA ALA A 98 -0.362 -3.035 -25.071 1.00 35.14 H new ATOM 0 HB1 ALA A 98 -0.879 -5.350 -25.771 1.00 34.30 H new ATOM 0 HB2 ALA A 98 -1.881 -4.159 -26.634 1.00 34.30 H new ATOM 0 HB3 ALA A 98 -0.496 -4.917 -27.455 1.00 34.30 H new ATOM 1531 N ASP A 99 2.325 -3.789 -26.719 1.00 74.41 N ATOM 1532 CA ASP A 99 3.701 -4.252 -26.590 1.00 24.44 C ATOM 1533 C ASP A 99 4.425 -3.500 -25.477 1.00 62.22 C ATOM 1534 O ASP A 99 5.241 -4.073 -24.756 1.00 22.40 O ATOM 1535 CB ASP A 99 4.448 -4.074 -27.912 1.00 64.53 C ATOM 1536 CG ASP A 99 3.793 -4.828 -29.053 1.00 63.11 C ATOM 1537 OD1 ASP A 99 2.926 -5.684 -28.779 1.00 21.14 O ATOM 1538 OD2 ASP A 99 4.147 -4.561 -30.220 1.00 62.44 O ATOM 0 H ASP A 99 2.114 -3.339 -27.609 1.00 74.41 H new ATOM 0 HA ASP A 99 3.679 -5.311 -26.334 1.00 24.44 H new ATOM 0 HB2 ASP A 99 4.494 -3.014 -28.160 1.00 64.53 H new ATOM 0 HB3 ASP A 99 5.475 -4.419 -27.795 1.00 64.53 H new ATOM 1543 N ALA A 100 4.121 -2.213 -25.345 1.00 63.21 N ATOM 1544 CA ALA A 100 4.742 -1.383 -24.320 1.00 40.15 C ATOM 1545 C ALA A 100 4.073 -1.591 -22.966 1.00 24.12 C ATOM 1546 O ALA A 100 4.684 -1.367 -21.921 1.00 14.10 O ATOM 1547 CB ALA A 100 4.681 0.084 -24.721 1.00 64.43 C ATOM 0 H ALA A 100 3.449 -1.723 -25.935 1.00 63.21 H new ATOM 0 HA ALA A 100 5.787 -1.681 -24.229 1.00 40.15 H new ATOM 0 HB1 ALA A 100 5.148 0.693 -23.947 1.00 64.43 H new ATOM 0 HB2 ALA A 100 5.211 0.226 -25.663 1.00 64.43 H new ATOM 0 HB3 ALA A 100 3.640 0.385 -24.841 1.00 64.43 H new ATOM 1553 N ALA A 101 2.816 -2.020 -22.992 1.00 31.34 N ATOM 1554 CA ALA A 101 2.065 -2.260 -21.765 1.00 42.33 C ATOM 1555 C ALA A 101 2.598 -3.482 -21.025 1.00 5.51 C ATOM 1556 O ALA A 101 2.533 -3.553 -19.798 1.00 1.35 O ATOM 1557 CB ALA A 101 0.586 -2.433 -22.077 1.00 62.22 C ATOM 0 H ALA A 101 2.296 -2.209 -23.849 1.00 31.34 H new ATOM 0 HA ALA A 101 2.189 -1.393 -21.117 1.00 42.33 H new ATOM 0 HB1 ALA A 101 0.037 -2.611 -21.152 1.00 62.22 H new ATOM 0 HB2 ALA A 101 0.207 -1.530 -22.555 1.00 62.22 H new ATOM 0 HB3 ALA A 101 0.452 -3.282 -22.748 1.00 62.22 H new ATOM 1563 N ARG A 102 3.125 -4.441 -21.778 1.00 62.15 N ATOM 1564 CA ARG A 102 3.668 -5.661 -21.193 1.00 71.11 C ATOM 1565 C ARG A 102 4.851 -5.347 -20.282 1.00 31.22 C ATOM 1566 O ARG A 102 4.887 -5.768 -19.125 1.00 31.20 O ATOM 1567 CB ARG A 102 4.102 -6.631 -22.294 1.00 34.13 C ATOM 1568 CG ARG A 102 3.901 -8.093 -21.930 1.00 64.34 C ATOM 1569 CD ARG A 102 5.028 -8.607 -21.048 1.00 20.33 C ATOM 1570 NE ARG A 102 5.888 -9.553 -21.754 1.00 23.15 N ATOM 1571 CZ ARG A 102 5.578 -10.831 -21.940 1.00 30.23 C ATOM 1572 NH1 ARG A 102 4.434 -11.313 -21.475 1.00 73.42 N ATOM 1573 NH2 ARG A 102 6.413 -11.630 -22.592 1.00 40.33 N ATOM 0 H ARG A 102 3.188 -4.397 -22.795 1.00 62.15 H new ATOM 0 HA ARG A 102 2.885 -6.127 -20.595 1.00 71.11 H new ATOM 0 HB2 ARG A 102 3.541 -6.411 -23.202 1.00 34.13 H new ATOM 0 HB3 ARG A 102 5.155 -6.463 -22.521 1.00 34.13 H new ATOM 0 HG2 ARG A 102 2.949 -8.213 -21.413 1.00 64.34 H new ATOM 0 HG3 ARG A 102 3.847 -8.692 -22.839 1.00 64.34 H new ATOM 0 HD2 ARG A 102 5.626 -7.766 -20.697 1.00 20.33 H new ATOM 0 HD3 ARG A 102 4.607 -9.089 -20.166 1.00 20.33 H new ATOM 0 HE ARG A 102 6.776 -9.214 -22.125 1.00 23.15 H new ATOM 0 HH11 ARG A 102 3.790 -10.702 -20.973 1.00 73.42 H new ATOM 0 HH12 ARG A 102 4.198 -12.295 -21.619 1.00 73.42 H new ATOM 0 HH21 ARG A 102 7.294 -11.263 -22.951 1.00 40.33 H new ATOM 0 HH22 ARG A 102 6.174 -12.611 -22.734 1.00 40.33 H new ATOM 1587 N THR A 103 5.819 -4.605 -20.811 1.00 73.10 N ATOM 1588 CA THR A 103 7.004 -4.236 -20.047 1.00 34.20 C ATOM 1589 C THR A 103 6.639 -3.350 -18.861 1.00 64.03 C ATOM 1590 O THR A 103 7.293 -3.391 -17.819 1.00 4.30 O ATOM 1591 CB THR A 103 8.033 -3.501 -20.926 1.00 55.42 C ATOM 1592 OG1 THR A 103 9.166 -3.119 -20.139 1.00 21.32 O ATOM 1593 CG2 THR A 103 7.414 -2.266 -21.565 1.00 62.42 C ATOM 0 H THR A 103 5.805 -4.248 -21.766 1.00 73.10 H new ATOM 0 HA THR A 103 7.446 -5.163 -19.682 1.00 34.20 H new ATOM 0 HB THR A 103 8.353 -4.179 -21.717 1.00 55.42 H new ATOM 0 HG1 THR A 103 9.816 -2.654 -20.706 1.00 21.32 H new ATOM 0 HG21 THR A 103 8.159 -1.763 -22.181 1.00 62.42 H new ATOM 0 HG22 THR A 103 6.569 -2.563 -22.187 1.00 62.42 H new ATOM 0 HG23 THR A 103 7.070 -1.587 -20.785 1.00 62.42 H new ATOM 1601 N PHE A 104 5.591 -2.550 -19.027 1.00 4.25 N ATOM 1602 CA PHE A 104 5.140 -1.653 -17.969 1.00 42.20 C ATOM 1603 C PHE A 104 4.681 -2.441 -16.746 1.00 74.42 C ATOM 1604 O PHE A 104 5.136 -2.195 -15.630 1.00 33.22 O ATOM 1605 CB PHE A 104 4.001 -0.765 -18.475 1.00 61.53 C ATOM 1606 CG PHE A 104 3.353 0.053 -17.395 1.00 44.02 C ATOM 1607 CD1 PHE A 104 2.294 -0.457 -16.662 1.00 61.31 C ATOM 1608 CD2 PHE A 104 3.804 1.332 -17.113 1.00 1.33 C ATOM 1609 CE1 PHE A 104 1.696 0.294 -15.668 1.00 50.23 C ATOM 1610 CE2 PHE A 104 3.210 2.088 -16.120 1.00 1.43 C ATOM 1611 CZ PHE A 104 2.155 1.568 -15.396 1.00 3.01 C ATOM 0 H PHE A 104 5.038 -2.504 -19.883 1.00 4.25 H new ATOM 0 HA PHE A 104 5.981 -1.023 -17.678 1.00 42.20 H new ATOM 0 HB2 PHE A 104 4.387 -0.096 -19.244 1.00 61.53 H new ATOM 0 HB3 PHE A 104 3.245 -1.392 -18.948 1.00 61.53 H new ATOM 0 HD1 PHE A 104 1.932 -1.453 -16.870 1.00 61.31 H new ATOM 0 HD2 PHE A 104 4.629 1.743 -17.675 1.00 1.33 H new ATOM 0 HE1 PHE A 104 0.870 -0.115 -15.104 1.00 50.23 H new ATOM 0 HE2 PHE A 104 3.570 3.084 -15.910 1.00 1.43 H new ATOM 0 HZ PHE A 104 1.690 2.156 -14.619 1.00 3.01 H new ATOM 1621 N GLU A 105 3.775 -3.390 -16.967 1.00 5.31 N ATOM 1622 CA GLU A 105 3.253 -4.213 -15.883 1.00 22.32 C ATOM 1623 C GLU A 105 4.389 -4.870 -15.103 1.00 14.23 C ATOM 1624 O GLU A 105 4.367 -4.915 -13.873 1.00 23.54 O ATOM 1625 CB GLU A 105 2.312 -5.286 -16.435 1.00 64.13 C ATOM 1626 CG GLU A 105 0.842 -4.914 -16.341 1.00 3.32 C ATOM 1627 CD GLU A 105 0.275 -5.124 -14.950 1.00 64.53 C ATOM 1628 OE1 GLU A 105 0.877 -5.898 -14.176 1.00 1.00 O ATOM 1629 OE2 GLU A 105 -0.769 -4.517 -14.637 1.00 13.15 O ATOM 0 H GLU A 105 3.389 -3.607 -17.886 1.00 5.31 H new ATOM 0 HA GLU A 105 2.697 -3.566 -15.205 1.00 22.32 H new ATOM 0 HB2 GLU A 105 2.564 -5.476 -17.478 1.00 64.13 H new ATOM 0 HB3 GLU A 105 2.478 -6.217 -15.892 1.00 64.13 H new ATOM 0 HG2 GLU A 105 0.716 -3.870 -16.627 1.00 3.32 H new ATOM 0 HG3 GLU A 105 0.274 -5.510 -17.055 1.00 3.32 H new ATOM 1636 N LYS A 106 5.380 -5.378 -15.827 1.00 53.03 N ATOM 1637 CA LYS A 106 6.525 -6.032 -15.206 1.00 2.12 C ATOM 1638 C LYS A 106 7.226 -5.091 -14.231 1.00 34.25 C ATOM 1639 O LYS A 106 7.602 -5.491 -13.129 1.00 23.22 O ATOM 1640 CB LYS A 106 7.513 -6.502 -16.276 1.00 51.21 C ATOM 1641 CG LYS A 106 7.986 -7.932 -16.082 1.00 33.15 C ATOM 1642 CD LYS A 106 8.979 -8.040 -14.937 1.00 21.21 C ATOM 1643 CE LYS A 106 9.246 -9.491 -14.565 1.00 52.25 C ATOM 1644 NZ LYS A 106 9.927 -9.609 -13.247 1.00 31.54 N ATOM 0 H LYS A 106 5.413 -5.349 -16.846 1.00 53.03 H new ATOM 0 HA LYS A 106 6.161 -6.897 -14.652 1.00 2.12 H new ATOM 0 HB2 LYS A 106 7.044 -6.413 -17.256 1.00 51.21 H new ATOM 0 HB3 LYS A 106 8.378 -5.839 -16.276 1.00 51.21 H new ATOM 0 HG2 LYS A 106 7.129 -8.576 -15.884 1.00 33.15 H new ATOM 0 HG3 LYS A 106 8.449 -8.291 -17.001 1.00 33.15 H new ATOM 0 HD2 LYS A 106 9.915 -7.558 -15.219 1.00 21.21 H new ATOM 0 HD3 LYS A 106 8.594 -7.506 -14.069 1.00 21.21 H new ATOM 0 HE2 LYS A 106 8.304 -10.038 -14.537 1.00 52.25 H new ATOM 0 HE3 LYS A 106 9.862 -9.956 -15.335 1.00 52.25 H new ATOM 0 HZ1 LYS A 106 10.091 -10.613 -13.030 1.00 31.54 H new ATOM 0 HZ2 LYS A 106 10.838 -9.109 -13.281 1.00 31.54 H new ATOM 0 HZ3 LYS A 106 9.328 -9.188 -12.508 1.00 31.54 H new ATOM 1658 N PHE A 107 7.396 -3.839 -14.642 1.00 72.11 N ATOM 1659 CA PHE A 107 8.050 -2.841 -13.804 1.00 65.21 C ATOM 1660 C PHE A 107 7.361 -2.734 -12.447 1.00 50.52 C ATOM 1661 O PHE A 107 8.018 -2.678 -11.408 1.00 32.30 O ATOM 1662 CB PHE A 107 8.047 -1.479 -14.500 1.00 43.41 C ATOM 1663 CG PHE A 107 9.360 -1.130 -15.141 1.00 2.42 C ATOM 1664 CD1 PHE A 107 9.787 -1.791 -16.281 1.00 24.33 C ATOM 1665 CD2 PHE A 107 10.167 -0.140 -14.603 1.00 23.22 C ATOM 1666 CE1 PHE A 107 10.995 -1.472 -16.873 1.00 72.41 C ATOM 1667 CE2 PHE A 107 11.375 0.183 -15.191 1.00 4.30 C ATOM 1668 CZ PHE A 107 11.790 -0.484 -16.327 1.00 23.43 C ATOM 0 H PHE A 107 7.090 -3.491 -15.551 1.00 72.11 H new ATOM 0 HA PHE A 107 9.081 -3.157 -13.644 1.00 65.21 H new ATOM 0 HB2 PHE A 107 7.267 -1.471 -15.261 1.00 43.41 H new ATOM 0 HB3 PHE A 107 7.791 -0.709 -13.772 1.00 43.41 H new ATOM 0 HD1 PHE A 107 9.169 -2.565 -16.712 1.00 24.33 H new ATOM 0 HD2 PHE A 107 9.848 0.385 -13.714 1.00 23.22 H new ATOM 0 HE1 PHE A 107 11.316 -1.995 -17.762 1.00 72.41 H new ATOM 0 HE2 PHE A 107 11.995 0.957 -14.762 1.00 4.30 H new ATOM 0 HZ PHE A 107 12.734 -0.233 -16.787 1.00 23.43 H new ATOM 1678 N ALA A 108 6.032 -2.704 -12.466 1.00 5.50 N ATOM 1679 CA ALA A 108 5.253 -2.604 -11.238 1.00 42.12 C ATOM 1680 C ALA A 108 5.491 -3.811 -10.337 1.00 43.03 C ATOM 1681 O ALA A 108 5.525 -3.687 -9.114 1.00 4.45 O ATOM 1682 CB ALA A 108 3.773 -2.469 -11.562 1.00 53.43 C ATOM 0 H ALA A 108 5.473 -2.748 -13.318 1.00 5.50 H new ATOM 0 HA ALA A 108 5.579 -1.713 -10.701 1.00 42.12 H new ATOM 0 HB1 ALA A 108 3.203 -2.395 -10.636 1.00 53.43 H new ATOM 0 HB2 ALA A 108 3.612 -1.572 -12.160 1.00 53.43 H new ATOM 0 HB3 ALA A 108 3.442 -3.343 -12.123 1.00 53.43 H new ATOM 1688 N MET A 109 5.655 -4.978 -10.951 1.00 73.40 N ATOM 1689 CA MET A 109 5.890 -6.208 -10.203 1.00 61.12 C ATOM 1690 C MET A 109 7.155 -6.097 -9.358 1.00 43.15 C ATOM 1691 O MET A 109 7.161 -6.455 -8.182 1.00 31.24 O ATOM 1692 CB MET A 109 6.004 -7.398 -11.159 1.00 13.53 C ATOM 1693 CG MET A 109 5.220 -8.619 -10.705 1.00 2.41 C ATOM 1694 SD MET A 109 5.242 -9.950 -11.921 1.00 45.51 S ATOM 1695 CE MET A 109 5.002 -11.377 -10.866 1.00 10.43 C ATOM 0 H MET A 109 5.630 -5.098 -11.964 1.00 73.40 H new ATOM 0 HA MET A 109 5.042 -6.366 -9.537 1.00 61.12 H new ATOM 0 HB2 MET A 109 5.652 -7.096 -12.145 1.00 13.53 H new ATOM 0 HB3 MET A 109 7.054 -7.669 -11.265 1.00 13.53 H new ATOM 0 HG2 MET A 109 5.635 -8.984 -9.765 1.00 2.41 H new ATOM 0 HG3 MET A 109 4.188 -8.330 -10.507 1.00 2.41 H new ATOM 0 HE1 MET A 109 4.993 -12.282 -11.474 1.00 10.43 H new ATOM 0 HE2 MET A 109 5.815 -11.435 -10.142 1.00 10.43 H new ATOM 0 HE3 MET A 109 4.052 -11.284 -10.339 1.00 10.43 H new ATOM 1705 N GLY A 110 8.227 -5.598 -9.968 1.00 13.12 N ATOM 1706 CA GLY A 110 9.483 -5.449 -9.256 1.00 73.22 C ATOM 1707 C GLY A 110 9.353 -4.571 -8.027 1.00 74.34 C ATOM 1708 O GLY A 110 9.791 -4.944 -6.939 1.00 60.20 O ATOM 0 H GLY A 110 8.248 -5.295 -10.942 1.00 13.12 H new ATOM 0 HA2 GLY A 110 9.847 -6.432 -8.959 1.00 73.22 H new ATOM 0 HA3 GLY A 110 10.229 -5.022 -9.927 1.00 73.22 H new ATOM 1712 N LYS A 111 8.750 -3.400 -8.200 1.00 75.03 N ATOM 1713 CA LYS A 111 8.563 -2.465 -7.097 1.00 54.02 C ATOM 1714 C LYS A 111 7.895 -3.151 -5.910 1.00 13.12 C ATOM 1715 O LYS A 111 8.206 -2.856 -4.755 1.00 52.14 O ATOM 1716 CB LYS A 111 7.719 -1.271 -7.551 1.00 22.32 C ATOM 1717 CG LYS A 111 7.881 -0.043 -6.672 1.00 21.11 C ATOM 1718 CD LYS A 111 9.036 0.827 -7.137 1.00 42.54 C ATOM 1719 CE LYS A 111 10.004 1.124 -6.002 1.00 34.12 C ATOM 1720 NZ LYS A 111 11.385 1.370 -6.500 1.00 63.31 N ATOM 0 H LYS A 111 8.382 -3.076 -9.094 1.00 75.03 H new ATOM 0 HA LYS A 111 9.545 -2.110 -6.784 1.00 54.02 H new ATOM 0 HB2 LYS A 111 7.990 -1.013 -8.575 1.00 22.32 H new ATOM 0 HB3 LYS A 111 6.669 -1.563 -7.563 1.00 22.32 H new ATOM 0 HG2 LYS A 111 6.959 0.538 -6.684 1.00 21.11 H new ATOM 0 HG3 LYS A 111 8.050 -0.352 -5.641 1.00 21.11 H new ATOM 0 HD2 LYS A 111 9.566 0.326 -7.947 1.00 42.54 H new ATOM 0 HD3 LYS A 111 8.648 1.763 -7.540 1.00 42.54 H new ATOM 0 HE2 LYS A 111 9.657 1.996 -5.448 1.00 34.12 H new ATOM 0 HE3 LYS A 111 10.013 0.286 -5.304 1.00 34.12 H new ATOM 0 HZ1 LYS A 111 12.049 0.736 -6.010 1.00 63.31 H new ATOM 0 HZ2 LYS A 111 11.423 1.187 -7.523 1.00 63.31 H new ATOM 0 HZ3 LYS A 111 11.650 2.359 -6.315 1.00 63.31 H new ATOM 1734 N ILE A 112 6.977 -4.067 -6.201 1.00 25.12 N ATOM 1735 CA ILE A 112 6.268 -4.796 -5.157 1.00 25.15 C ATOM 1736 C ILE A 112 7.230 -5.638 -4.325 1.00 34.43 C ATOM 1737 O ILE A 112 7.166 -5.639 -3.095 1.00 73.42 O ATOM 1738 CB ILE A 112 5.181 -5.712 -5.748 1.00 62.25 C ATOM 1739 CG1 ILE A 112 4.163 -4.887 -6.538 1.00 33.20 C ATOM 1740 CG2 ILE A 112 4.492 -6.498 -4.643 1.00 74.34 C ATOM 1741 CD1 ILE A 112 3.450 -5.676 -7.614 1.00 63.03 C ATOM 0 H ILE A 112 6.707 -4.322 -7.151 1.00 25.12 H new ATOM 0 HA ILE A 112 5.794 -4.051 -4.518 1.00 25.15 H new ATOM 0 HB ILE A 112 5.654 -6.420 -6.429 1.00 62.25 H new ATOM 0 HG12 ILE A 112 3.424 -4.479 -5.848 1.00 33.20 H new ATOM 0 HG13 ILE A 112 4.672 -4.040 -6.997 1.00 33.20 H new ATOM 0 HG21 ILE A 112 3.726 -7.141 -5.077 1.00 74.34 H new ATOM 0 HG22 ILE A 112 5.226 -7.111 -4.120 1.00 74.34 H new ATOM 0 HG23 ILE A 112 4.029 -5.807 -3.939 1.00 74.34 H new ATOM 0 HD11 ILE A 112 2.744 -5.028 -8.133 1.00 63.03 H new ATOM 0 HD12 ILE A 112 4.180 -6.062 -8.326 1.00 63.03 H new ATOM 0 HD13 ILE A 112 2.912 -6.508 -7.159 1.00 63.03 H new ATOM 1753 N ASP A 113 8.121 -6.353 -5.003 1.00 54.33 N ATOM 1754 CA ASP A 113 9.098 -7.198 -4.327 1.00 41.32 C ATOM 1755 C ASP A 113 9.943 -6.380 -3.355 1.00 60.31 C ATOM 1756 O ASP A 113 10.083 -6.739 -2.186 1.00 42.42 O ATOM 1757 CB ASP A 113 10.001 -7.889 -5.350 1.00 53.02 C ATOM 1758 CG ASP A 113 9.419 -9.199 -5.843 1.00 64.43 C ATOM 1759 OD1 ASP A 113 9.455 -10.188 -5.081 1.00 52.22 O ATOM 1760 OD2 ASP A 113 8.930 -9.237 -6.992 1.00 14.13 O ATOM 0 H ASP A 113 8.187 -6.364 -6.021 1.00 54.33 H new ATOM 0 HA ASP A 113 8.557 -7.956 -3.761 1.00 41.32 H new ATOM 0 HB2 ASP A 113 10.160 -7.223 -6.198 1.00 53.02 H new ATOM 0 HB3 ASP A 113 10.977 -8.074 -4.902 1.00 53.02 H new ATOM 1765 N ALA A 114 10.505 -5.281 -3.847 1.00 52.12 N ATOM 1766 CA ALA A 114 11.335 -4.412 -3.022 1.00 60.31 C ATOM 1767 C ALA A 114 10.546 -3.861 -1.839 1.00 44.11 C ATOM 1768 O ALA A 114 11.059 -3.780 -0.722 1.00 72.15 O ATOM 1769 CB ALA A 114 11.901 -3.274 -3.858 1.00 24.01 C ATOM 0 H ALA A 114 10.401 -4.971 -4.813 1.00 52.12 H new ATOM 0 HA ALA A 114 12.161 -5.005 -2.629 1.00 60.31 H new ATOM 0 HB1 ALA A 114 12.519 -2.633 -3.229 1.00 24.01 H new ATOM 0 HB2 ALA A 114 12.508 -3.683 -4.666 1.00 24.01 H new ATOM 0 HB3 ALA A 114 11.083 -2.690 -4.279 1.00 24.01 H new ATOM 1775 N TYR A 115 9.298 -3.482 -2.091 1.00 64.32 N ATOM 1776 CA TYR A 115 8.440 -2.935 -1.047 1.00 60.32 C ATOM 1777 C TYR A 115 8.412 -3.853 0.171 1.00 3.45 C ATOM 1778 O TYR A 115 8.655 -3.415 1.297 1.00 75.42 O ATOM 1779 CB TYR A 115 7.020 -2.733 -1.579 1.00 43.53 C ATOM 1780 CG TYR A 115 6.012 -2.400 -0.503 1.00 30.02 C ATOM 1781 CD1 TYR A 115 6.322 -1.508 0.516 1.00 4.01 C ATOM 1782 CD2 TYR A 115 4.748 -2.977 -0.505 1.00 61.53 C ATOM 1783 CE1 TYR A 115 5.404 -1.202 1.502 1.00 64.01 C ATOM 1784 CE2 TYR A 115 3.823 -2.676 0.476 1.00 62.33 C ATOM 1785 CZ TYR A 115 4.156 -1.788 1.477 1.00 22.53 C ATOM 1786 OH TYR A 115 3.238 -1.485 2.457 1.00 65.22 O ATOM 0 H TYR A 115 8.858 -3.544 -3.009 1.00 64.32 H new ATOM 0 HA TYR A 115 8.849 -1.971 -0.744 1.00 60.32 H new ATOM 0 HB2 TYR A 115 7.028 -1.932 -2.318 1.00 43.53 H new ATOM 0 HB3 TYR A 115 6.702 -3.639 -2.095 1.00 43.53 H new ATOM 0 HD1 TYR A 115 7.298 -1.046 0.538 1.00 4.01 H new ATOM 0 HD2 TYR A 115 4.484 -3.673 -1.287 1.00 61.53 H new ATOM 0 HE1 TYR A 115 5.662 -0.508 2.288 1.00 64.01 H new ATOM 0 HE2 TYR A 115 2.845 -3.133 0.459 1.00 62.33 H new ATOM 0 HH TYR A 115 3.258 -0.522 2.637 1.00 65.22 H new ATOM 1796 N ILE A 116 8.116 -5.127 -0.062 1.00 12.41 N ATOM 1797 CA ILE A 116 8.058 -6.107 1.015 1.00 11.34 C ATOM 1798 C ILE A 116 9.381 -6.171 1.772 1.00 75.13 C ATOM 1799 O ILE A 116 9.402 -6.325 2.993 1.00 43.32 O ATOM 1800 CB ILE A 116 7.716 -7.510 0.482 1.00 72.32 C ATOM 1801 CG1 ILE A 116 6.391 -7.480 -0.284 1.00 3.13 C ATOM 1802 CG2 ILE A 116 7.650 -8.510 1.626 1.00 35.53 C ATOM 1803 CD1 ILE A 116 5.208 -7.083 0.571 1.00 23.23 C ATOM 0 H ILE A 116 7.913 -5.505 -0.987 1.00 12.41 H new ATOM 0 HA ILE A 116 7.269 -5.783 1.694 1.00 11.34 H new ATOM 0 HB ILE A 116 8.503 -7.824 -0.204 1.00 72.32 H new ATOM 0 HG12 ILE A 116 6.478 -6.782 -1.117 1.00 3.13 H new ATOM 0 HG13 ILE A 116 6.206 -8.465 -0.712 1.00 3.13 H new ATOM 0 HG21 ILE A 116 7.407 -9.497 1.233 1.00 35.53 H new ATOM 0 HG22 ILE A 116 8.615 -8.548 2.132 1.00 35.53 H new ATOM 0 HG23 ILE A 116 6.881 -8.202 2.334 1.00 35.53 H new ATOM 0 HD11 ILE A 116 4.303 -7.083 -0.037 1.00 23.23 H new ATOM 0 HD12 ILE A 116 5.095 -7.794 1.389 1.00 23.23 H new ATOM 0 HD13 ILE A 116 5.372 -6.085 0.978 1.00 23.23 H new ATOM 1815 N SER A 117 10.482 -6.051 1.038 1.00 41.33 N ATOM 1816 CA SER A 117 11.810 -6.097 1.639 1.00 71.14 C ATOM 1817 C SER A 117 12.015 -4.926 2.594 1.00 12.25 C ATOM 1818 O SER A 117 12.842 -4.991 3.504 1.00 53.04 O ATOM 1819 CB SER A 117 12.886 -6.077 0.551 1.00 10.02 C ATOM 1820 OG SER A 117 13.440 -7.367 0.358 1.00 2.23 O ATOM 0 H SER A 117 10.481 -5.921 0.026 1.00 41.33 H new ATOM 0 HA SER A 117 11.893 -7.024 2.206 1.00 71.14 H new ATOM 0 HB2 SER A 117 12.455 -5.719 -0.384 1.00 10.02 H new ATOM 0 HB3 SER A 117 13.674 -5.377 0.828 1.00 10.02 H new ATOM 0 HG SER A 117 14.124 -7.328 -0.343 1.00 2.23 H new ATOM 1826 N GLN A 118 11.256 -3.856 2.381 1.00 75.12 N ATOM 1827 CA GLN A 118 11.354 -2.670 3.223 1.00 40.54 C ATOM 1828 C GLN A 118 9.987 -2.280 3.776 1.00 4.13 C ATOM 1829 O GLN A 118 9.375 -1.312 3.324 1.00 4.25 O ATOM 1830 CB GLN A 118 11.947 -1.504 2.430 1.00 44.33 C ATOM 1831 CG GLN A 118 11.209 -1.211 1.134 1.00 61.15 C ATOM 1832 CD GLN A 118 12.136 -0.751 0.025 1.00 35.51 C ATOM 1833 OE1 GLN A 118 11.914 0.291 -0.593 1.00 22.55 O ATOM 1834 NE2 GLN A 118 13.181 -1.528 -0.233 1.00 61.32 N ATOM 0 H GLN A 118 10.567 -3.786 1.633 1.00 75.12 H new ATOM 0 HA GLN A 118 12.011 -2.903 4.060 1.00 40.54 H new ATOM 0 HB2 GLN A 118 11.938 -0.610 3.053 1.00 44.33 H new ATOM 0 HB3 GLN A 118 12.990 -1.724 2.203 1.00 44.33 H new ATOM 0 HG2 GLN A 118 10.680 -2.107 0.811 1.00 61.15 H new ATOM 0 HG3 GLN A 118 10.456 -0.444 1.315 1.00 61.15 H new ATOM 0 HE21 GLN A 118 13.326 -2.383 0.304 1.00 61.32 H new ATOM 0 HE22 GLN A 118 13.839 -1.270 -0.969 1.00 61.32 H new ATOM 1843 N LYS A 119 9.513 -3.040 4.757 1.00 24.43 N ATOM 1844 CA LYS A 119 8.219 -2.775 5.374 1.00 22.25 C ATOM 1845 C LYS A 119 8.392 -2.133 6.747 1.00 24.43 C ATOM 1846 O LYS A 119 7.740 -1.139 7.065 1.00 4.24 O ATOM 1847 CB LYS A 119 7.417 -4.072 5.504 1.00 64.34 C ATOM 1848 CG LYS A 119 6.137 -4.080 4.686 1.00 65.12 C ATOM 1849 CD LYS A 119 5.737 -5.491 4.291 1.00 71.55 C ATOM 1850 CE LYS A 119 4.894 -6.154 5.369 1.00 32.31 C ATOM 1851 NZ LYS A 119 5.736 -6.826 6.397 1.00 64.31 N ATOM 0 H LYS A 119 10.006 -3.845 5.142 1.00 24.43 H new ATOM 0 HA LYS A 119 7.675 -2.081 4.733 1.00 22.25 H new ATOM 0 HB2 LYS A 119 8.042 -4.909 5.193 1.00 64.34 H new ATOM 0 HB3 LYS A 119 7.169 -4.232 6.553 1.00 64.34 H new ATOM 0 HG2 LYS A 119 5.333 -3.621 5.262 1.00 65.12 H new ATOM 0 HG3 LYS A 119 6.273 -3.475 3.790 1.00 65.12 H new ATOM 0 HD2 LYS A 119 5.178 -5.463 3.356 1.00 71.55 H new ATOM 0 HD3 LYS A 119 6.632 -6.087 4.110 1.00 71.55 H new ATOM 0 HE2 LYS A 119 4.264 -5.405 5.849 1.00 32.31 H new ATOM 0 HE3 LYS A 119 4.228 -6.885 4.911 1.00 32.31 H new ATOM 0 HZ1 LYS A 119 5.143 -7.458 6.973 1.00 64.31 H new ATOM 0 HZ2 LYS A 119 6.480 -7.381 5.928 1.00 64.31 H new ATOM 0 HZ3 LYS A 119 6.174 -6.109 7.010 1.00 64.31 H new ATOM 1865 N VAL A 120 9.276 -2.708 7.557 1.00 3.00 N ATOM 1866 CA VAL A 120 9.537 -2.190 8.895 1.00 61.22 C ATOM 1867 C VAL A 120 10.398 -0.933 8.839 1.00 21.35 C ATOM 1868 O VAL A 120 10.620 -0.275 9.855 1.00 55.44 O ATOM 1869 CB VAL A 120 10.238 -3.241 9.777 1.00 51.15 C ATOM 1870 CG1 VAL A 120 11.652 -3.499 9.278 1.00 11.35 C ATOM 1871 CG2 VAL A 120 10.249 -2.794 11.230 1.00 2.45 C ATOM 0 H VAL A 120 9.823 -3.533 7.310 1.00 3.00 H new ATOM 0 HA VAL A 120 8.570 -1.945 9.334 1.00 61.22 H new ATOM 0 HB VAL A 120 9.680 -4.175 9.713 1.00 51.15 H new ATOM 0 HG11 VAL A 120 12.132 -4.244 9.913 1.00 11.35 H new ATOM 0 HG12 VAL A 120 11.615 -3.866 8.252 1.00 11.35 H new ATOM 0 HG13 VAL A 120 12.224 -2.572 9.311 1.00 11.35 H new ATOM 0 HG21 VAL A 120 10.748 -3.548 11.839 1.00 2.45 H new ATOM 0 HG22 VAL A 120 10.783 -1.847 11.315 1.00 2.45 H new ATOM 0 HG23 VAL A 120 9.224 -2.666 11.579 1.00 2.45 H new ATOM 1881 N GLY A 121 10.882 -0.606 7.645 1.00 54.31 N ATOM 1882 CA GLY A 121 11.713 0.572 7.479 1.00 50.13 C ATOM 1883 C GLY A 121 10.913 1.859 7.531 1.00 21.44 C ATOM 1884 O GLY A 121 11.445 2.915 7.869 1.00 10.14 O ATOM 0 H GLY A 121 10.714 -1.136 6.790 1.00 54.31 H new ATOM 0 HA2 GLY A 121 12.474 0.589 8.260 1.00 50.13 H new ATOM 0 HA3 GLY A 121 12.237 0.512 6.525 1.00 50.13 H new ATOM 1888 N GLY A 122 9.630 1.770 7.194 1.00 11.23 N ATOM 1889 CA GLY A 122 8.776 2.944 7.210 1.00 64.24 C ATOM 1890 C GLY A 122 8.015 3.124 5.911 1.00 1.02 C ATOM 1891 O GLY A 122 7.278 4.097 5.745 1.00 70.22 O ATOM 0 H GLY A 122 9.167 0.907 6.910 1.00 11.23 H new ATOM 0 HA2 GLY A 122 8.068 2.863 8.035 1.00 64.24 H new ATOM 0 HA3 GLY A 122 9.384 3.829 7.397 1.00 64.24 H new ATOM 1895 N LEU A 123 8.194 2.186 4.988 1.00 53.14 N ATOM 1896 CA LEU A 123 7.519 2.246 3.696 1.00 52.23 C ATOM 1897 C LEU A 123 6.199 1.483 3.735 1.00 53.11 C ATOM 1898 O LEU A 123 5.330 1.684 2.887 1.00 12.13 O ATOM 1899 CB LEU A 123 8.420 1.673 2.600 1.00 11.23 C ATOM 1900 CG LEU A 123 8.970 2.680 1.589 1.00 25.35 C ATOM 1901 CD1 LEU A 123 10.164 2.095 0.851 1.00 45.53 C ATOM 1902 CD2 LEU A 123 7.886 3.097 0.608 1.00 55.35 C ATOM 0 H LEU A 123 8.801 1.375 5.110 1.00 53.14 H new ATOM 0 HA LEU A 123 7.307 3.292 3.473 1.00 52.23 H new ATOM 0 HB2 LEU A 123 9.262 1.169 3.076 1.00 11.23 H new ATOM 0 HB3 LEU A 123 7.859 0.913 2.057 1.00 11.23 H new ATOM 0 HG LEU A 123 9.301 3.566 2.130 1.00 25.35 H new ATOM 0 HD11 LEU A 123 10.543 2.825 0.136 1.00 45.53 H new ATOM 0 HD12 LEU A 123 10.948 1.847 1.566 1.00 45.53 H new ATOM 0 HD13 LEU A 123 9.858 1.193 0.321 1.00 45.53 H new ATOM 0 HD21 LEU A 123 8.296 3.814 -0.104 1.00 55.35 H new ATOM 0 HD22 LEU A 123 7.523 2.220 0.072 1.00 55.35 H new ATOM 0 HD23 LEU A 123 7.061 3.557 1.152 1.00 55.35 H new ATOM 1914 N GLU A 124 6.056 0.609 4.726 1.00 34.30 N ATOM 1915 CA GLU A 124 4.840 -0.183 4.876 1.00 63.12 C ATOM 1916 C GLU A 124 3.603 0.710 4.857 1.00 3.23 C ATOM 1917 O GLU A 124 2.614 0.402 4.194 1.00 14.41 O ATOM 1918 CB GLU A 124 4.885 -0.985 6.178 1.00 14.45 C ATOM 1919 CG GLU A 124 5.051 -0.122 7.418 1.00 34.24 C ATOM 1920 CD GLU A 124 5.025 -0.932 8.700 1.00 24.20 C ATOM 1921 OE1 GLU A 124 5.615 -2.033 8.719 1.00 40.33 O ATOM 1922 OE2 GLU A 124 4.416 -0.465 9.685 1.00 52.43 O ATOM 0 H GLU A 124 6.766 0.431 5.436 1.00 34.30 H new ATOM 0 HA GLU A 124 4.780 -0.873 4.035 1.00 63.12 H new ATOM 0 HB2 GLU A 124 3.967 -1.565 6.270 1.00 14.45 H new ATOM 0 HB3 GLU A 124 5.709 -1.697 6.128 1.00 14.45 H new ATOM 0 HG2 GLU A 124 5.994 0.421 7.355 1.00 34.24 H new ATOM 0 HG3 GLU A 124 4.256 0.623 7.447 1.00 34.24 H new