USER MOD reduce.3.24.130724 H: found=0, std=0, add=1175, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1174 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 125 GLN : amide:sc= -1.1 K(o=-1.2,f=-5.4!) USER MOD Set 1.2: A 128 GLN : amide:sc= -0.124 X(o=-1.2,f=-0.98) USER MOD Set 2.1: A 82 TYR OH : rot 123:sc= 0.158 USER MOD Set 2.2: A 88 CYS SG : rot 180:sc= 0.153 USER MOD Single : A 1 MET CE :methyl 166:sc= -0.0395 (180deg=-0.338) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.00988 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot -110:sc= -0.272 USER MOD Single : A 10 MET CE :methyl -134:sc= 0 (180deg=-1.5!) USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= -0.0679 (180deg=-0.13) USER MOD Single : A 17 GLN : amide:sc= -0.519 X(o=-0.52,f=-0.026) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0452 USER MOD Single : A 31 ASN : amide:sc=-0.00181 X(o=-0.0018,f=-0.051) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.557 F(o=-1.5,f=-0.56) USER MOD Single : A 66 LYS NZ :NH3+ -127:sc= -0.464 (180deg=-0.849) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 130:sc= -0.0218 USER MOD Single : A 75 LYS NZ :NH3+ 170:sc=-0.00959 (180deg=-0.199) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.532 X(o=-0.53,f=-0.046) USER MOD Single : A 80 ASN : amide:sc= -0.456 K(o=-0.46,f=-1.7) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= 0 F(o=-1.8!,f=0) USER MOD Single : A 94 ASN : amide:sc= -0.722 X(o=-0.72,f=-0.29) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -76:sc= 1.16 USER MOD Single : A 107 THR OG1 : rot -17:sc= 0.0252 USER MOD Single : A 108 SER OG : rot 174:sc= -0.945 USER MOD Single : A 110 GLN : amide:sc= -0.247 K(o=-0.25,f=-0.84) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -1.33! C(o=-1.3!,f=-6.1!) USER MOD Single : A 119 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 ASN :FLIP amide:sc= 0.45 F(o=-2.3!,f=0.45) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.71) USER MOD Single : A 133 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 167:sc= -0.0338 (180deg=-0.221) USER MOD Single : A 142 SER OG : rot -17:sc= 0.142 USER MOD Single : A 147 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 148 SER OG : rot -37:sc= 0.869 USER MOD Single : A 150 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.17) USER MOD Single : A 152 SER OG : rot 47:sc= 0.777 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.276 -2.049 12.432 0.60 0.00 N ATOM 2 CA MET A 1 -23.833 -0.703 12.139 0.40 0.00 C ATOM 3 C MET A 1 -24.019 -0.505 10.639 0.67 0.00 C ATOM 4 O MET A 1 -23.178 -0.917 9.840 0.21 0.00 O ATOM 5 CB MET A 1 -22.910 0.383 12.695 0.24 0.00 C ATOM 6 CG MET A 1 -23.396 1.798 12.423 1.00 0.00 C ATOM 7 SD MET A 1 -25.064 2.095 13.043 0.23 0.00 S ATOM 8 CE MET A 1 -24.827 1.839 14.800 0.07 0.00 C ATOM 0 H1 MET A 1 -22.524 -1.966 13.145 0.60 0.00 H new ATOM 0 H2 MET A 1 -24.031 -2.665 12.795 0.60 0.00 H new ATOM 0 H3 MET A 1 -22.883 -2.459 11.561 0.60 0.00 H new ATOM 0 HA MET A 1 -24.808 -0.628 12.621 0.40 0.00 H new ATOM 0 HB2 MET A 1 -22.808 0.244 13.771 0.24 0.00 H new ATOM 0 HB3 MET A 1 -21.917 0.260 12.262 0.24 0.00 H new ATOM 0 HG2 MET A 1 -22.710 2.508 12.885 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.374 1.985 11.349 1.00 0.00 H new ATOM 0 HE1 MET A 1 -25.690 2.223 15.343 0.07 0.00 H new ATOM 0 HE2 MET A 1 -24.717 0.773 15.001 0.07 0.00 H new ATOM 0 HE3 MET A 1 -23.930 2.365 15.126 0.07 0.00 H new ATOM 20 N SER A 2 -25.124 0.131 10.264 0.05 0.00 N ATOM 21 CA SER A 2 -25.421 0.386 8.860 0.46 0.00 C ATOM 22 C SER A 2 -25.056 1.817 8.479 0.05 0.00 C ATOM 23 O SER A 2 -25.537 2.774 9.084 1.00 0.00 O ATOM 24 CB SER A 2 -26.903 0.133 8.578 1.00 0.00 C ATOM 25 OG SER A 2 -27.208 0.359 7.212 0.87 0.00 O ATOM 0 H SER A 2 -25.829 0.479 10.914 0.05 0.00 H new ATOM 0 HA SER A 2 -24.822 -0.296 8.257 0.46 0.00 H new ATOM 0 HB2 SER A 2 -27.158 -0.892 8.846 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.512 0.786 9.203 1.00 0.00 H new ATOM 0 HG SER A 2 -28.161 0.189 7.057 0.87 0.00 H new ATOM 31 N THR A 3 -24.200 1.955 7.470 1.00 0.00 N ATOM 32 CA THR A 3 -23.768 3.268 7.007 1.00 0.00 C ATOM 33 C THR A 3 -23.687 3.324 5.481 1.00 0.00 C ATOM 34 O THR A 3 -23.537 2.293 4.826 0.15 0.00 O ATOM 35 CB THR A 3 -22.396 3.645 7.598 0.06 0.00 C ATOM 36 OG1 THR A 3 -21.577 2.478 7.731 0.36 0.00 O ATOM 37 CG2 THR A 3 -22.561 4.321 8.952 0.26 0.00 C ATOM 0 H THR A 3 -23.792 1.173 6.958 1.00 0.00 H new ATOM 0 HA THR A 3 -24.515 3.983 7.350 1.00 0.00 H new ATOM 0 HB THR A 3 -21.911 4.345 6.918 0.06 0.00 H new ATOM 0 HG1 THR A 3 -21.466 2.263 8.681 0.36 0.00 H new ATOM 0 HG21 THR A 3 -21.580 4.579 9.352 0.26 0.00 H new ATOM 0 HG22 THR A 3 -23.156 5.227 8.836 0.26 0.00 H new ATOM 0 HG23 THR A 3 -23.065 3.641 9.639 0.26 0.00 H new ATOM 45 N PRO A 4 -23.785 4.536 4.899 0.31 0.00 N ATOM 46 CA PRO A 4 -23.720 4.721 3.444 0.48 0.00 C ATOM 47 C PRO A 4 -22.373 4.299 2.872 0.62 0.00 C ATOM 48 O PRO A 4 -22.290 3.801 1.748 0.55 0.00 O ATOM 49 CB PRO A 4 -23.925 6.229 3.259 1.00 0.00 C ATOM 50 CG PRO A 4 -23.562 6.830 4.574 1.00 0.00 C ATOM 51 CD PRO A 4 -23.961 5.817 5.605 0.11 0.00 C ATOM 0 HA PRO A 4 -24.461 4.112 2.925 0.48 0.00 H new ATOM 0 HB2 PRO A 4 -23.295 6.618 2.459 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -24.957 6.458 2.992 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -22.494 7.043 4.626 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -24.083 7.774 4.730 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -23.333 5.877 6.494 0.11 0.00 H new ATOM 0 HD3 PRO A 4 -24.991 5.959 5.932 0.11 0.00 H new ATOM 59 N ALA A 5 -21.319 4.502 3.656 1.00 0.00 N ATOM 60 CA ALA A 5 -19.971 4.145 3.233 0.88 0.00 C ATOM 61 C ALA A 5 -19.830 2.638 3.051 0.09 0.00 C ATOM 62 O ALA A 5 -19.161 2.175 2.125 0.71 0.00 O ATOM 63 CB ALA A 5 -18.955 4.653 4.246 0.64 0.00 C ATOM 0 H ALA A 5 -21.373 4.912 4.588 1.00 0.00 H new ATOM 0 HA ALA A 5 -19.781 4.617 2.269 0.88 0.00 H new ATOM 0 HB1 ALA A 5 -17.951 4.381 3.921 0.64 0.00 H new ATOM 0 HB2 ALA A 5 -19.030 5.738 4.324 0.64 0.00 H new ATOM 0 HB3 ALA A 5 -19.156 4.204 5.219 0.64 0.00 H new ATOM 69 N ARG A 6 -20.463 1.877 3.938 0.46 0.00 N ATOM 70 CA ARG A 6 -20.408 0.420 3.875 0.12 0.00 C ATOM 71 C ARG A 6 -21.111 -0.101 2.626 1.00 0.00 C ATOM 72 O ARG A 6 -20.692 -1.097 2.037 0.21 0.00 O ATOM 73 CB ARG A 6 -21.043 -0.188 5.128 1.00 0.00 C ATOM 74 CG ARG A 6 -20.962 -1.705 5.176 0.05 0.00 C ATOM 75 CD ARG A 6 -21.623 -2.258 6.429 0.77 0.00 C ATOM 76 NE ARG A 6 -21.567 -3.716 6.483 0.09 0.00 N ATOM 77 CZ ARG A 6 -22.138 -4.441 7.440 0.12 0.00 C ATOM 78 NH1 ARG A 6 -22.808 -3.845 8.418 0.47 0.00 N ATOM 79 NH2 ARG A 6 -22.042 -5.762 7.420 1.00 0.00 N ATOM 0 H ARG A 6 -21.020 2.245 4.709 0.46 0.00 H new ATOM 0 HA ARG A 6 -19.361 0.122 3.826 0.12 0.00 H new ATOM 0 HB2 ARG A 6 -20.551 0.222 6.010 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -22.089 0.113 5.178 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -21.445 -2.124 4.293 0.05 0.00 H new ATOM 0 HG3 ARG A 6 -19.918 -2.016 5.147 0.05 0.00 H new ATOM 0 HD2 ARG A 6 -21.132 -1.844 7.310 0.77 0.00 H new ATOM 0 HD3 ARG A 6 -22.663 -1.934 6.462 0.77 0.00 H new ATOM 0 HE ARG A 6 -21.061 -4.206 5.745 0.09 0.00 H new ATOM 0 HH11 ARG A 6 -22.886 -2.828 8.437 0.47 0.00 H new ATOM 0 HH12 ARG A 6 -23.245 -4.404 9.151 0.47 0.00 H new ATOM 0 HH21 ARG A 6 -21.529 -6.225 6.669 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -22.481 -6.316 8.155 1.00 0.00 H new ATOM 93 N ARG A 7 -22.184 0.576 2.227 1.00 0.00 N ATOM 94 CA ARG A 7 -22.944 0.181 1.048 1.00 0.00 C ATOM 95 C ARG A 7 -22.091 0.294 -0.212 0.13 0.00 C ATOM 96 O ARG A 7 -22.230 -0.500 -1.141 0.22 0.00 O ATOM 97 CB ARG A 7 -24.194 1.051 0.907 0.43 0.00 C ATOM 98 CG ARG A 7 -25.203 0.860 2.028 0.93 0.00 C ATOM 99 CD ARG A 7 -26.460 1.680 1.784 0.09 0.00 C ATOM 100 NE ARG A 7 -27.460 1.474 2.828 1.00 0.00 N ATOM 101 CZ ARG A 7 -28.708 1.930 2.752 0.14 0.00 C ATOM 102 NH1 ARG A 7 -29.106 2.613 1.688 0.07 0.00 N ATOM 103 NH2 ARG A 7 -29.560 1.701 3.743 0.08 0.00 N ATOM 0 H ARG A 7 -22.546 1.402 2.704 1.00 0.00 H new ATOM 0 HA ARG A 7 -23.244 -0.860 1.172 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -23.895 2.099 0.875 0.43 0.00 H new ATOM 0 HB3 ARG A 7 -24.676 0.828 -0.045 0.43 0.00 H new ATOM 0 HG2 ARG A 7 -25.464 -0.195 2.109 0.93 0.00 H new ATOM 0 HG3 ARG A 7 -24.754 1.151 2.978 0.93 0.00 H new ATOM 0 HD2 ARG A 7 -26.199 2.737 1.736 0.09 0.00 H new ATOM 0 HD3 ARG A 7 -26.885 1.412 0.817 0.09 0.00 H new ATOM 0 HE ARG A 7 -27.187 0.952 3.661 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -28.455 2.791 0.923 0.07 0.00 H new ATOM 0 HH12 ARG A 7 -30.063 2.961 1.634 0.07 0.00 H new ATOM 0 HH21 ARG A 7 -29.259 1.175 4.563 0.08 0.00 H new ATOM 0 HH22 ARG A 7 -30.516 2.051 3.684 0.08 0.00 H new ATOM 117 N ARG A 8 -21.208 1.288 -0.232 1.00 0.00 N ATOM 118 CA ARG A 8 -20.332 1.510 -1.377 1.00 0.00 C ATOM 119 C ARG A 8 -19.182 0.508 -1.390 0.15 0.00 C ATOM 120 O ARG A 8 -18.727 0.086 -2.454 0.76 0.00 O ATOM 121 CB ARG A 8 -19.779 2.936 -1.351 0.25 0.00 C ATOM 122 CG ARG A 8 -20.849 4.011 -1.479 1.00 0.00 C ATOM 123 CD ARG A 8 -21.512 3.981 -2.848 1.00 0.00 C ATOM 124 NE ARG A 8 -22.532 5.018 -2.986 0.06 0.00 N ATOM 125 CZ ARG A 8 -22.955 5.485 -4.157 1.00 0.00 C ATOM 126 NH1 ARG A 8 -22.451 5.006 -5.287 1.00 0.00 N ATOM 127 NH2 ARG A 8 -23.885 6.430 -4.200 0.13 0.00 N ATOM 0 H ARG A 8 -21.080 1.952 0.532 1.00 0.00 H new ATOM 0 HA ARG A 8 -20.920 1.369 -2.284 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -19.234 3.088 -0.419 0.25 0.00 H new ATOM 0 HB3 ARG A 8 -19.061 3.052 -2.163 0.25 0.00 H new ATOM 0 HG2 ARG A 8 -21.604 3.868 -0.705 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -20.403 4.991 -1.312 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -20.754 4.113 -3.620 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -21.965 3.003 -3.010 1.00 0.00 H new ATOM 0 HE ARG A 8 -22.943 5.405 -2.136 0.06 0.00 H new ATOM 0 HH11 ARG A 8 -21.737 4.278 -5.259 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -22.777 5.366 -6.184 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -24.277 6.800 -3.334 0.13 0.00 H new ATOM 0 HH22 ARG A 8 -24.208 6.787 -5.099 0.13 0.00 H new ATOM 141 N LEU A 9 -18.716 0.129 -0.204 1.00 0.00 N ATOM 142 CA LEU A 9 -17.617 -0.822 -0.081 0.46 0.00 C ATOM 143 C LEU A 9 -17.997 -2.182 -0.658 1.00 0.00 C ATOM 144 O LEU A 9 -17.142 -2.920 -1.147 0.39 0.00 O ATOM 145 CB LEU A 9 -17.205 -0.974 1.384 1.00 0.00 C ATOM 146 CG LEU A 9 -16.424 0.206 1.965 0.06 0.00 C ATOM 147 CD1 LEU A 9 -16.217 0.025 3.460 1.00 0.00 C ATOM 148 CD2 LEU A 9 -15.085 0.359 1.255 0.28 0.00 C ATOM 0 H LEU A 9 -19.083 0.466 0.686 1.00 0.00 H new ATOM 0 HA LEU A 9 -16.774 -0.432 -0.651 0.46 0.00 H new ATOM 0 HB2 LEU A 9 -18.102 -1.126 1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -16.599 -1.875 1.483 1.00 0.00 H new ATOM 0 HG LEU A 9 -17.005 1.115 1.807 0.06 0.00 H new ATOM 0 HD11 LEU A 9 -15.660 0.874 3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -17.185 -0.037 3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.657 -0.893 3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.542 1.203 1.680 0.28 0.00 H new ATOM 0 HD22 LEU A 9 -14.499 -0.551 1.383 0.28 0.00 H new ATOM 0 HD23 LEU A 9 -15.254 0.535 0.193 0.28 0.00 H new ATOM 160 N MET A 10 -19.284 -2.509 -0.599 0.95 0.00 N ATOM 161 CA MET A 10 -19.773 -3.782 -1.115 0.07 0.00 C ATOM 162 C MET A 10 -19.748 -3.802 -2.639 0.06 0.00 C ATOM 163 O MET A 10 -19.582 -4.856 -3.255 0.26 0.00 O ATOM 164 CB MET A 10 -21.195 -4.046 -0.615 0.17 0.00 C ATOM 165 CG MET A 10 -21.292 -4.184 0.896 0.06 0.00 C ATOM 166 SD MET A 10 -22.985 -4.453 1.458 0.06 0.00 S ATOM 167 CE MET A 10 -22.734 -4.604 3.224 1.00 0.00 C ATOM 0 H MET A 10 -20.007 -1.910 -0.199 0.95 0.00 H new ATOM 0 HA MET A 10 -19.112 -4.568 -0.750 0.07 0.00 H new ATOM 0 HB2 MET A 10 -21.843 -3.232 -0.940 0.17 0.00 H new ATOM 0 HB3 MET A 10 -21.572 -4.957 -1.080 0.17 0.00 H new ATOM 0 HG2 MET A 10 -20.668 -5.016 1.222 0.06 0.00 H new ATOM 0 HG3 MET A 10 -20.895 -3.284 1.366 0.06 0.00 H new ATOM 0 HE1 MET A 10 -23.293 -5.461 3.599 1.00 0.00 H new ATOM 0 HE2 MET A 10 -21.673 -4.745 3.430 1.00 0.00 H new ATOM 0 HE3 MET A 10 -23.083 -3.698 3.720 1.00 0.00 H new ATOM 177 N ARG A 11 -19.912 -2.629 -3.244 0.06 0.00 N ATOM 178 CA ARG A 11 -19.911 -2.511 -4.698 0.14 0.00 C ATOM 179 C ARG A 11 -18.502 -2.665 -5.257 1.00 0.00 C ATOM 180 O ARG A 11 -18.315 -3.163 -6.368 0.16 0.00 O ATOM 181 CB ARG A 11 -20.495 -1.159 -5.118 0.06 0.00 C ATOM 182 CG ARG A 11 -21.939 -0.956 -4.687 0.25 0.00 C ATOM 183 CD ARG A 11 -22.872 -1.940 -5.374 0.24 0.00 C ATOM 184 NE ARG A 11 -22.823 -1.817 -6.829 0.17 0.00 N ATOM 185 CZ ARG A 11 -23.676 -2.421 -7.652 1.00 0.00 C ATOM 186 NH1 ARG A 11 -24.652 -3.175 -7.164 0.42 0.00 N ATOM 187 NH2 ARG A 11 -23.556 -2.266 -8.963 0.07 0.00 N ATOM 0 H ARG A 11 -20.047 -1.747 -2.750 0.06 0.00 H new ATOM 0 HA ARG A 11 -20.530 -3.311 -5.104 0.14 0.00 H new ATOM 0 HB2 ARG A 11 -19.883 -0.362 -4.695 0.06 0.00 H new ATOM 0 HB3 ARG A 11 -20.433 -1.067 -6.202 0.06 0.00 H new ATOM 0 HG2 ARG A 11 -22.017 -1.074 -3.606 0.25 0.00 H new ATOM 0 HG3 ARG A 11 -22.249 0.063 -4.919 0.25 0.00 H new ATOM 0 HD2 ARG A 11 -22.602 -2.956 -5.087 0.24 0.00 H new ATOM 0 HD3 ARG A 11 -23.893 -1.772 -5.030 0.24 0.00 H new ATOM 0 HE ARG A 11 -22.092 -1.234 -7.237 0.17 0.00 H new ATOM 0 HH11 ARG A 11 -24.750 -3.293 -6.156 0.42 0.00 H new ATOM 0 HH12 ARG A 11 -25.305 -3.637 -7.797 0.42 0.00 H new ATOM 0 HH21 ARG A 11 -22.809 -1.683 -9.341 0.07 0.00 H new ATOM 0 HH22 ARG A 11 -24.210 -2.729 -9.593 0.07 0.00 H new ATOM 201 N ASP A 12 -17.511 -2.235 -4.482 0.13 0.00 N ATOM 202 CA ASP A 12 -16.117 -2.324 -4.902 0.11 0.00 C ATOM 203 C ASP A 12 -15.640 -3.773 -4.905 0.08 0.00 C ATOM 204 O ASP A 12 -14.921 -4.198 -5.810 0.08 0.00 O ATOM 205 CB ASP A 12 -15.229 -1.485 -3.980 0.18 0.00 C ATOM 206 CG ASP A 12 -15.518 -0.001 -4.090 1.00 0.00 C ATOM 207 OD1 ASP A 12 -15.088 0.614 -5.088 0.07 0.00 O ATOM 208 OD2 ASP A 12 -16.173 0.545 -3.177 0.95 0.00 O ATOM 0 H ASP A 12 -17.648 -1.821 -3.560 0.13 0.00 H new ATOM 0 HA ASP A 12 -16.045 -1.935 -5.918 0.11 0.00 H new ATOM 0 HB2 ASP A 12 -15.376 -1.805 -2.949 0.18 0.00 H new ATOM 0 HB3 ASP A 12 -14.182 -1.667 -4.224 0.18 0.00 H new ATOM 213 N PHE A 13 -16.045 -4.525 -3.888 0.13 0.00 N ATOM 214 CA PHE A 13 -15.659 -5.927 -3.773 0.22 0.00 C ATOM 215 C PHE A 13 -16.334 -6.775 -4.849 0.06 0.00 C ATOM 216 O PHE A 13 -15.678 -7.561 -5.534 0.18 0.00 O ATOM 217 CB PHE A 13 -16.018 -6.463 -2.383 0.46 0.00 C ATOM 218 CG PHE A 13 -15.845 -7.951 -2.248 0.66 0.00 C ATOM 219 CD1 PHE A 13 -14.628 -8.552 -2.535 0.55 0.00 C ATOM 220 CD2 PHE A 13 -16.901 -8.748 -1.838 1.00 0.00 C ATOM 221 CE1 PHE A 13 -14.470 -9.920 -2.415 1.00 0.00 C ATOM 222 CE2 PHE A 13 -16.748 -10.116 -1.716 0.57 0.00 C ATOM 223 CZ PHE A 13 -15.531 -10.702 -2.004 1.00 0.00 C ATOM 0 H PHE A 13 -16.640 -4.188 -3.131 0.13 0.00 H new ATOM 0 HA PHE A 13 -14.580 -5.991 -3.915 0.22 0.00 H new ATOM 0 HB2 PHE A 13 -15.397 -5.964 -1.639 0.46 0.00 H new ATOM 0 HB3 PHE A 13 -17.053 -6.204 -2.159 0.46 0.00 H new ATOM 0 HD1 PHE A 13 -13.795 -7.944 -2.856 0.55 0.00 H new ATOM 0 HD2 PHE A 13 -17.855 -8.295 -1.611 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -13.518 -10.376 -2.642 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -17.579 -10.726 -1.396 0.57 0.00 H new ATOM 0 HZ PHE A 13 -15.409 -11.771 -1.908 1.00 0.00 H new ATOM 233 N LYS A 14 -17.645 -6.612 -4.987 0.58 0.00 N ATOM 234 CA LYS A 14 -18.419 -7.360 -5.968 0.37 0.00 C ATOM 235 C LYS A 14 -17.823 -7.235 -7.369 0.07 0.00 C ATOM 236 O LYS A 14 -17.805 -8.199 -8.134 0.27 0.00 O ATOM 237 CB LYS A 14 -19.860 -6.862 -5.972 1.00 0.00 C ATOM 238 CG LYS A 14 -20.873 -7.960 -6.213 0.43 0.00 C ATOM 239 CD LYS A 14 -22.289 -7.467 -5.981 0.08 0.00 C ATOM 240 CE LYS A 14 -22.779 -6.608 -7.136 0.33 0.00 C ATOM 241 NZ LYS A 14 -24.182 -6.151 -6.933 1.00 0.00 N ATOM 0 H LYS A 14 -18.197 -5.963 -4.426 0.58 0.00 H new ATOM 0 HA LYS A 14 -18.392 -8.413 -5.687 0.37 0.00 H new ATOM 0 HB2 LYS A 14 -20.074 -6.383 -5.016 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -19.971 -6.099 -6.743 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -20.777 -8.328 -7.235 0.43 0.00 H new ATOM 0 HG3 LYS A 14 -20.666 -8.800 -5.551 0.43 0.00 H new ATOM 0 HD2 LYS A 14 -22.955 -8.320 -5.853 0.08 0.00 H new ATOM 0 HD3 LYS A 14 -22.327 -6.891 -5.056 0.08 0.00 H new ATOM 0 HE2 LYS A 14 -22.127 -5.741 -7.246 0.33 0.00 H new ATOM 0 HE3 LYS A 14 -22.713 -7.176 -8.064 0.33 0.00 H new ATOM 0 HZ1 LYS A 14 -24.507 -5.640 -7.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -24.795 -6.975 -6.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -24.225 -5.518 -6.109 1.00 0.00 H new ATOM 255 N ARG A 15 -17.347 -6.042 -7.701 0.10 0.00 N ATOM 256 CA ARG A 15 -16.758 -5.790 -9.013 1.00 0.00 C ATOM 257 C ARG A 15 -15.319 -6.297 -9.085 0.08 0.00 C ATOM 258 O ARG A 15 -14.815 -6.611 -10.165 0.76 0.00 O ATOM 259 CB ARG A 15 -16.805 -4.294 -9.333 0.19 0.00 C ATOM 260 CG ARG A 15 -16.397 -3.958 -10.756 1.00 0.00 C ATOM 261 CD ARG A 15 -16.413 -2.456 -10.997 0.19 0.00 C ATOM 262 NE ARG A 15 -16.098 -2.116 -12.381 0.81 0.00 N ATOM 263 CZ ARG A 15 -15.764 -0.892 -12.781 0.40 0.00 C ATOM 264 NH1 ARG A 15 -15.694 0.100 -11.903 1.00 0.00 N ATOM 265 NH2 ARG A 15 -15.498 -0.661 -14.060 0.36 0.00 N ATOM 0 H ARG A 15 -17.357 -5.232 -7.081 0.10 0.00 H new ATOM 0 HA ARG A 15 -17.344 -6.335 -9.753 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.816 -3.926 -9.159 0.19 0.00 H new ATOM 0 HB3 ARG A 15 -16.150 -3.764 -8.642 0.19 0.00 H new ATOM 0 HG2 ARG A 15 -15.399 -4.349 -10.952 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -17.074 -4.448 -11.456 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -17.396 -2.059 -10.742 0.19 0.00 H new ATOM 0 HD3 ARG A 15 -15.693 -1.976 -10.334 0.19 0.00 H new ATOM 0 HE ARG A 15 -16.136 -2.858 -13.080 0.81 0.00 H new ATOM 0 HH11 ARG A 15 -15.896 -0.075 -10.919 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -15.438 1.038 -12.212 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -15.550 -1.422 -14.737 0.36 0.00 H new ATOM 0 HH22 ARG A 15 -15.242 0.278 -14.366 0.36 0.00 H new ATOM 279 N LEU A 16 -14.661 -6.377 -7.931 0.15 0.00 N ATOM 280 CA LEU A 16 -13.274 -6.834 -7.866 0.45 0.00 C ATOM 281 C LEU A 16 -13.166 -8.333 -8.146 0.27 0.00 C ATOM 282 O LEU A 16 -12.288 -8.768 -8.892 0.08 0.00 O ATOM 283 CB LEU A 16 -12.680 -6.510 -6.491 0.49 0.00 C ATOM 284 CG LEU A 16 -11.156 -6.620 -6.390 0.08 0.00 C ATOM 285 CD1 LEU A 16 -10.629 -5.707 -5.294 0.28 0.00 C ATOM 286 CD2 LEU A 16 -10.738 -8.059 -6.125 1.00 0.00 C ATOM 0 H LEU A 16 -15.066 -6.131 -7.027 0.15 0.00 H new ATOM 0 HA LEU A 16 -12.710 -6.309 -8.636 0.45 0.00 H new ATOM 0 HB2 LEU A 16 -12.973 -5.496 -6.218 0.49 0.00 H new ATOM 0 HB3 LEU A 16 -13.125 -7.180 -5.755 0.49 0.00 H new ATOM 0 HG LEU A 16 -10.727 -6.306 -7.341 0.08 0.00 H new ATOM 0 HD11 LEU A 16 -9.544 -5.797 -5.235 0.28 0.00 H new ATOM 0 HD12 LEU A 16 -10.895 -4.675 -5.521 0.28 0.00 H new ATOM 0 HD13 LEU A 16 -11.069 -5.994 -4.339 0.28 0.00 H new ATOM 0 HD21 LEU A 16 -9.652 -8.116 -6.057 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.179 -8.399 -5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.084 -8.694 -6.940 1.00 0.00 H new ATOM 298 N GLN A 17 -14.059 -9.115 -7.546 0.10 0.00 N ATOM 299 CA GLN A 17 -14.053 -10.561 -7.722 0.69 0.00 C ATOM 300 C GLN A 17 -14.292 -10.947 -9.179 0.11 0.00 C ATOM 301 O GLN A 17 -13.891 -12.027 -9.616 0.07 0.00 O ATOM 302 CB GLN A 17 -15.122 -11.194 -6.833 1.00 0.00 C ATOM 303 CG GLN A 17 -16.534 -10.739 -7.162 0.13 0.00 C ATOM 304 CD GLN A 17 -17.583 -11.425 -6.310 1.00 0.00 C ATOM 305 OE1 GLN A 17 -18.102 -12.480 -6.672 1.00 0.00 O ATOM 306 NE2 GLN A 17 -17.901 -10.825 -5.169 0.14 0.00 N ATOM 0 H GLN A 17 -14.797 -8.769 -6.933 0.10 0.00 H new ATOM 0 HA GLN A 17 -13.070 -10.933 -7.434 0.69 0.00 H new ATOM 0 HB2 GLN A 17 -15.067 -12.278 -6.929 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -14.905 -10.955 -5.792 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -16.606 -9.661 -7.021 0.13 0.00 H new ATOM 0 HG3 GLN A 17 -16.739 -10.938 -8.214 0.13 0.00 H new ATOM 0 HE21 GLN A 17 -17.445 -9.951 -4.908 0.14 0.00 H new ATOM 0 HE22 GLN A 17 -18.601 -11.238 -4.553 0.14 0.00 H new ATOM 315 N GLU A 18 -14.946 -10.064 -9.925 1.00 0.00 N ATOM 316 CA GLU A 18 -15.237 -10.321 -11.332 0.08 0.00 C ATOM 317 C GLU A 18 -14.008 -10.063 -12.198 1.00 0.00 C ATOM 318 O GLU A 18 -13.711 -10.828 -13.115 0.67 0.00 O ATOM 319 CB GLU A 18 -16.402 -9.451 -11.803 1.00 0.00 C ATOM 320 CG GLU A 18 -17.710 -9.750 -11.089 0.19 0.00 C ATOM 321 CD GLU A 18 -18.185 -11.170 -11.319 0.10 0.00 C ATOM 322 OE1 GLU A 18 -17.769 -12.066 -10.554 0.52 0.00 O ATOM 323 OE2 GLU A 18 -18.971 -11.388 -12.265 0.24 0.00 O ATOM 0 H GLU A 18 -15.284 -9.165 -9.581 1.00 0.00 H new ATOM 0 HA GLU A 18 -15.516 -11.370 -11.433 0.08 0.00 H new ATOM 0 HB2 GLU A 18 -16.146 -8.402 -11.652 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -16.541 -9.594 -12.875 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -17.583 -9.581 -10.020 0.19 0.00 H new ATOM 0 HG3 GLU A 18 -18.475 -9.054 -11.433 0.19 0.00 H new ATOM 330 N ASP A 19 -13.299 -8.980 -11.898 0.10 0.00 N ATOM 331 CA ASP A 19 -12.101 -8.621 -12.648 0.32 0.00 C ATOM 332 C ASP A 19 -11.041 -8.031 -11.718 1.00 0.00 C ATOM 333 O ASP A 19 -10.887 -6.813 -11.635 0.38 0.00 O ATOM 334 CB ASP A 19 -12.442 -7.623 -13.757 0.08 0.00 C ATOM 335 CG ASP A 19 -11.240 -7.276 -14.612 0.75 0.00 C ATOM 336 OD1 ASP A 19 -10.992 -7.989 -15.607 0.61 0.00 O ATOM 337 OD2 ASP A 19 -10.546 -6.289 -14.288 0.07 0.00 O ATOM 0 H ASP A 19 -13.533 -8.336 -11.142 0.10 0.00 H new ATOM 0 HA ASP A 19 -11.700 -9.527 -13.103 0.32 0.00 H new ATOM 0 HB2 ASP A 19 -13.226 -8.040 -14.389 0.08 0.00 H new ATOM 0 HB3 ASP A 19 -12.843 -6.712 -13.312 0.08 0.00 H new ATOM 342 N PRO A 20 -10.304 -8.895 -10.998 0.33 0.00 N ATOM 343 CA PRO A 20 -9.253 -8.455 -10.070 1.00 0.00 C ATOM 344 C PRO A 20 -8.062 -7.834 -10.797 0.13 0.00 C ATOM 345 O PRO A 20 -7.771 -8.193 -11.939 0.65 0.00 O ATOM 346 CB PRO A 20 -8.832 -9.750 -9.369 0.15 0.00 C ATOM 347 CG PRO A 20 -9.193 -10.833 -10.326 0.14 0.00 C ATOM 348 CD PRO A 20 -10.434 -10.364 -11.024 0.85 0.00 C ATOM 0 HA PRO A 20 -9.609 -7.682 -9.389 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.764 -9.753 -9.152 0.15 0.00 H new ATOM 0 HB3 PRO A 20 -9.351 -9.872 -8.418 0.15 0.00 H new ATOM 0 HG2 PRO A 20 -8.387 -11.010 -11.038 0.14 0.00 H new ATOM 0 HG3 PRO A 20 -9.370 -11.773 -9.804 0.14 0.00 H new ATOM 0 HD2 PRO A 20 -10.490 -10.745 -12.044 0.85 0.00 H new ATOM 0 HD3 PRO A 20 -11.335 -10.697 -10.509 0.85 0.00 H new ATOM 356 N PRO A 21 -7.352 -6.892 -10.146 0.06 0.00 N ATOM 357 CA PRO A 21 -6.188 -6.234 -10.744 0.06 0.00 C ATOM 358 C PRO A 21 -5.016 -7.193 -10.916 1.00 0.00 C ATOM 359 O PRO A 21 -4.892 -8.173 -10.183 0.16 0.00 O ATOM 360 CB PRO A 21 -5.837 -5.133 -9.740 0.06 0.00 C ATOM 361 CG PRO A 21 -6.394 -5.608 -8.443 0.07 0.00 C ATOM 362 CD PRO A 21 -7.628 -6.394 -8.783 0.72 0.00 C ATOM 0 HA PRO A 21 -6.402 -5.856 -11.744 0.06 0.00 H new ATOM 0 HB2 PRO A 21 -4.759 -4.985 -9.677 0.06 0.00 H new ATOM 0 HB3 PRO A 21 -6.274 -4.178 -10.032 0.06 0.00 H new ATOM 0 HG2 PRO A 21 -5.671 -6.227 -7.912 0.07 0.00 H new ATOM 0 HG3 PRO A 21 -6.634 -4.768 -7.791 0.07 0.00 H new ATOM 0 HD2 PRO A 21 -7.789 -7.212 -8.081 0.72 0.00 H new ATOM 0 HD3 PRO A 21 -8.522 -5.770 -8.756 0.72 0.00 H new ATOM 370 N VAL A 22 -4.159 -6.907 -11.892 0.15 0.00 N ATOM 371 CA VAL A 22 -2.997 -7.748 -12.155 1.00 0.00 C ATOM 372 C VAL A 22 -1.786 -7.273 -11.358 1.00 0.00 C ATOM 373 O VAL A 22 -1.566 -6.071 -11.197 0.47 0.00 O ATOM 374 CB VAL A 22 -2.646 -7.768 -13.657 0.30 0.00 C ATOM 375 CG1 VAL A 22 -2.273 -6.376 -14.143 1.00 0.00 C ATOM 376 CG2 VAL A 22 -1.521 -8.756 -13.930 0.10 0.00 C ATOM 0 H VAL A 22 -4.247 -6.102 -12.512 0.15 0.00 H new ATOM 0 HA VAL A 22 -3.256 -8.759 -11.842 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.527 -8.093 -14.210 0.30 0.00 H new ATOM 0 HG11 VAL A 22 -2.029 -6.414 -15.205 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.113 -5.699 -13.988 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.409 -6.015 -13.585 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.287 -8.756 -14.995 0.10 0.00 H new ATOM 0 HG22 VAL A 22 -0.636 -8.465 -13.364 0.10 0.00 H new ATOM 0 HG23 VAL A 22 -1.833 -9.755 -13.627 0.10 0.00 H new ATOM 386 N GLY A 23 -1.004 -8.225 -10.857 0.06 0.00 N ATOM 387 CA GLY A 23 0.176 -7.887 -10.083 0.17 0.00 C ATOM 388 C GLY A 23 -0.142 -7.641 -8.621 0.57 0.00 C ATOM 389 O GLY A 23 0.762 -7.548 -7.789 1.00 0.00 O ATOM 0 H GLY A 23 -1.167 -9.225 -10.974 0.06 0.00 H new ATOM 0 HA2 GLY A 23 0.903 -8.695 -10.163 0.17 0.00 H new ATOM 0 HA3 GLY A 23 0.641 -6.997 -10.506 0.17 0.00 H new ATOM 393 N VAL A 24 -1.429 -7.537 -8.305 0.17 0.00 N ATOM 394 CA VAL A 24 -1.867 -7.297 -6.935 1.00 0.00 C ATOM 395 C VAL A 24 -3.291 -7.800 -6.721 1.00 0.00 C ATOM 396 O VAL A 24 -4.091 -7.837 -7.655 0.06 0.00 O ATOM 397 CB VAL A 24 -1.800 -5.798 -6.584 1.00 0.00 C ATOM 398 CG1 VAL A 24 -2.758 -4.998 -7.454 0.30 0.00 C ATOM 399 CG2 VAL A 24 -2.097 -5.577 -5.108 0.24 0.00 C ATOM 0 H VAL A 24 -2.188 -7.615 -8.981 0.17 0.00 H new ATOM 0 HA VAL A 24 -1.191 -7.846 -6.280 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.788 -5.446 -6.783 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.695 -3.942 -7.190 0.30 0.00 H new ATOM 0 HG12 VAL A 24 -2.490 -5.126 -8.503 0.30 0.00 H new ATOM 0 HG13 VAL A 24 -3.777 -5.352 -7.294 0.30 0.00 H new ATOM 0 HG21 VAL A 24 -2.044 -4.512 -4.882 0.24 0.00 H new ATOM 0 HG22 VAL A 24 -3.096 -5.948 -4.878 0.24 0.00 H new ATOM 0 HG23 VAL A 24 -1.364 -6.113 -4.505 0.24 0.00 H new ATOM 409 N SER A 25 -3.601 -8.191 -5.489 0.11 0.00 N ATOM 410 CA SER A 25 -4.932 -8.690 -5.160 1.00 0.00 C ATOM 411 C SER A 25 -5.394 -8.170 -3.803 0.14 0.00 C ATOM 412 O SER A 25 -4.647 -8.200 -2.827 0.10 0.00 O ATOM 413 CB SER A 25 -4.938 -10.220 -5.161 0.45 0.00 C ATOM 414 OG SER A 25 -4.590 -10.732 -6.435 0.07 0.00 O ATOM 0 H SER A 25 -2.951 -8.172 -4.704 0.11 0.00 H new ATOM 0 HA SER A 25 -5.625 -8.327 -5.919 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.236 -10.590 -4.413 0.45 0.00 H new ATOM 0 HB3 SER A 25 -5.926 -10.583 -4.878 0.45 0.00 H new ATOM 0 HG SER A 25 -4.600 -11.712 -6.408 0.07 0.00 H new ATOM 420 N GLY A 26 -6.634 -7.694 -3.753 1.00 0.00 N ATOM 421 CA GLY A 26 -7.185 -7.178 -2.513 0.70 0.00 C ATOM 422 C GLY A 26 -8.598 -7.664 -2.265 1.00 0.00 C ATOM 423 O GLY A 26 -9.463 -7.551 -3.133 0.08 0.00 O ATOM 0 H GLY A 26 -7.268 -7.656 -4.551 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.548 -7.480 -1.682 0.70 0.00 H new ATOM 0 HA3 GLY A 26 -7.178 -6.088 -2.540 0.70 0.00 H new ATOM 427 N ALA A 27 -8.836 -8.208 -1.074 0.18 0.00 N ATOM 428 CA ALA A 27 -10.154 -8.716 -0.715 1.00 0.00 C ATOM 429 C ALA A 27 -10.338 -8.737 0.801 0.06 0.00 C ATOM 430 O ALA A 27 -9.369 -8.890 1.546 1.00 0.00 O ATOM 431 CB ALA A 27 -10.357 -10.108 -1.293 0.05 0.00 C ATOM 0 H ALA A 27 -8.132 -8.308 -0.342 0.18 0.00 H new ATOM 0 HA ALA A 27 -10.904 -8.047 -1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.345 -10.476 -1.017 0.05 0.00 H new ATOM 0 HB2 ALA A 27 -10.275 -10.066 -2.379 0.05 0.00 H new ATOM 0 HB3 ALA A 27 -9.596 -10.781 -0.897 0.05 0.00 H new ATOM 437 N PRO A 28 -11.588 -8.584 1.281 1.00 0.00 N ATOM 438 CA PRO A 28 -11.884 -8.587 2.717 0.67 0.00 C ATOM 439 C PRO A 28 -11.854 -9.990 3.315 1.00 0.00 C ATOM 440 O PRO A 28 -12.739 -10.806 3.056 0.65 0.00 O ATOM 441 CB PRO A 28 -13.298 -8.010 2.779 0.30 0.00 C ATOM 442 CG PRO A 28 -13.918 -8.399 1.482 1.00 0.00 C ATOM 443 CD PRO A 28 -12.805 -8.394 0.466 1.00 0.00 C ATOM 0 HA PRO A 28 -11.148 -8.022 3.289 0.67 0.00 H new ATOM 0 HB2 PRO A 28 -13.856 -8.416 3.623 0.30 0.00 H new ATOM 0 HB3 PRO A 28 -13.280 -6.927 2.901 0.30 0.00 H new ATOM 0 HG2 PRO A 28 -14.378 -9.385 1.551 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.705 -7.699 1.201 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.926 -9.193 -0.265 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.773 -7.456 -0.089 1.00 0.00 H new ATOM 451 N SER A 29 -10.827 -10.265 4.114 0.42 0.00 N ATOM 452 CA SER A 29 -10.678 -11.567 4.752 1.00 0.00 C ATOM 453 C SER A 29 -10.439 -11.410 6.250 0.36 0.00 C ATOM 454 O SER A 29 -9.762 -10.477 6.682 1.00 0.00 O ATOM 455 CB SER A 29 -9.523 -12.341 4.118 1.00 0.00 C ATOM 456 OG SER A 29 -8.304 -11.622 4.231 0.09 0.00 O ATOM 0 H SER A 29 -10.085 -9.601 4.335 0.42 0.00 H new ATOM 0 HA SER A 29 -11.602 -12.126 4.604 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.422 -13.312 4.603 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.741 -12.530 3.067 1.00 0.00 H new ATOM 0 HG SER A 29 -7.580 -12.139 3.820 0.09 0.00 H new ATOM 462 N GLU A 30 -10.998 -12.331 7.033 0.46 0.00 N ATOM 463 CA GLU A 30 -10.857 -12.304 8.488 1.00 0.00 C ATOM 464 C GLU A 30 -11.489 -11.046 9.078 1.00 0.00 C ATOM 465 O GLU A 30 -12.622 -11.079 9.559 1.00 0.00 O ATOM 466 CB GLU A 30 -9.381 -12.394 8.891 0.34 0.00 C ATOM 467 CG GLU A 30 -8.737 -13.723 8.537 1.00 0.00 C ATOM 468 CD GLU A 30 -9.351 -14.886 9.291 0.24 0.00 C ATOM 469 OE1 GLU A 30 -8.863 -15.201 10.397 0.11 0.00 O ATOM 470 OE2 GLU A 30 -10.321 -15.482 8.777 0.83 0.00 O ATOM 0 H GLU A 30 -11.556 -13.109 6.682 0.46 0.00 H new ATOM 0 HA GLU A 30 -11.382 -13.171 8.889 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.830 -11.590 8.403 0.34 0.00 H new ATOM 0 HB3 GLU A 30 -9.295 -12.232 9.966 0.34 0.00 H new ATOM 0 HG2 GLU A 30 -8.836 -13.897 7.465 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.670 -13.675 8.755 1.00 0.00 H new ATOM 477 N ASN A 31 -10.752 -9.939 9.039 0.10 0.00 N ATOM 478 CA ASN A 31 -11.248 -8.674 9.565 0.14 0.00 C ATOM 479 C ASN A 31 -12.526 -8.255 8.844 0.06 0.00 C ATOM 480 O ASN A 31 -12.686 -8.509 7.650 0.79 0.00 O ATOM 481 CB ASN A 31 -10.183 -7.584 9.421 0.24 0.00 C ATOM 482 CG ASN A 31 -8.919 -7.905 10.195 1.00 0.00 C ATOM 483 OD1 ASN A 31 -8.007 -8.550 9.679 0.90 0.00 O ATOM 484 ND2 ASN A 31 -8.857 -7.452 11.442 1.00 0.00 N ATOM 0 H ASN A 31 -9.811 -9.894 8.649 0.10 0.00 H new ATOM 0 HA ASN A 31 -11.475 -8.809 10.623 0.14 0.00 H new ATOM 0 HB2 ASN A 31 -9.938 -7.457 8.367 0.24 0.00 H new ATOM 0 HB3 ASN A 31 -10.589 -6.635 9.771 0.24 0.00 H new ATOM 0 HD21 ASN A 31 -8.030 -7.635 12.011 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.636 -6.921 11.831 1.00 0.00 H new ATOM 491 N ASN A 32 -13.431 -7.615 9.578 0.05 0.00 N ATOM 492 CA ASN A 32 -14.700 -7.164 9.011 0.47 0.00 C ATOM 493 C ASN A 32 -14.479 -6.157 7.885 0.33 0.00 C ATOM 494 O ASN A 32 -13.347 -5.905 7.475 0.48 0.00 O ATOM 495 CB ASN A 32 -15.576 -6.544 10.100 0.19 0.00 C ATOM 496 CG ASN A 32 -15.960 -7.542 11.175 0.74 0.00 C ATOM 497 OD1 ASN A 32 -16.101 -8.737 10.911 1.00 0.00 O ATOM 498 ND2 ASN A 32 -16.133 -7.055 12.400 1.00 0.00 N ATOM 0 H ASN A 32 -13.310 -7.396 10.567 0.05 0.00 H new ATOM 0 HA ASN A 32 -15.206 -8.034 8.594 0.47 0.00 H new ATOM 0 HB2 ASN A 32 -15.045 -5.709 10.557 0.19 0.00 H new ATOM 0 HB3 ASN A 32 -16.480 -6.137 9.647 0.19 0.00 H new ATOM 0 HD21 ASN A 32 -16.393 -7.678 13.165 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -16.006 -6.058 12.575 1.00 0.00 H new ATOM 505 N ILE A 33 -15.575 -5.584 7.394 0.25 0.00 N ATOM 506 CA ILE A 33 -15.515 -4.605 6.313 0.27 0.00 C ATOM 507 C ILE A 33 -14.618 -3.426 6.685 0.38 0.00 C ATOM 508 O ILE A 33 -14.121 -2.712 5.811 0.27 0.00 O ATOM 509 CB ILE A 33 -16.925 -4.082 5.960 0.29 0.00 C ATOM 510 CG1 ILE A 33 -16.890 -3.259 4.669 1.00 0.00 C ATOM 511 CG2 ILE A 33 -17.488 -3.251 7.105 0.12 0.00 C ATOM 512 CD1 ILE A 33 -16.604 -4.085 3.432 1.00 0.00 C ATOM 0 H ILE A 33 -16.518 -5.782 7.729 0.25 0.00 H new ATOM 0 HA ILE A 33 -15.093 -5.111 5.444 0.27 0.00 H new ATOM 0 HB ILE A 33 -17.578 -4.941 5.801 0.29 0.00 H new ATOM 0 HG12 ILE A 33 -17.847 -2.753 4.545 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -16.129 -2.484 4.762 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -18.482 -2.891 6.839 0.12 0.00 H new ATOM 0 HG22 ILE A 33 -17.553 -3.866 8.003 0.12 0.00 H new ATOM 0 HG23 ILE A 33 -16.833 -2.401 7.294 0.12 0.00 H new ATOM 0 HD11 ILE A 33 -16.594 -3.437 2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -15.634 -4.570 3.535 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -17.378 -4.843 3.314 1.00 0.00 H new ATOM 524 N MET A 34 -14.411 -3.231 7.984 0.06 0.00 N ATOM 525 CA MET A 34 -13.575 -2.138 8.470 0.26 0.00 C ATOM 526 C MET A 34 -12.163 -2.234 7.899 1.00 0.00 C ATOM 527 O MET A 34 -11.662 -1.286 7.295 0.14 0.00 O ATOM 528 CB MET A 34 -13.520 -2.151 10.000 1.00 0.00 C ATOM 529 CG MET A 34 -14.880 -2.002 10.660 0.35 0.00 C ATOM 530 SD MET A 34 -14.795 -2.112 12.458 0.13 0.00 S ATOM 531 CE MET A 34 -16.522 -1.926 12.892 1.00 0.00 C ATOM 0 H MET A 34 -14.810 -3.815 8.719 0.06 0.00 H new ATOM 0 HA MET A 34 -14.019 -1.200 8.136 0.26 0.00 H new ATOM 0 HB2 MET A 34 -13.066 -3.085 10.331 1.00 0.00 H new ATOM 0 HB3 MET A 34 -12.871 -1.343 10.339 1.00 0.00 H new ATOM 0 HG2 MET A 34 -15.313 -1.042 10.379 0.35 0.00 H new ATOM 0 HG3 MET A 34 -15.549 -2.776 10.284 0.35 0.00 H new ATOM 0 HE1 MET A 34 -16.632 -1.973 13.975 1.00 0.00 H new ATOM 0 HE2 MET A 34 -16.886 -0.964 12.531 1.00 0.00 H new ATOM 0 HE3 MET A 34 -17.101 -2.728 12.434 1.00 0.00 H new ATOM 541 N GLN A 35 -11.527 -3.386 8.093 0.91 0.00 N ATOM 542 CA GLN A 35 -10.171 -3.603 7.600 0.98 0.00 C ATOM 543 C GLN A 35 -10.162 -4.549 6.406 0.11 0.00 C ATOM 544 O GLN A 35 -10.957 -5.486 6.331 1.00 0.00 O ATOM 545 CB GLN A 35 -9.283 -4.157 8.713 0.18 0.00 C ATOM 546 CG GLN A 35 -8.814 -3.095 9.690 0.28 0.00 C ATOM 547 CD GLN A 35 -8.088 -3.679 10.885 0.60 0.00 C ATOM 548 OE1 GLN A 35 -6.774 -3.825 10.760 1.00 0.00 O flip ATOM 549 NE2 GLN A 35 -8.699 -3.998 11.904 0.06 0.00 N flip ATOM 0 H GLN A 35 -11.929 -4.183 8.588 0.91 0.00 H new ATOM 0 HA GLN A 35 -9.776 -2.641 7.274 0.98 0.00 H new ATOM 0 HB2 GLN A 35 -9.832 -4.925 9.258 0.18 0.00 H new ATOM 0 HB3 GLN A 35 -8.414 -4.641 8.268 0.18 0.00 H new ATOM 0 HG2 GLN A 35 -8.153 -2.399 9.174 0.28 0.00 H new ATOM 0 HG3 GLN A 35 -9.673 -2.521 10.037 0.28 0.00 H new ATOM 0 HE21 GLN A 35 -9.709 -3.867 11.955 0.06 0.00 H new ATOM 0 HE22 GLN A 35 -8.195 -4.393 12.698 0.06 0.00 H new ATOM 558 N TRP A 36 -9.253 -4.291 5.474 0.50 0.00 N ATOM 559 CA TRP A 36 -9.125 -5.112 4.273 0.05 0.00 C ATOM 560 C TRP A 36 -7.713 -5.672 4.142 0.25 0.00 C ATOM 561 O TRP A 36 -6.739 -5.022 4.525 0.05 0.00 O ATOM 562 CB TRP A 36 -9.474 -4.294 3.027 0.28 0.00 C ATOM 563 CG TRP A 36 -10.943 -4.257 2.719 1.00 0.00 C ATOM 564 CD1 TRP A 36 -11.970 -4.116 3.608 1.00 0.00 C ATOM 565 CD2 TRP A 36 -11.545 -4.360 1.424 0.14 0.00 C ATOM 566 NE1 TRP A 36 -13.174 -4.133 2.945 1.00 0.00 N ATOM 567 CE2 TRP A 36 -12.938 -4.279 1.604 0.05 0.00 C ATOM 568 CE3 TRP A 36 -11.040 -4.514 0.129 0.06 0.00 C ATOM 569 CZ2 TRP A 36 -13.831 -4.348 0.537 0.60 0.00 C ATOM 570 CZ3 TRP A 36 -11.927 -4.581 -0.928 0.43 0.00 C ATOM 571 CH2 TRP A 36 -13.309 -4.498 -0.719 0.07 0.00 C ATOM 0 H TRP A 36 -8.591 -3.517 5.526 0.50 0.00 H new ATOM 0 HA TRP A 36 -9.822 -5.945 4.362 0.05 0.00 H new ATOM 0 HB2 TRP A 36 -9.114 -3.274 3.161 0.28 0.00 H new ATOM 0 HB3 TRP A 36 -8.943 -4.709 2.170 0.28 0.00 H new ATOM 0 HD1 TRP A 36 -11.853 -4.007 4.676 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -14.093 -4.050 3.380 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -9.976 -4.579 -0.042 0.06 0.00 H new ATOM 0 HZ2 TRP A 36 -14.897 -4.285 0.695 0.60 0.00 H new ATOM 0 HZ3 TRP A 36 -11.548 -4.699 -1.932 0.43 0.00 H new ATOM 0 HH2 TRP A 36 -13.976 -4.553 -1.566 0.07 0.00 H new ATOM 582 N ASN A 37 -7.610 -6.879 3.596 0.65 0.00 N ATOM 583 CA ASN A 37 -6.316 -7.526 3.412 1.00 0.00 C ATOM 584 C ASN A 37 -5.956 -7.607 1.932 0.35 0.00 C ATOM 585 O ASN A 37 -6.744 -8.083 1.116 0.74 0.00 O ATOM 586 CB ASN A 37 -6.329 -8.928 4.021 0.15 0.00 C ATOM 587 CG ASN A 37 -5.025 -9.670 3.794 0.76 0.00 C ATOM 588 OD1 ASN A 37 -4.863 -10.372 2.796 0.12 0.00 O ATOM 589 ND2 ASN A 37 -4.088 -9.517 4.722 0.08 0.00 N ATOM 0 H ASN A 37 -8.406 -7.429 3.273 0.65 0.00 H new ATOM 0 HA ASN A 37 -5.563 -6.925 3.921 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.520 -8.854 5.092 0.15 0.00 H new ATOM 0 HB3 ASN A 37 -7.150 -9.501 3.589 0.15 0.00 H new ATOM 0 HD21 ASN A 37 -3.190 -9.991 4.624 0.08 0.00 H new ATOM 0 HD22 ASN A 37 -4.266 -8.925 5.533 0.08 0.00 H new ATOM 596 N ALA A 38 -4.758 -7.140 1.594 0.65 0.00 N ATOM 597 CA ALA A 38 -4.289 -7.160 0.214 0.06 0.00 C ATOM 598 C ALA A 38 -2.815 -7.546 0.144 1.00 0.00 C ATOM 599 O ALA A 38 -2.049 -7.279 1.068 0.06 0.00 O ATOM 600 CB ALA A 38 -4.516 -5.805 -0.441 0.86 0.00 C ATOM 0 H ALA A 38 -4.094 -6.743 2.259 0.65 0.00 H new ATOM 0 HA ALA A 38 -4.861 -7.912 -0.329 0.06 0.00 H new ATOM 0 HB1 ALA A 38 -4.161 -5.835 -1.471 0.86 0.00 H new ATOM 0 HB2 ALA A 38 -5.580 -5.570 -0.431 0.86 0.00 H new ATOM 0 HB3 ALA A 38 -3.970 -5.039 0.109 0.86 0.00 H new ATOM 606 N VAL A 39 -2.429 -8.181 -0.958 0.06 0.00 N ATOM 607 CA VAL A 39 -1.047 -8.604 -1.151 0.42 0.00 C ATOM 608 C VAL A 39 -0.469 -8.001 -2.428 0.99 0.00 C ATOM 609 O VAL A 39 -0.983 -8.234 -3.523 0.12 0.00 O ATOM 610 CB VAL A 39 -0.936 -10.139 -1.225 0.40 0.00 C ATOM 611 CG1 VAL A 39 0.522 -10.575 -1.172 0.69 0.00 C ATOM 612 CG2 VAL A 39 -1.734 -10.787 -0.104 0.26 0.00 C ATOM 0 H VAL A 39 -3.053 -8.414 -1.730 0.06 0.00 H new ATOM 0 HA VAL A 39 -0.479 -8.249 -0.291 0.42 0.00 H new ATOM 0 HB VAL A 39 -1.355 -10.468 -2.176 0.40 0.00 H new ATOM 0 HG11 VAL A 39 0.579 -11.662 -1.226 0.69 0.00 H new ATOM 0 HG12 VAL A 39 1.062 -10.142 -2.014 0.69 0.00 H new ATOM 0 HG13 VAL A 39 0.970 -10.234 -0.239 0.69 0.00 H new ATOM 0 HG21 VAL A 39 -1.644 -11.871 -0.173 0.26 0.00 H new ATOM 0 HG22 VAL A 39 -1.348 -10.451 0.858 0.26 0.00 H new ATOM 0 HG23 VAL A 39 -2.783 -10.504 -0.193 0.26 0.00 H new ATOM 622 N ILE A 40 0.601 -7.228 -2.281 0.07 0.00 N ATOM 623 CA ILE A 40 1.246 -6.589 -3.421 1.00 0.00 C ATOM 624 C ILE A 40 2.531 -7.317 -3.799 0.26 0.00 C ATOM 625 O ILE A 40 3.449 -7.441 -2.988 0.09 0.00 O ATOM 626 CB ILE A 40 1.568 -5.107 -3.132 1.00 0.00 C ATOM 627 CG1 ILE A 40 0.284 -4.334 -2.814 0.71 0.00 C ATOM 628 CG2 ILE A 40 2.291 -4.482 -4.317 0.78 0.00 C ATOM 629 CD1 ILE A 40 0.528 -2.900 -2.393 1.00 0.00 C ATOM 0 H ILE A 40 1.040 -7.029 -1.382 0.07 0.00 H new ATOM 0 HA ILE A 40 0.544 -6.640 -4.253 1.00 0.00 H new ATOM 0 HB ILE A 40 2.224 -5.056 -2.263 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.361 -4.341 -3.692 0.71 0.00 H new ATOM 0 HG13 ILE A 40 -0.254 -4.851 -2.019 0.71 0.00 H new ATOM 0 HG21 ILE A 40 2.512 -3.437 -4.099 0.78 0.00 H new ATOM 0 HG22 ILE A 40 3.222 -5.019 -4.500 0.78 0.00 H new ATOM 0 HG23 ILE A 40 1.658 -4.542 -5.202 0.78 0.00 H new ATOM 0 HD11 ILE A 40 -0.425 -2.415 -2.184 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.147 -2.884 -1.496 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.038 -2.367 -3.195 1.00 0.00 H new ATOM 641 N PHE A 41 2.587 -7.799 -5.036 0.53 0.00 N ATOM 642 CA PHE A 41 3.759 -8.515 -5.527 0.06 0.00 C ATOM 643 C PHE A 41 4.702 -7.570 -6.263 0.07 0.00 C ATOM 644 O PHE A 41 4.270 -6.562 -6.824 1.00 0.00 O ATOM 645 CB PHE A 41 3.337 -9.659 -6.449 0.70 0.00 C ATOM 646 CG PHE A 41 2.381 -10.629 -5.810 0.97 0.00 C ATOM 647 CD1 PHE A 41 2.708 -11.263 -4.622 0.06 0.00 C ATOM 648 CD2 PHE A 41 1.157 -10.905 -6.398 0.61 0.00 C ATOM 649 CE1 PHE A 41 1.834 -12.158 -4.033 1.00 0.00 C ATOM 650 CE2 PHE A 41 0.279 -11.800 -5.815 0.06 0.00 C ATOM 651 CZ PHE A 41 0.618 -12.426 -4.631 0.71 0.00 C ATOM 0 H PHE A 41 1.834 -7.707 -5.718 0.53 0.00 H new ATOM 0 HA PHE A 41 4.287 -8.930 -4.669 0.06 0.00 H new ATOM 0 HB2 PHE A 41 2.874 -9.241 -7.343 0.70 0.00 H new ATOM 0 HB3 PHE A 41 4.226 -10.199 -6.774 0.70 0.00 H new ATOM 0 HD1 PHE A 41 3.657 -11.056 -4.150 0.06 0.00 H new ATOM 0 HD2 PHE A 41 0.886 -10.416 -7.322 0.61 0.00 H new ATOM 0 HE1 PHE A 41 2.101 -12.646 -3.108 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.671 -12.009 -6.285 0.06 0.00 H new ATOM 0 HZ PHE A 41 -0.067 -13.124 -4.173 0.71 0.00 H new ATOM 661 N GLY A 42 5.990 -7.902 -6.256 0.48 0.00 N ATOM 662 CA GLY A 42 6.978 -7.072 -6.921 0.06 0.00 C ATOM 663 C GLY A 42 6.630 -6.794 -8.375 0.80 0.00 C ATOM 664 O GLY A 42 6.073 -7.658 -9.054 0.30 0.00 O ATOM 0 H GLY A 42 6.367 -8.733 -5.800 0.48 0.00 H new ATOM 0 HA2 GLY A 42 7.071 -6.126 -6.387 0.06 0.00 H new ATOM 0 HA3 GLY A 42 7.950 -7.562 -6.872 0.06 0.00 H new ATOM 668 N PRO A 43 6.948 -5.588 -8.885 0.37 0.00 N ATOM 669 CA PRO A 43 6.659 -5.213 -10.270 0.19 0.00 C ATOM 670 C PRO A 43 7.644 -5.827 -11.257 1.00 0.00 C ATOM 671 O PRO A 43 7.609 -5.529 -12.452 1.00 0.00 O ATOM 672 CB PRO A 43 6.809 -3.697 -10.256 1.00 0.00 C ATOM 673 CG PRO A 43 7.809 -3.425 -9.186 1.00 0.00 C ATOM 674 CD PRO A 43 7.617 -4.496 -8.146 1.00 0.00 C ATOM 0 HA PRO A 43 5.678 -5.563 -10.590 0.19 0.00 H new ATOM 0 HB2 PRO A 43 7.151 -3.324 -11.221 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.859 -3.207 -10.044 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.823 -3.449 -9.586 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.659 -2.435 -8.756 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.569 -4.821 -7.726 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.006 -4.142 -7.315 1.00 0.00 H new ATOM 682 N GLU A 44 8.521 -6.677 -10.740 1.00 0.00 N ATOM 683 CA GLU A 44 9.535 -7.345 -11.552 1.00 0.00 C ATOM 684 C GLU A 44 10.544 -6.335 -12.088 0.06 0.00 C ATOM 685 O GLU A 44 10.254 -5.582 -13.017 0.21 0.00 O ATOM 686 CB GLU A 44 8.890 -8.109 -12.711 0.17 0.00 C ATOM 687 CG GLU A 44 9.885 -8.908 -13.535 0.09 0.00 C ATOM 688 CD GLU A 44 9.234 -9.636 -14.693 0.07 0.00 C ATOM 689 OE1 GLU A 44 9.114 -9.033 -15.782 0.58 0.00 O ATOM 690 OE2 GLU A 44 8.841 -10.807 -14.513 1.00 0.00 O ATOM 0 H GLU A 44 8.552 -6.924 -9.751 1.00 0.00 H new ATOM 0 HA GLU A 44 10.057 -8.059 -10.916 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.133 -8.785 -12.314 0.17 0.00 H new ATOM 0 HB3 GLU A 44 8.376 -7.401 -13.362 0.17 0.00 H new ATOM 0 HG2 GLU A 44 10.654 -8.238 -13.919 0.09 0.00 H new ATOM 0 HG3 GLU A 44 10.385 -9.632 -12.891 0.09 0.00 H new ATOM 697 N GLY A 45 11.734 -6.328 -11.492 0.97 0.00 N ATOM 698 CA GLY A 45 12.771 -5.404 -11.912 0.73 0.00 C ATOM 699 C GLY A 45 13.322 -4.604 -10.749 0.05 0.00 C ATOM 700 O GLY A 45 14.054 -3.633 -10.945 1.00 0.00 O ATOM 0 H GLY A 45 11.997 -6.947 -10.725 0.97 0.00 H new ATOM 0 HA2 GLY A 45 13.580 -5.959 -12.387 0.73 0.00 H new ATOM 0 HA3 GLY A 45 12.368 -4.723 -12.662 0.73 0.00 H new ATOM 704 N THR A 46 12.969 -5.015 -9.536 0.13 0.00 N ATOM 705 CA THR A 46 13.425 -4.339 -8.328 0.71 0.00 C ATOM 706 C THR A 46 13.944 -5.347 -7.306 0.65 0.00 C ATOM 707 O THR A 46 13.614 -6.528 -7.378 0.08 0.00 O ATOM 708 CB THR A 46 12.288 -3.515 -7.689 0.58 0.00 C ATOM 709 OG1 THR A 46 11.209 -4.377 -7.313 0.07 0.00 O ATOM 710 CG2 THR A 46 11.781 -2.455 -8.654 1.00 0.00 C ATOM 0 H THR A 46 12.365 -5.818 -9.363 0.13 0.00 H new ATOM 0 HA THR A 46 14.233 -3.667 -8.618 0.71 0.00 H new ATOM 0 HB THR A 46 12.683 -3.020 -6.802 0.58 0.00 H new ATOM 0 HG1 THR A 46 10.492 -3.846 -6.907 0.07 0.00 H new ATOM 0 HG21 THR A 46 10.980 -1.886 -8.182 1.00 0.00 H new ATOM 0 HG22 THR A 46 12.597 -1.782 -8.917 1.00 0.00 H new ATOM 0 HG23 THR A 46 11.402 -2.936 -9.556 1.00 0.00 H new ATOM 718 N PRO A 47 14.769 -4.903 -6.337 0.32 0.00 N ATOM 719 CA PRO A 47 15.319 -5.795 -5.309 1.00 0.00 C ATOM 720 C PRO A 47 14.238 -6.360 -4.390 0.07 0.00 C ATOM 721 O PRO A 47 14.522 -7.172 -3.509 0.48 0.00 O ATOM 722 CB PRO A 47 16.276 -4.896 -4.521 0.28 0.00 C ATOM 723 CG PRO A 47 15.802 -3.507 -4.778 0.07 0.00 C ATOM 724 CD PRO A 47 15.238 -3.514 -6.171 0.72 0.00 C ATOM 0 HA PRO A 47 15.803 -6.667 -5.749 1.00 0.00 H new ATOM 0 HB2 PRO A 47 16.251 -5.131 -3.457 0.28 0.00 H new ATOM 0 HB3 PRO A 47 17.306 -5.029 -4.853 0.28 0.00 H new ATOM 0 HG2 PRO A 47 15.045 -3.212 -4.052 0.07 0.00 H new ATOM 0 HG3 PRO A 47 16.621 -2.793 -4.692 0.07 0.00 H new ATOM 0 HD2 PRO A 47 14.423 -2.798 -6.279 0.72 0.00 H new ATOM 0 HD3 PRO A 47 15.993 -3.252 -6.913 0.72 0.00 H new ATOM 732 N PHE A 48 12.999 -5.927 -4.601 0.17 0.00 N ATOM 733 CA PHE A 48 11.876 -6.395 -3.793 0.69 0.00 C ATOM 734 C PHE A 48 11.129 -7.518 -4.505 0.60 0.00 C ATOM 735 O PHE A 48 10.301 -8.203 -3.905 0.07 0.00 O ATOM 736 CB PHE A 48 10.914 -5.245 -3.498 0.27 0.00 C ATOM 737 CG PHE A 48 11.589 -4.019 -2.953 0.11 0.00 C ATOM 738 CD1 PHE A 48 11.925 -3.935 -1.611 1.00 0.00 C ATOM 739 CD2 PHE A 48 11.882 -2.951 -3.783 0.32 0.00 C ATOM 740 CE1 PHE A 48 12.545 -2.805 -1.109 0.07 0.00 C ATOM 741 CE2 PHE A 48 12.500 -1.820 -3.287 1.00 0.00 C ATOM 742 CZ PHE A 48 12.832 -1.746 -1.948 1.00 0.00 C ATOM 0 H PHE A 48 12.746 -5.253 -5.324 0.17 0.00 H new ATOM 0 HA PHE A 48 12.274 -6.778 -2.853 0.69 0.00 H new ATOM 0 HB2 PHE A 48 10.385 -4.981 -4.414 0.27 0.00 H new ATOM 0 HB3 PHE A 48 10.164 -5.584 -2.783 0.27 0.00 H new ATOM 0 HD1 PHE A 48 11.701 -4.760 -0.951 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.624 -3.003 -4.831 0.32 0.00 H new ATOM 0 HE1 PHE A 48 12.804 -2.751 -0.062 0.07 0.00 H new ATOM 0 HE2 PHE A 48 12.724 -0.994 -3.946 1.00 0.00 H new ATOM 0 HZ PHE A 48 13.315 -0.862 -1.558 1.00 0.00 H new ATOM 752 N GLU A 49 11.426 -7.695 -5.789 0.28 0.00 N ATOM 753 CA GLU A 49 10.782 -8.730 -6.589 0.53 0.00 C ATOM 754 C GLU A 49 11.072 -10.121 -6.029 0.93 0.00 C ATOM 755 O GLU A 49 10.279 -11.047 -6.203 0.44 0.00 O ATOM 756 CB GLU A 49 11.249 -8.646 -8.046 0.06 0.00 C ATOM 757 CG GLU A 49 12.656 -9.184 -8.271 0.13 0.00 C ATOM 758 CD GLU A 49 13.111 -9.044 -9.711 0.14 0.00 C ATOM 759 OE1 GLU A 49 12.827 -9.957 -10.515 0.64 0.00 O ATOM 760 OE2 GLU A 49 13.752 -8.021 -10.034 0.11 0.00 O ATOM 0 H GLU A 49 12.109 -7.134 -6.298 0.28 0.00 H new ATOM 0 HA GLU A 49 9.706 -8.562 -6.548 0.53 0.00 H new ATOM 0 HB2 GLU A 49 10.553 -9.202 -8.674 0.06 0.00 H new ATOM 0 HB3 GLU A 49 11.211 -7.606 -8.371 0.06 0.00 H new ATOM 0 HG2 GLU A 49 13.352 -8.654 -7.621 0.13 0.00 H new ATOM 0 HG3 GLU A 49 12.689 -10.235 -7.984 0.13 0.00 H new ATOM 767 N ASP A 50 12.211 -10.259 -5.359 0.91 0.00 N ATOM 768 CA ASP A 50 12.606 -11.540 -4.778 0.24 0.00 C ATOM 769 C ASP A 50 11.805 -11.842 -3.516 1.00 0.00 C ATOM 770 O ASP A 50 12.002 -12.877 -2.880 0.27 0.00 O ATOM 771 CB ASP A 50 14.102 -11.540 -4.459 0.36 0.00 C ATOM 772 CG ASP A 50 14.959 -11.296 -5.685 0.07 0.00 C ATOM 773 OD1 ASP A 50 15.237 -12.268 -6.418 1.00 0.00 O ATOM 774 OD2 ASP A 50 15.351 -10.132 -5.914 0.93 0.00 O ATOM 0 H ASP A 50 12.877 -9.502 -5.204 0.91 0.00 H new ATOM 0 HA ASP A 50 12.397 -12.319 -5.511 0.24 0.00 H new ATOM 0 HB2 ASP A 50 14.311 -10.771 -3.715 0.36 0.00 H new ATOM 0 HB3 ASP A 50 14.375 -12.497 -4.014 0.36 0.00 H new ATOM 779 N GLY A 51 10.903 -10.933 -3.157 1.00 0.00 N ATOM 780 CA GLY A 51 10.090 -11.124 -1.971 0.13 0.00 C ATOM 781 C GLY A 51 8.683 -10.587 -2.136 0.08 0.00 C ATOM 782 O GLY A 51 8.346 -10.010 -3.171 0.40 0.00 O ATOM 0 H GLY A 51 10.721 -10.068 -3.667 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.044 -12.187 -1.734 0.13 0.00 H new ATOM 0 HA3 GLY A 51 10.567 -10.629 -1.125 0.13 0.00 H new ATOM 786 N THR A 52 7.857 -10.777 -1.112 0.05 0.00 N ATOM 787 CA THR A 52 6.478 -10.309 -1.140 1.00 0.00 C ATOM 788 C THR A 52 6.167 -9.449 0.082 0.27 0.00 C ATOM 789 O THR A 52 6.773 -9.617 1.140 0.08 0.00 O ATOM 790 CB THR A 52 5.489 -11.487 -1.195 0.73 0.00 C ATOM 791 OG1 THR A 52 5.717 -12.372 -0.091 0.12 0.00 O ATOM 792 CG2 THR A 52 5.637 -12.250 -2.502 0.06 0.00 C ATOM 0 H THR A 52 8.121 -11.254 -0.250 0.05 0.00 H new ATOM 0 HA THR A 52 6.363 -9.707 -2.042 1.00 0.00 H new ATOM 0 HB THR A 52 4.476 -11.088 -1.135 0.73 0.00 H new ATOM 0 HG1 THR A 52 5.082 -13.118 -0.133 0.12 0.00 H new ATOM 0 HG21 THR A 52 4.929 -13.079 -2.522 0.06 0.00 H new ATOM 0 HG22 THR A 52 5.436 -11.581 -3.339 0.06 0.00 H new ATOM 0 HG23 THR A 52 6.652 -12.638 -2.584 0.06 0.00 H new ATOM 800 N PHE A 53 5.222 -8.526 -0.074 0.46 0.00 N ATOM 801 CA PHE A 53 4.836 -7.636 1.016 0.12 0.00 C ATOM 802 C PHE A 53 3.322 -7.598 1.188 0.75 0.00 C ATOM 803 O PHE A 53 2.578 -7.490 0.214 0.15 0.00 O ATOM 804 CB PHE A 53 5.368 -6.224 0.760 0.11 0.00 C ATOM 805 CG PHE A 53 6.843 -6.082 1.008 1.00 0.00 C ATOM 806 CD1 PHE A 53 7.764 -6.526 0.075 0.13 0.00 C ATOM 807 CD2 PHE A 53 7.306 -5.504 2.179 1.00 0.00 C ATOM 808 CE1 PHE A 53 9.120 -6.396 0.302 0.05 0.00 C ATOM 809 CE2 PHE A 53 8.662 -5.370 2.413 0.16 0.00 C ATOM 810 CZ PHE A 53 9.571 -5.819 1.474 0.43 0.00 C ATOM 0 H PHE A 53 4.710 -8.375 -0.943 0.46 0.00 H new ATOM 0 HA PHE A 53 5.274 -8.024 1.936 0.12 0.00 H new ATOM 0 HB2 PHE A 53 5.153 -5.946 -0.272 0.11 0.00 H new ATOM 0 HB3 PHE A 53 4.832 -5.522 1.398 0.11 0.00 H new ATOM 0 HD1 PHE A 53 7.418 -6.980 -0.842 0.13 0.00 H new ATOM 0 HD2 PHE A 53 6.600 -5.154 2.917 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.827 -6.745 -0.436 0.05 0.00 H new ATOM 0 HE2 PHE A 53 9.010 -4.915 3.328 0.16 0.00 H new ATOM 0 HZ PHE A 53 10.631 -5.719 1.656 0.43 0.00 H new ATOM 820 N LYS A 54 2.875 -7.683 2.438 1.00 0.00 N ATOM 821 CA LYS A 54 1.450 -7.649 2.749 0.83 0.00 C ATOM 822 C LYS A 54 1.093 -6.365 3.489 0.28 0.00 C ATOM 823 O LYS A 54 1.837 -5.913 4.359 0.31 0.00 O ATOM 824 CB LYS A 54 1.059 -8.865 3.593 0.10 0.00 C ATOM 825 CG LYS A 54 1.234 -10.190 2.868 0.12 0.00 C ATOM 826 CD LYS A 54 0.878 -11.371 3.761 1.00 0.00 C ATOM 827 CE LYS A 54 -0.598 -11.376 4.126 1.00 0.00 C ATOM 828 NZ LYS A 54 -0.945 -12.510 5.025 1.00 0.00 N ATOM 0 H LYS A 54 3.481 -7.776 3.253 1.00 0.00 H new ATOM 0 HA LYS A 54 0.895 -7.677 1.811 0.83 0.00 H new ATOM 0 HB2 LYS A 54 1.661 -8.875 4.502 0.10 0.00 H new ATOM 0 HB3 LYS A 54 0.018 -8.764 3.901 0.10 0.00 H new ATOM 0 HG2 LYS A 54 0.605 -10.204 1.978 0.12 0.00 H new ATOM 0 HG3 LYS A 54 2.266 -10.287 2.530 0.12 0.00 H new ATOM 0 HD2 LYS A 54 1.130 -12.301 3.252 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.478 -11.333 4.671 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.854 -10.435 4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.196 -11.438 3.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.960 -12.477 5.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.725 -13.409 4.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.393 -12.438 5.904 1.00 0.00 H new ATOM 842 N LEU A 55 -0.048 -5.782 3.140 0.52 0.00 N ATOM 843 CA LEU A 55 -0.495 -4.545 3.770 1.00 0.00 C ATOM 844 C LEU A 55 -1.990 -4.587 4.077 0.19 0.00 C ATOM 845 O LEU A 55 -2.718 -5.433 3.558 0.06 0.00 O ATOM 846 CB LEU A 55 -0.169 -3.329 2.886 0.17 0.00 C ATOM 847 CG LEU A 55 -0.333 -3.511 1.365 0.08 0.00 C ATOM 848 CD1 LEU A 55 0.808 -4.341 0.790 1.00 0.00 C ATOM 849 CD2 LEU A 55 -1.675 -4.144 1.025 0.41 0.00 C ATOM 0 H LEU A 55 -0.679 -6.145 2.426 0.52 0.00 H new ATOM 0 HA LEU A 55 0.044 -4.445 4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.805 -2.501 3.199 0.17 0.00 H new ATOM 0 HB3 LEU A 55 0.861 -3.032 3.083 0.17 0.00 H new ATOM 0 HG LEU A 55 -0.302 -2.521 0.911 0.08 0.00 H new ATOM 0 HD11 LEU A 55 0.669 -4.455 -0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.756 -3.839 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.816 -5.324 1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.760 -4.259 -0.056 0.41 0.00 H new ATOM 0 HD22 LEU A 55 -1.747 -5.122 1.501 0.41 0.00 H new ATOM 0 HD23 LEU A 55 -2.481 -3.505 1.386 0.41 0.00 H new ATOM 861 N VAL A 56 -2.436 -3.670 4.931 1.00 0.00 N ATOM 862 CA VAL A 56 -3.842 -3.595 5.307 0.19 0.00 C ATOM 863 C VAL A 56 -4.429 -2.229 4.956 0.14 0.00 C ATOM 864 O VAL A 56 -3.795 -1.196 5.172 0.07 0.00 O ATOM 865 CB VAL A 56 -4.038 -3.861 6.814 1.00 0.00 C ATOM 866 CG1 VAL A 56 -3.250 -2.860 7.645 0.12 0.00 C ATOM 867 CG2 VAL A 56 -5.515 -3.824 7.178 1.00 0.00 C ATOM 0 H VAL A 56 -1.843 -2.969 5.375 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.365 -4.368 4.743 0.19 0.00 H new ATOM 0 HB VAL A 56 -3.658 -4.858 7.037 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.403 -3.066 8.704 0.12 0.00 H new ATOM 0 HG12 VAL A 56 -2.189 -2.945 7.408 0.12 0.00 H new ATOM 0 HG13 VAL A 56 -3.592 -1.850 7.419 0.12 0.00 H new ATOM 0 HG21 VAL A 56 -5.632 -4.014 8.245 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.925 -2.843 6.937 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.048 -4.589 6.613 1.00 0.00 H new ATOM 877 N ILE A 57 -5.642 -2.236 4.415 0.29 0.00 N ATOM 878 CA ILE A 57 -6.316 -1.000 4.035 0.13 0.00 C ATOM 879 C ILE A 57 -7.529 -0.752 4.924 0.34 0.00 C ATOM 880 O ILE A 57 -8.516 -1.484 4.862 0.17 0.00 O ATOM 881 CB ILE A 57 -6.772 -1.028 2.560 0.20 0.00 C ATOM 882 CG1 ILE A 57 -5.583 -1.279 1.628 0.05 0.00 C ATOM 883 CG2 ILE A 57 -7.463 0.277 2.194 0.07 0.00 C ATOM 884 CD1 ILE A 57 -5.176 -2.733 1.533 0.95 0.00 C ATOM 0 H ILE A 57 -6.179 -3.083 4.230 0.29 0.00 H new ATOM 0 HA ILE A 57 -5.594 -0.193 4.163 0.13 0.00 H new ATOM 0 HB ILE A 57 -7.482 -1.846 2.438 0.20 0.00 H new ATOM 0 HG12 ILE A 57 -5.832 -0.916 0.631 0.05 0.00 H new ATOM 0 HG13 ILE A 57 -4.731 -0.695 1.976 0.05 0.00 H new ATOM 0 HG21 ILE A 57 -7.778 0.242 1.151 0.07 0.00 H new ATOM 0 HG22 ILE A 57 -8.335 0.418 2.832 0.07 0.00 H new ATOM 0 HG23 ILE A 57 -6.771 1.107 2.336 0.07 0.00 H new ATOM 0 HD11 ILE A 57 -4.328 -2.830 0.855 0.95 0.00 H new ATOM 0 HD12 ILE A 57 -4.894 -3.097 2.521 0.95 0.00 H new ATOM 0 HD13 ILE A 57 -6.012 -3.321 1.155 0.95 0.00 H new ATOM 896 N GLU A 58 -7.448 0.285 5.752 0.12 0.00 N ATOM 897 CA GLU A 58 -8.539 0.625 6.656 0.21 0.00 C ATOM 898 C GLU A 58 -9.545 1.552 5.980 0.14 0.00 C ATOM 899 O GLU A 58 -9.190 2.331 5.094 0.38 0.00 O ATOM 900 CB GLU A 58 -7.994 1.285 7.922 0.88 0.00 C ATOM 901 CG GLU A 58 -7.043 0.399 8.711 0.78 0.00 C ATOM 902 CD GLU A 58 -6.502 1.085 9.950 0.08 0.00 C ATOM 903 OE1 GLU A 58 -7.140 0.975 11.017 0.54 0.00 O ATOM 904 OE2 GLU A 58 -5.438 1.734 9.851 0.57 0.00 O ATOM 0 H GLU A 58 -6.639 0.903 5.815 0.12 0.00 H new ATOM 0 HA GLU A 58 -9.050 -0.299 6.925 0.21 0.00 H new ATOM 0 HB2 GLU A 58 -7.477 2.205 7.648 0.88 0.00 H new ATOM 0 HB3 GLU A 58 -8.829 1.567 8.563 0.88 0.00 H new ATOM 0 HG2 GLU A 58 -7.561 -0.515 9.003 0.78 0.00 H new ATOM 0 HG3 GLU A 58 -6.212 0.104 8.071 0.78 0.00 H new ATOM 911 N PHE A 59 -10.804 1.460 6.402 0.10 0.00 N ATOM 912 CA PHE A 59 -11.864 2.290 5.841 0.08 0.00 C ATOM 913 C PHE A 59 -12.737 2.881 6.944 0.25 0.00 C ATOM 914 O PHE A 59 -12.901 2.280 8.005 0.09 0.00 O ATOM 915 CB PHE A 59 -12.734 1.470 4.886 0.63 0.00 C ATOM 916 CG PHE A 59 -12.042 1.091 3.608 0.08 0.00 C ATOM 917 CD1 PHE A 59 -11.942 1.997 2.566 1.00 0.00 C ATOM 918 CD2 PHE A 59 -11.499 -0.173 3.447 0.22 0.00 C ATOM 919 CE1 PHE A 59 -11.312 1.651 1.386 0.51 0.00 C ATOM 920 CE2 PHE A 59 -10.867 -0.526 2.271 1.00 0.00 C ATOM 921 CZ PHE A 59 -10.773 0.386 1.238 0.69 0.00 C ATOM 0 H PHE A 59 -11.114 0.818 7.131 0.10 0.00 H new ATOM 0 HA PHE A 59 -11.394 3.105 5.292 0.08 0.00 H new ATOM 0 HB2 PHE A 59 -13.059 0.563 5.395 0.63 0.00 H new ATOM 0 HB3 PHE A 59 -13.631 2.041 4.647 0.63 0.00 H new ATOM 0 HD1 PHE A 59 -12.361 2.986 2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -11.571 -0.891 4.251 0.22 0.00 H new ATOM 0 HE1 PHE A 59 -11.241 2.367 0.581 0.51 0.00 H new ATOM 0 HE2 PHE A 59 -10.447 -1.514 2.159 1.00 0.00 H new ATOM 0 HZ PHE A 59 -10.280 0.112 0.317 0.69 0.00 H new ATOM 931 N SER A 60 -13.293 4.059 6.684 0.64 0.00 N ATOM 932 CA SER A 60 -14.155 4.729 7.651 0.19 0.00 C ATOM 933 C SER A 60 -15.610 4.661 7.205 0.18 0.00 C ATOM 934 O SER A 60 -15.917 4.841 6.026 1.00 0.00 O ATOM 935 CB SER A 60 -13.731 6.189 7.824 1.00 0.00 C ATOM 936 OG SER A 60 -12.393 6.283 8.279 0.18 0.00 O ATOM 0 H SER A 60 -13.162 4.570 5.811 0.64 0.00 H new ATOM 0 HA SER A 60 -14.056 4.218 8.608 0.19 0.00 H new ATOM 0 HB2 SER A 60 -13.833 6.715 6.875 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.395 6.682 8.534 1.00 0.00 H new ATOM 0 HG SER A 60 -12.147 7.226 8.379 0.18 0.00 H new ATOM 942 N GLU A 61 -16.505 4.399 8.153 1.00 0.00 N ATOM 943 CA GLU A 61 -17.929 4.308 7.852 0.30 0.00 C ATOM 944 C GLU A 61 -18.523 5.687 7.583 0.36 0.00 C ATOM 945 O GLU A 61 -19.730 5.825 7.382 0.25 0.00 O ATOM 946 CB GLU A 61 -18.673 3.630 9.005 0.23 0.00 C ATOM 947 CG GLU A 61 -18.195 2.214 9.284 0.69 0.00 C ATOM 948 CD GLU A 61 -19.015 1.519 10.354 0.86 0.00 C ATOM 949 OE1 GLU A 61 -20.029 0.880 10.002 0.17 0.00 O ATOM 950 OE2 GLU A 61 -18.642 1.612 11.542 1.00 0.00 O ATOM 0 H GLU A 61 -16.270 4.246 9.134 1.00 0.00 H new ATOM 0 HA GLU A 61 -18.045 3.706 6.951 0.30 0.00 H new ATOM 0 HB2 GLU A 61 -18.553 4.230 9.907 0.23 0.00 H new ATOM 0 HB3 GLU A 61 -19.738 3.607 8.776 0.23 0.00 H new ATOM 0 HG2 GLU A 61 -18.239 1.632 8.363 0.69 0.00 H new ATOM 0 HG3 GLU A 61 -17.150 2.242 9.594 0.69 0.00 H new ATOM 957 N GLU A 62 -17.667 6.706 7.579 0.81 0.00 N ATOM 958 CA GLU A 62 -18.106 8.075 7.330 0.71 0.00 C ATOM 959 C GLU A 62 -18.677 8.220 5.925 1.00 0.00 C ATOM 960 O GLU A 62 -19.893 8.159 5.727 0.77 0.00 O ATOM 961 CB GLU A 62 -16.941 9.050 7.521 0.75 0.00 C ATOM 962 CG GLU A 62 -16.521 9.220 8.971 1.00 0.00 C ATOM 963 CD GLU A 62 -15.433 10.261 9.146 0.39 0.00 C ATOM 964 OE1 GLU A 62 -15.771 11.446 9.343 0.07 0.00 O ATOM 965 OE2 GLU A 62 -14.241 9.890 9.086 0.09 0.00 O ATOM 0 H GLU A 62 -16.665 6.609 7.745 0.81 0.00 H new ATOM 0 HA GLU A 62 -18.892 8.311 8.047 0.71 0.00 H new ATOM 0 HB2 GLU A 62 -16.086 8.699 6.943 0.75 0.00 H new ATOM 0 HB3 GLU A 62 -17.222 10.022 7.117 0.75 0.00 H new ATOM 0 HG2 GLU A 62 -17.389 9.504 9.566 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.169 8.264 9.358 1.00 0.00 H new ATOM 972 N TYR A 63 -17.795 8.408 4.950 1.00 0.00 N ATOM 973 CA TYR A 63 -18.205 8.563 3.561 0.15 0.00 C ATOM 974 C TYR A 63 -17.214 7.875 2.624 1.00 0.00 C ATOM 975 O TYR A 63 -16.048 7.690 2.974 0.68 0.00 O ATOM 976 CB TYR A 63 -18.318 10.047 3.202 1.00 0.00 C ATOM 977 CG TYR A 63 -19.419 10.772 3.943 0.59 0.00 C ATOM 978 CD1 TYR A 63 -20.708 10.833 3.425 0.16 0.00 C ATOM 979 CD2 TYR A 63 -19.171 11.397 5.158 1.00 0.00 C ATOM 980 CE1 TYR A 63 -21.717 11.494 4.098 1.00 0.00 C ATOM 981 CE2 TYR A 63 -20.175 12.060 5.839 0.40 0.00 C ATOM 982 CZ TYR A 63 -21.446 12.105 5.305 0.43 0.00 C ATOM 983 OH TYR A 63 -22.449 12.763 5.978 0.74 0.00 O ATOM 0 H TYR A 63 -16.787 8.457 5.098 1.00 0.00 H new ATOM 0 HA TYR A 63 -19.181 8.093 3.440 0.15 0.00 H new ATOM 0 HB2 TYR A 63 -17.367 10.536 3.414 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -18.492 10.140 2.130 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -20.924 10.356 2.481 0.16 0.00 H new ATOM 0 HD2 TYR A 63 -18.177 11.365 5.578 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -22.713 11.532 3.682 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -19.965 12.540 6.784 0.40 0.00 H new ATOM 0 HH TYR A 63 -22.093 13.137 6.811 0.74 0.00 H new ATOM 993 N PRO A 64 -17.664 7.484 1.417 1.00 0.00 N ATOM 994 CA PRO A 64 -16.804 6.816 0.436 0.06 0.00 C ATOM 995 C PRO A 64 -15.819 7.775 -0.221 0.44 0.00 C ATOM 996 O PRO A 64 -15.012 7.372 -1.060 0.17 0.00 O ATOM 997 CB PRO A 64 -17.798 6.280 -0.594 0.06 0.00 C ATOM 998 CG PRO A 64 -18.955 7.216 -0.521 0.33 0.00 C ATOM 999 CD PRO A 64 -19.042 7.661 0.915 0.80 0.00 C ATOM 0 HA PRO A 64 -16.184 6.045 0.893 0.06 0.00 H new ATOM 0 HB2 PRO A 64 -17.363 6.264 -1.593 0.06 0.00 H new ATOM 0 HB3 PRO A 64 -18.099 5.259 -0.361 0.06 0.00 H new ATOM 0 HG2 PRO A 64 -18.809 8.068 -1.185 0.33 0.00 H new ATOM 0 HG3 PRO A 64 -19.876 6.723 -0.833 0.33 0.00 H new ATOM 0 HD2 PRO A 64 -19.368 8.698 0.994 0.80 0.00 H new ATOM 0 HD3 PRO A 64 -19.755 7.059 1.479 0.80 0.00 H new ATOM 1007 N ASN A 65 -15.887 9.047 0.163 0.46 0.00 N ATOM 1008 CA ASN A 65 -15.001 10.064 -0.392 0.19 0.00 C ATOM 1009 C ASN A 65 -13.903 10.443 0.599 0.07 0.00 C ATOM 1010 O ASN A 65 -12.884 11.018 0.214 0.21 0.00 O ATOM 1011 CB ASN A 65 -15.799 11.307 -0.794 1.00 0.00 C ATOM 1012 CG ASN A 65 -16.875 11.655 0.214 0.08 0.00 C ATOM 1013 OD1 ASN A 65 -18.074 11.127 0.000 0.16 0.00 O flip ATOM 1014 ND2 ASN A 65 -16.632 12.390 1.171 1.00 0.00 N flip ATOM 0 H ASN A 65 -16.547 9.397 0.857 0.46 0.00 H new ATOM 0 HA ASN A 65 -14.527 9.644 -1.279 0.19 0.00 H new ATOM 0 HB2 ASN A 65 -15.119 12.152 -0.902 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.258 11.141 -1.768 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -15.695 12.773 1.295 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.368 12.616 1.840 1.00 0.00 H new ATOM 1021 N LYS A 66 -14.113 10.121 1.873 0.07 0.00 N ATOM 1022 CA LYS A 66 -13.131 10.432 2.908 0.33 0.00 C ATOM 1023 C LYS A 66 -11.799 9.741 2.619 0.12 0.00 C ATOM 1024 O LYS A 66 -11.775 8.639 2.069 1.00 0.00 O ATOM 1025 CB LYS A 66 -13.651 10.011 4.286 0.05 0.00 C ATOM 1026 CG LYS A 66 -14.876 10.789 4.745 0.53 0.00 C ATOM 1027 CD LYS A 66 -14.586 12.281 4.847 0.19 0.00 C ATOM 1028 CE LYS A 66 -15.811 13.060 5.298 0.47 0.00 C ATOM 1029 NZ LYS A 66 -16.230 12.688 6.678 0.16 0.00 N ATOM 0 H LYS A 66 -14.950 9.647 2.212 0.07 0.00 H new ATOM 0 HA LYS A 66 -12.970 11.510 2.906 0.33 0.00 H new ATOM 0 HB2 LYS A 66 -13.895 8.949 4.263 0.05 0.00 H new ATOM 0 HB3 LYS A 66 -12.855 10.140 5.019 0.05 0.00 H new ATOM 0 HG2 LYS A 66 -15.696 10.624 4.046 0.53 0.00 H new ATOM 0 HG3 LYS A 66 -15.204 10.414 5.715 0.53 0.00 H new ATOM 0 HD2 LYS A 66 -13.770 12.446 5.550 0.19 0.00 H new ATOM 0 HD3 LYS A 66 -14.253 12.654 3.879 0.19 0.00 H new ATOM 0 HE2 LYS A 66 -15.596 14.128 5.259 0.47 0.00 H new ATOM 0 HE3 LYS A 66 -16.633 12.875 4.607 0.47 0.00 H new ATOM 0 HZ1 LYS A 66 -17.237 12.427 6.677 0.16 0.00 H new ATOM 0 HZ2 LYS A 66 -15.663 11.881 7.007 0.16 0.00 H new ATOM 0 HZ3 LYS A 66 -16.083 13.497 7.315 0.16 0.00 H new ATOM 1043 N PRO A 67 -10.670 10.376 2.987 0.65 0.00 N ATOM 1044 CA PRO A 67 -9.337 9.810 2.755 1.00 0.00 C ATOM 1045 C PRO A 67 -9.061 8.590 3.636 0.42 0.00 C ATOM 1046 O PRO A 67 -8.961 8.712 4.856 0.66 0.00 O ATOM 1047 CB PRO A 67 -8.392 10.958 3.123 1.00 0.00 C ATOM 1048 CG PRO A 67 -9.163 11.793 4.085 0.05 0.00 C ATOM 1049 CD PRO A 67 -10.602 11.689 3.662 1.00 0.00 C ATOM 0 HA PRO A 67 -9.220 9.455 1.731 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.472 10.584 3.573 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.106 11.532 2.242 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.030 11.436 5.106 0.05 0.00 H new ATOM 0 HG3 PRO A 67 -8.823 12.829 4.063 0.05 0.00 H new ATOM 0 HD2 PRO A 67 -11.276 11.736 4.517 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.882 12.500 2.990 1.00 0.00 H new ATOM 1057 N PRO A 68 -8.937 7.392 3.029 1.00 0.00 N ATOM 1058 CA PRO A 68 -8.673 6.158 3.776 0.25 0.00 C ATOM 1059 C PRO A 68 -7.241 6.091 4.296 0.50 0.00 C ATOM 1060 O PRO A 68 -6.363 6.808 3.816 0.28 0.00 O ATOM 1061 CB PRO A 68 -8.921 5.059 2.742 0.12 0.00 C ATOM 1062 CG PRO A 68 -8.629 5.703 1.432 0.63 0.00 C ATOM 1063 CD PRO A 68 -9.038 7.144 1.575 1.00 0.00 C ATOM 0 HA PRO A 68 -9.300 6.075 4.664 0.25 0.00 H new ATOM 0 HB2 PRO A 68 -8.273 4.199 2.914 0.12 0.00 H new ATOM 0 HB3 PRO A 68 -9.949 4.698 2.786 0.12 0.00 H new ATOM 0 HG2 PRO A 68 -7.571 5.621 1.185 0.63 0.00 H new ATOM 0 HG3 PRO A 68 -9.183 5.219 0.628 0.63 0.00 H new ATOM 0 HD2 PRO A 68 -8.382 7.805 1.009 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.051 7.311 1.209 1.00 0.00 H new ATOM 1071 N THR A 69 -7.014 5.226 5.278 0.20 0.00 N ATOM 1072 CA THR A 69 -5.689 5.064 5.865 0.57 0.00 C ATOM 1073 C THR A 69 -5.148 3.659 5.626 1.00 0.00 C ATOM 1074 O THR A 69 -5.729 2.674 6.082 0.30 0.00 O ATOM 1075 CB THR A 69 -5.711 5.344 7.382 0.93 0.00 C ATOM 1076 OG1 THR A 69 -6.140 6.689 7.624 0.90 0.00 O ATOM 1077 CG2 THR A 69 -4.336 5.128 7.996 0.24 0.00 C ATOM 0 H THR A 69 -7.731 4.626 5.685 0.20 0.00 H new ATOM 0 HA THR A 69 -5.036 5.788 5.377 0.57 0.00 H new ATOM 0 HB THR A 69 -6.410 4.648 7.846 0.93 0.00 H new ATOM 0 HG1 THR A 69 -6.153 6.859 8.589 0.90 0.00 H new ATOM 0 HG21 THR A 69 -4.379 5.332 9.066 0.24 0.00 H new ATOM 0 HG22 THR A 69 -4.024 4.096 7.836 0.24 0.00 H new ATOM 0 HG23 THR A 69 -3.618 5.801 7.527 0.24 0.00 H new ATOM 1085 N VAL A 70 -4.033 3.574 4.908 0.18 0.00 N ATOM 1086 CA VAL A 70 -3.411 2.290 4.608 0.13 0.00 C ATOM 1087 C VAL A 70 -2.004 2.215 5.193 1.00 0.00 C ATOM 1088 O VAL A 70 -1.294 3.219 5.254 0.36 0.00 O ATOM 1089 CB VAL A 70 -3.345 2.042 3.087 0.22 0.00 C ATOM 1090 CG1 VAL A 70 -2.554 3.139 2.394 1.00 0.00 C ATOM 1091 CG2 VAL A 70 -2.746 0.673 2.794 0.06 0.00 C ATOM 0 H VAL A 70 -3.541 4.380 4.523 0.18 0.00 H new ATOM 0 HA VAL A 70 -4.031 1.518 5.065 0.13 0.00 H new ATOM 0 HB VAL A 70 -4.361 2.061 2.693 0.22 0.00 H new ATOM 0 HG11 VAL A 70 -2.521 2.942 1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.034 4.101 2.572 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.539 3.161 2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.708 0.516 1.716 0.06 0.00 H new ATOM 0 HG22 VAL A 70 -1.738 0.622 3.204 0.06 0.00 H new ATOM 0 HG23 VAL A 70 -3.364 -0.100 3.251 0.06 0.00 H new ATOM 1101 N ARG A 71 -1.611 1.021 5.624 0.09 0.00 N ATOM 1102 CA ARG A 71 -0.288 0.817 6.205 0.11 0.00 C ATOM 1103 C ARG A 71 0.111 -0.654 6.156 1.00 0.00 C ATOM 1104 O ARG A 71 -0.733 -1.541 6.272 0.10 0.00 O ATOM 1105 CB ARG A 71 -0.265 1.313 7.651 1.00 0.00 C ATOM 1106 CG ARG A 71 -1.268 0.610 8.553 0.06 0.00 C ATOM 1107 CD ARG A 71 -1.144 1.076 9.995 0.09 0.00 C ATOM 1108 NE ARG A 71 0.176 0.789 10.551 1.00 0.00 N ATOM 1109 CZ ARG A 71 0.492 0.963 11.830 0.09 0.00 C ATOM 1110 NH1 ARG A 71 -0.416 1.412 12.687 1.00 0.00 N ATOM 1111 NH2 ARG A 71 1.718 0.687 12.254 0.18 0.00 N ATOM 0 H ARG A 71 -2.188 0.181 5.582 0.09 0.00 H new ATOM 0 HA ARG A 71 0.431 1.388 5.617 0.11 0.00 H new ATOM 0 HB2 ARG A 71 0.737 1.174 8.058 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.468 2.384 7.662 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.279 0.802 8.193 0.06 0.00 H new ATOM 0 HG3 ARG A 71 -1.111 -0.467 8.503 0.06 0.00 H new ATOM 0 HD2 ARG A 71 -1.334 2.148 10.047 0.09 0.00 H new ATOM 0 HD3 ARG A 71 -1.907 0.587 10.601 0.09 0.00 H new ATOM 0 HE ARG A 71 0.896 0.435 9.922 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.360 1.625 12.365 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.170 1.544 13.668 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.419 0.341 11.598 0.18 0.00 H new ATOM 0 HH22 ARG A 71 1.960 0.821 13.236 0.18 0.00 H new ATOM 1125 N PHE A 72 1.407 -0.903 5.985 1.00 0.00 N ATOM 1126 CA PHE A 72 1.922 -2.268 5.922 0.05 0.00 C ATOM 1127 C PHE A 72 1.824 -2.952 7.281 0.40 0.00 C ATOM 1128 O PHE A 72 1.936 -2.305 8.322 0.08 0.00 O ATOM 1129 CB PHE A 72 3.377 -2.265 5.450 0.35 0.00 C ATOM 1130 CG PHE A 72 3.536 -2.022 3.976 0.10 0.00 C ATOM 1131 CD1 PHE A 72 3.382 -0.752 3.446 0.14 0.00 C ATOM 1132 CD2 PHE A 72 3.841 -3.069 3.122 0.09 0.00 C ATOM 1133 CE1 PHE A 72 3.531 -0.531 2.090 0.13 0.00 C ATOM 1134 CE2 PHE A 72 3.991 -2.854 1.767 0.15 0.00 C ATOM 1135 CZ PHE A 72 3.836 -1.584 1.249 0.09 0.00 C ATOM 0 H PHE A 72 2.119 -0.179 5.888 1.00 0.00 H new ATOM 0 HA PHE A 72 1.313 -2.824 5.209 0.05 0.00 H new ATOM 0 HB2 PHE A 72 3.925 -1.497 5.996 0.35 0.00 H new ATOM 0 HB3 PHE A 72 3.833 -3.222 5.702 0.35 0.00 H new ATOM 0 HD1 PHE A 72 3.143 0.074 4.099 0.14 0.00 H new ATOM 0 HD2 PHE A 72 3.963 -4.065 3.521 0.09 0.00 H new ATOM 0 HE1 PHE A 72 3.409 0.464 1.688 0.13 0.00 H new ATOM 0 HE2 PHE A 72 4.230 -3.679 1.112 0.15 0.00 H new ATOM 0 HZ PHE A 72 3.953 -1.414 0.189 0.09 0.00 H new ATOM 1145 N LEU A 73 1.612 -4.264 7.260 1.00 0.00 N ATOM 1146 CA LEU A 73 1.505 -5.042 8.489 1.00 0.00 C ATOM 1147 C LEU A 73 2.870 -5.578 8.908 1.00 0.00 C ATOM 1148 O LEU A 73 3.129 -5.787 10.094 1.00 0.00 O ATOM 1149 CB LEU A 73 0.524 -6.202 8.301 0.55 0.00 C ATOM 1150 CG LEU A 73 -0.948 -5.799 8.194 0.05 0.00 C ATOM 1151 CD1 LEU A 73 -1.802 -6.998 7.814 1.00 0.00 C ATOM 1152 CD2 LEU A 73 -1.432 -5.194 9.504 0.52 0.00 C ATOM 0 H LEU A 73 1.511 -4.811 6.405 1.00 0.00 H new ATOM 0 HA LEU A 73 1.132 -4.386 9.276 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.801 -6.749 7.400 0.55 0.00 H new ATOM 0 HB3 LEU A 73 0.636 -6.891 9.138 0.55 0.00 H new ATOM 0 HG LEU A 73 -1.043 -5.046 7.411 0.05 0.00 H new ATOM 0 HD11 LEU A 73 -2.846 -6.693 7.742 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.472 -7.390 6.852 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.702 -7.772 8.575 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.481 -4.913 9.409 0.52 0.00 H new ATOM 0 HD22 LEU A 73 -1.323 -5.925 10.305 0.52 0.00 H new ATOM 0 HD23 LEU A 73 -0.839 -4.309 9.737 0.52 0.00 H new ATOM 1164 N SER A 74 3.740 -5.795 7.925 1.00 0.00 N ATOM 1165 CA SER A 74 5.080 -6.307 8.188 0.36 0.00 C ATOM 1166 C SER A 74 6.099 -5.173 8.209 0.15 0.00 C ATOM 1167 O SER A 74 5.864 -4.106 7.642 1.00 0.00 O ATOM 1168 CB SER A 74 5.469 -7.341 7.130 0.59 0.00 C ATOM 1169 OG SER A 74 6.783 -7.826 7.348 0.07 0.00 O ATOM 0 H SER A 74 3.540 -5.624 6.940 1.00 0.00 H new ATOM 0 HA SER A 74 5.076 -6.785 9.168 0.36 0.00 H new ATOM 0 HB2 SER A 74 4.763 -8.171 7.152 0.59 0.00 H new ATOM 0 HB3 SER A 74 5.403 -6.893 6.138 0.59 0.00 H new ATOM 0 HG SER A 74 6.777 -8.806 7.334 0.07 0.00 H new ATOM 1175 N LYS A 75 7.231 -5.411 8.863 0.34 0.00 N ATOM 1176 CA LYS A 75 8.285 -4.406 8.958 0.11 0.00 C ATOM 1177 C LYS A 75 8.809 -4.034 7.576 0.20 0.00 C ATOM 1178 O LYS A 75 8.996 -4.897 6.718 1.00 0.00 O ATOM 1179 CB LYS A 75 9.429 -4.917 9.838 0.96 0.00 C ATOM 1180 CG LYS A 75 10.583 -3.932 9.986 0.59 0.00 C ATOM 1181 CD LYS A 75 10.112 -2.566 10.473 0.09 0.00 C ATOM 1182 CE LYS A 75 9.443 -2.650 11.838 1.00 0.00 C ATOM 1183 NZ LYS A 75 10.347 -3.233 12.868 1.00 0.00 N ATOM 0 H LYS A 75 7.443 -6.290 9.335 0.34 0.00 H new ATOM 0 HA LYS A 75 7.861 -3.511 9.414 0.11 0.00 H new ATOM 0 HB2 LYS A 75 9.036 -5.152 10.827 0.96 0.00 H new ATOM 0 HB3 LYS A 75 9.810 -5.847 9.417 0.96 0.00 H new ATOM 0 HG2 LYS A 75 11.314 -4.334 10.687 0.59 0.00 H new ATOM 0 HG3 LYS A 75 11.089 -3.820 9.027 0.59 0.00 H new ATOM 0 HD2 LYS A 75 10.963 -1.887 10.527 0.09 0.00 H new ATOM 0 HD3 LYS A 75 9.412 -2.145 9.751 0.09 0.00 H new ATOM 0 HE2 LYS A 75 9.132 -1.653 12.151 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.541 -3.257 11.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.921 -3.118 13.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.488 -4.245 12.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.265 -2.744 12.841 1.00 0.00 H new ATOM 1197 N MET A 76 9.041 -2.742 7.367 0.15 0.00 N ATOM 1198 CA MET A 76 9.537 -2.250 6.088 0.09 0.00 C ATOM 1199 C MET A 76 10.325 -0.957 6.267 1.00 0.00 C ATOM 1200 O MET A 76 10.109 -0.215 7.224 0.34 0.00 O ATOM 1201 CB MET A 76 8.374 -2.019 5.119 1.00 0.00 C ATOM 1202 CG MET A 76 7.474 -0.854 5.508 0.13 0.00 C ATOM 1203 SD MET A 76 6.626 -1.117 7.078 0.06 0.00 S ATOM 1204 CE MET A 76 5.728 0.425 7.239 1.00 0.00 C ATOM 0 H MET A 76 8.893 -2.016 8.068 0.15 0.00 H new ATOM 0 HA MET A 76 10.204 -3.006 5.674 0.09 0.00 H new ATOM 0 HB2 MET A 76 8.774 -1.840 4.121 1.00 0.00 H new ATOM 0 HB3 MET A 76 7.774 -2.927 5.063 1.00 0.00 H new ATOM 0 HG2 MET A 76 8.072 0.055 5.571 0.13 0.00 H new ATOM 0 HG3 MET A 76 6.734 -0.695 4.723 0.13 0.00 H new ATOM 0 HE1 MET A 76 5.153 0.416 8.165 1.00 0.00 H new ATOM 0 HE2 MET A 76 6.433 1.256 7.258 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.052 0.542 6.392 1.00 0.00 H new ATOM 1214 N PHE A 77 11.240 -0.698 5.339 0.05 0.00 N ATOM 1215 CA PHE A 77 12.058 0.509 5.383 0.44 0.00 C ATOM 1216 C PHE A 77 12.050 1.203 4.026 0.23 0.00 C ATOM 1217 O PHE A 77 12.536 0.658 3.034 0.22 0.00 O ATOM 1218 CB PHE A 77 13.493 0.164 5.796 0.14 0.00 C ATOM 1219 CG PHE A 77 14.363 1.367 6.032 0.30 0.00 C ATOM 1220 CD1 PHE A 77 14.163 2.178 7.139 0.10 0.00 C ATOM 1221 CD2 PHE A 77 15.382 1.684 5.149 0.06 0.00 C ATOM 1222 CE1 PHE A 77 14.964 3.284 7.358 0.07 0.00 C ATOM 1223 CE2 PHE A 77 16.187 2.788 5.363 1.00 0.00 C ATOM 1224 CZ PHE A 77 15.979 3.588 6.469 0.23 0.00 C ATOM 0 H PHE A 77 11.434 -1.309 4.546 0.05 0.00 H new ATOM 0 HA PHE A 77 11.637 1.189 6.124 0.44 0.00 H new ATOM 0 HB2 PHE A 77 13.465 -0.436 6.705 0.14 0.00 H new ATOM 0 HB3 PHE A 77 13.946 -0.454 5.020 0.14 0.00 H new ATOM 0 HD1 PHE A 77 13.373 1.943 7.837 0.10 0.00 H new ATOM 0 HD2 PHE A 77 15.550 1.061 4.283 0.06 0.00 H new ATOM 0 HE1 PHE A 77 14.797 3.910 8.222 0.07 0.00 H new ATOM 0 HE2 PHE A 77 16.977 3.024 4.666 1.00 0.00 H new ATOM 0 HZ PHE A 77 16.608 4.449 6.640 0.23 0.00 H new ATOM 1234 N HIS A 78 11.494 2.411 3.986 0.39 0.00 N ATOM 1235 CA HIS A 78 11.410 3.174 2.747 0.07 0.00 C ATOM 1236 C HIS A 78 11.869 4.616 2.960 0.49 0.00 C ATOM 1237 O HIS A 78 11.837 5.121 4.083 0.15 0.00 O ATOM 1238 CB HIS A 78 9.974 3.156 2.216 0.24 0.00 C ATOM 1239 CG HIS A 78 9.472 1.781 1.893 0.57 0.00 C ATOM 1240 ND1 HIS A 78 8.679 1.035 2.736 1.00 0.00 N ATOM 1241 CD2 HIS A 78 9.660 1.020 0.786 0.12 0.00 C ATOM 1242 CE1 HIS A 78 8.417 -0.130 2.129 0.97 0.00 C ATOM 1243 NE2 HIS A 78 8.989 -0.189 0.943 0.06 0.00 N ATOM 0 H HIS A 78 11.095 2.881 4.798 0.39 0.00 H new ATOM 0 HA HIS A 78 12.070 2.709 2.015 0.07 0.00 H new ATOM 0 HB2 HIS A 78 9.316 3.610 2.957 0.24 0.00 H new ATOM 0 HB3 HIS A 78 9.919 3.774 1.320 0.24 0.00 H new ATOM 0 HD2 HIS A 78 10.239 1.307 -0.080 0.12 0.00 H new ATOM 0 HE1 HIS A 78 7.815 -0.919 2.556 0.97 0.00 H new ATOM 0 HE2 HIS A 78 8.948 -0.961 0.278 0.06 0.00 H new ATOM 1251 N PRO A 79 12.307 5.300 1.884 0.86 0.00 N ATOM 1252 CA PRO A 79 12.769 6.690 1.969 1.00 0.00 C ATOM 1253 C PRO A 79 11.692 7.626 2.504 1.00 0.00 C ATOM 1254 O PRO A 79 11.987 8.734 2.952 0.44 0.00 O ATOM 1255 CB PRO A 79 13.118 7.049 0.521 0.32 0.00 C ATOM 1256 CG PRO A 79 13.332 5.741 -0.158 0.20 0.00 C ATOM 1257 CD PRO A 79 12.392 4.779 0.508 0.31 0.00 C ATOM 0 HA PRO A 79 13.607 6.794 2.658 1.00 0.00 H new ATOM 0 HB2 PRO A 79 12.313 7.612 0.049 0.32 0.00 H new ATOM 0 HB3 PRO A 79 14.012 7.670 0.473 0.32 0.00 H new ATOM 0 HG2 PRO A 79 13.125 5.815 -1.225 0.20 0.00 H new ATOM 0 HG3 PRO A 79 14.366 5.412 -0.056 0.20 0.00 H new ATOM 0 HD2 PRO A 79 11.417 4.764 0.021 0.31 0.00 H new ATOM 0 HD3 PRO A 79 12.775 3.759 0.485 0.31 0.00 H new ATOM 1265 N ASN A 80 10.440 7.177 2.451 1.00 0.00 N ATOM 1266 CA ASN A 80 9.323 7.976 2.940 0.17 0.00 C ATOM 1267 C ASN A 80 8.332 7.109 3.711 1.00 0.00 C ATOM 1268 O ASN A 80 7.736 6.186 3.156 1.00 0.00 O ATOM 1269 CB ASN A 80 8.616 8.668 1.772 0.06 0.00 C ATOM 1270 CG ASN A 80 8.137 7.689 0.718 1.00 0.00 C ATOM 1271 OD1 ASN A 80 6.998 7.221 0.759 0.52 0.00 O ATOM 1272 ND2 ASN A 80 9.007 7.369 -0.232 0.80 0.00 N ATOM 0 H ASN A 80 10.176 6.266 2.075 1.00 0.00 H new ATOM 0 HA ASN A 80 9.717 8.734 3.617 0.17 0.00 H new ATOM 0 HB2 ASN A 80 7.765 9.233 2.151 0.06 0.00 H new ATOM 0 HB3 ASN A 80 9.297 9.385 1.314 0.06 0.00 H new ATOM 0 HD21 ASN A 80 8.742 6.712 -0.966 0.80 0.00 H new ATOM 0 HD22 ASN A 80 9.940 7.780 -0.228 0.80 0.00 H new ATOM 1279 N VAL A 81 8.156 7.425 4.992 1.00 0.00 N ATOM 1280 CA VAL A 81 7.238 6.685 5.857 0.05 0.00 C ATOM 1281 C VAL A 81 6.732 7.574 6.989 0.11 0.00 C ATOM 1282 O VAL A 81 7.522 8.170 7.721 0.13 0.00 O ATOM 1283 CB VAL A 81 7.906 5.430 6.468 0.90 0.00 C ATOM 1284 CG1 VAL A 81 6.993 4.780 7.498 0.24 0.00 C ATOM 1285 CG2 VAL A 81 8.278 4.428 5.386 1.00 0.00 C ATOM 0 H VAL A 81 8.640 8.193 5.457 1.00 0.00 H new ATOM 0 HA VAL A 81 6.404 6.367 5.232 0.05 0.00 H new ATOM 0 HB VAL A 81 8.821 5.749 6.967 0.90 0.00 H new ATOM 0 HG11 VAL A 81 7.483 3.900 7.914 0.24 0.00 H new ATOM 0 HG12 VAL A 81 6.782 5.490 8.297 0.24 0.00 H new ATOM 0 HG13 VAL A 81 6.059 4.484 7.021 0.24 0.00 H new ATOM 0 HG21 VAL A 81 8.746 3.556 5.843 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.380 4.120 4.851 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.976 4.889 4.687 1.00 0.00 H new ATOM 1295 N TYR A 82 5.414 7.659 7.129 0.20 0.00 N ATOM 1296 CA TYR A 82 4.811 8.473 8.178 0.10 0.00 C ATOM 1297 C TYR A 82 4.995 7.820 9.542 0.10 0.00 C ATOM 1298 O TYR A 82 5.391 6.658 9.636 0.34 0.00 O ATOM 1299 CB TYR A 82 3.321 8.686 7.901 1.00 0.00 C ATOM 1300 CG TYR A 82 3.043 9.545 6.689 1.00 0.00 C ATOM 1301 CD1 TYR A 82 3.174 10.928 6.749 0.33 0.00 C ATOM 1302 CD2 TYR A 82 2.650 8.975 5.486 0.08 0.00 C ATOM 1303 CE1 TYR A 82 2.920 11.717 5.644 0.46 0.00 C ATOM 1304 CE2 TYR A 82 2.395 9.757 4.376 0.25 0.00 C ATOM 1305 CZ TYR A 82 2.530 11.128 4.460 0.15 0.00 C ATOM 1306 OH TYR A 82 2.275 11.909 3.356 0.30 0.00 O ATOM 0 H TYR A 82 4.744 7.176 6.531 0.20 0.00 H new ATOM 0 HA TYR A 82 5.313 9.441 8.184 0.10 0.00 H new ATOM 0 HB2 TYR A 82 2.844 7.716 7.764 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.861 9.147 8.775 1.00 0.00 H new ATOM 0 HD1 TYR A 82 3.479 11.393 7.675 0.33 0.00 H new ATOM 0 HD2 TYR A 82 2.542 7.903 5.417 0.08 0.00 H new ATOM 0 HE1 TYR A 82 3.026 12.790 5.707 0.46 0.00 H new ATOM 0 HE2 TYR A 82 2.091 9.298 3.447 0.25 0.00 H new ATOM 0 HH TYR A 82 2.843 11.619 2.612 0.30 0.00 H new ATOM 1316 N ALA A 83 4.707 8.574 10.598 0.12 0.00 N ATOM 1317 CA ALA A 83 4.842 8.066 11.959 0.24 0.00 C ATOM 1318 C ALA A 83 3.922 6.872 12.190 0.18 0.00 C ATOM 1319 O ALA A 83 4.261 5.949 12.930 1.00 0.00 O ATOM 1320 CB ALA A 83 4.542 9.166 12.964 0.12 0.00 C ATOM 0 H ALA A 83 4.379 9.538 10.538 0.12 0.00 H new ATOM 0 HA ALA A 83 5.871 7.733 12.097 0.24 0.00 H new ATOM 0 HB1 ALA A 83 4.646 8.773 13.975 0.12 0.00 H new ATOM 0 HB2 ALA A 83 5.241 9.990 12.821 0.12 0.00 H new ATOM 0 HB3 ALA A 83 3.523 9.525 12.818 0.12 0.00 H new ATOM 1326 N ASP A 84 2.758 6.897 11.548 1.00 0.00 N ATOM 1327 CA ASP A 84 1.789 5.817 11.682 1.00 0.00 C ATOM 1328 C ASP A 84 2.195 4.621 10.826 0.23 0.00 C ATOM 1329 O ASP A 84 1.696 3.512 11.014 0.05 0.00 O ATOM 1330 CB ASP A 84 0.395 6.301 11.278 0.42 0.00 C ATOM 1331 CG ASP A 84 -0.661 5.223 11.431 1.00 0.00 C ATOM 1332 OD1 ASP A 84 -1.251 5.122 12.526 0.32 0.00 O ATOM 1333 OD2 ASP A 84 -0.899 4.483 10.453 0.79 0.00 O ATOM 0 H ASP A 84 2.464 7.653 10.930 1.00 0.00 H new ATOM 0 HA ASP A 84 1.766 5.505 12.726 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.122 7.162 11.888 0.42 0.00 H new ATOM 0 HB3 ASP A 84 0.417 6.639 10.242 0.42 0.00 H new ATOM 1338 N GLY A 85 3.106 4.857 9.888 0.05 0.00 N ATOM 1339 CA GLY A 85 3.565 3.794 9.013 0.59 0.00 C ATOM 1340 C GLY A 85 2.794 3.749 7.711 0.20 0.00 C ATOM 1341 O GLY A 85 2.946 2.816 6.922 0.31 0.00 O ATOM 0 H GLY A 85 3.535 5.767 9.718 0.05 0.00 H new ATOM 0 HA2 GLY A 85 4.625 3.934 8.800 0.59 0.00 H new ATOM 0 HA3 GLY A 85 3.466 2.837 9.525 0.59 0.00 H new ATOM 1345 N SER A 86 1.961 4.761 7.489 0.52 0.00 N ATOM 1346 CA SER A 86 1.161 4.840 6.273 0.28 0.00 C ATOM 1347 C SER A 86 2.048 5.092 5.059 0.06 0.00 C ATOM 1348 O SER A 86 3.230 5.408 5.198 0.06 0.00 O ATOM 1349 CB SER A 86 0.112 5.945 6.397 0.24 0.00 C ATOM 1350 OG SER A 86 -0.773 5.693 7.474 0.11 0.00 O ATOM 0 H SER A 86 1.823 5.538 8.136 0.52 0.00 H new ATOM 0 HA SER A 86 0.652 3.886 6.137 0.28 0.00 H new ATOM 0 HB2 SER A 86 0.607 6.905 6.546 0.24 0.00 H new ATOM 0 HB3 SER A 86 -0.453 6.019 5.468 0.24 0.00 H new ATOM 0 HG SER A 86 -1.432 6.416 7.531 0.11 0.00 H new ATOM 1356 N ILE A 87 1.470 4.952 3.871 0.52 0.00 N ATOM 1357 CA ILE A 87 2.212 5.164 2.634 0.29 0.00 C ATOM 1358 C ILE A 87 1.970 6.562 2.080 0.11 0.00 C ATOM 1359 O ILE A 87 0.841 7.054 2.075 0.35 0.00 O ATOM 1360 CB ILE A 87 1.830 4.122 1.561 0.09 0.00 C ATOM 1361 CG1 ILE A 87 2.116 2.705 2.061 0.44 0.00 C ATOM 1362 CG2 ILE A 87 2.581 4.388 0.265 0.07 0.00 C ATOM 1363 CD1 ILE A 87 1.008 2.127 2.914 0.66 0.00 C ATOM 0 H ILE A 87 0.492 4.693 3.739 0.52 0.00 H new ATOM 0 HA ILE A 87 3.269 5.052 2.877 0.29 0.00 H new ATOM 0 HB ILE A 87 0.761 4.210 1.365 0.09 0.00 H new ATOM 0 HG12 ILE A 87 2.280 2.053 1.203 0.44 0.00 H new ATOM 0 HG13 ILE A 87 3.041 2.712 2.638 0.44 0.00 H new ATOM 0 HG21 ILE A 87 2.298 3.643 -0.479 0.07 0.00 H new ATOM 0 HG22 ILE A 87 2.330 5.382 -0.104 0.07 0.00 H new ATOM 0 HG23 ILE A 87 3.654 4.329 0.448 0.07 0.00 H new ATOM 0 HD11 ILE A 87 1.281 1.121 3.232 0.66 0.00 H new ATOM 0 HD12 ILE A 87 0.858 2.757 3.791 0.66 0.00 H new ATOM 0 HD13 ILE A 87 0.086 2.087 2.334 0.66 0.00 H new ATOM 1375 N CYS A 88 3.039 7.198 1.612 0.43 0.00 N ATOM 1376 CA CYS A 88 2.947 8.541 1.049 0.55 0.00 C ATOM 1377 C CYS A 88 2.595 8.481 -0.434 0.30 0.00 C ATOM 1378 O CYS A 88 3.408 8.064 -1.258 1.00 0.00 O ATOM 1379 CB CYS A 88 4.268 9.288 1.242 0.53 0.00 C ATOM 1380 SG CYS A 88 4.279 10.959 0.554 0.09 0.00 S ATOM 0 H CYS A 88 3.980 6.805 1.611 0.43 0.00 H new ATOM 0 HA CYS A 88 2.156 9.077 1.573 0.55 0.00 H new ATOM 0 HB2 CYS A 88 4.489 9.344 2.308 0.53 0.00 H new ATOM 0 HB3 CYS A 88 5.070 8.711 0.780 0.53 0.00 H new ATOM 0 HG CYS A 88 5.437 11.509 0.769 0.09 0.00 H new ATOM 1386 N LEU A 89 1.376 8.897 -0.767 0.18 0.00 N ATOM 1387 CA LEU A 89 0.917 8.883 -2.153 0.10 0.00 C ATOM 1388 C LEU A 89 0.077 10.123 -2.461 1.00 0.00 C ATOM 1389 O LEU A 89 -0.643 10.626 -1.598 0.24 0.00 O ATOM 1390 CB LEU A 89 0.099 7.616 -2.421 0.11 0.00 C ATOM 1391 CG LEU A 89 0.455 6.862 -3.709 1.00 0.00 C ATOM 1392 CD1 LEU A 89 0.254 7.752 -4.927 1.00 0.00 C ATOM 1393 CD2 LEU A 89 1.886 6.349 -3.649 1.00 0.00 C ATOM 0 H LEU A 89 0.690 9.247 -0.098 0.18 0.00 H new ATOM 0 HA LEU A 89 1.791 8.891 -2.804 0.10 0.00 H new ATOM 0 HB2 LEU A 89 0.224 6.938 -1.577 0.11 0.00 H new ATOM 0 HB3 LEU A 89 -0.956 7.887 -2.459 0.11 0.00 H new ATOM 0 HG LEU A 89 -0.213 6.006 -3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.512 7.198 -5.829 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.788 8.066 -4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.894 8.630 -4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.121 5.817 -4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.569 7.190 -3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.995 5.672 -2.802 1.00 0.00 H new ATOM 1405 N ASP A 90 0.175 10.609 -3.696 0.39 0.00 N ATOM 1406 CA ASP A 90 -0.571 11.792 -4.118 0.94 0.00 C ATOM 1407 C ASP A 90 -2.063 11.492 -4.236 0.17 0.00 C ATOM 1408 O ASP A 90 -2.889 12.402 -4.209 1.00 0.00 O ATOM 1409 CB ASP A 90 -0.037 12.307 -5.457 0.13 0.00 C ATOM 1410 CG ASP A 90 1.402 12.775 -5.365 0.37 0.00 C ATOM 1411 OD1 ASP A 90 2.311 11.927 -5.484 0.06 0.00 O ATOM 1412 OD2 ASP A 90 1.619 13.991 -5.176 0.20 0.00 O ATOM 0 H ASP A 90 0.764 10.202 -4.422 0.39 0.00 H new ATOM 0 HA ASP A 90 -0.436 12.561 -3.357 0.94 0.00 H new ATOM 0 HB2 ASP A 90 -0.112 11.516 -6.203 0.13 0.00 H new ATOM 0 HB3 ASP A 90 -0.662 13.130 -5.802 0.13 0.00 H new ATOM 1417 N ILE A 91 -2.402 10.212 -4.369 0.19 0.00 N ATOM 1418 CA ILE A 91 -3.798 9.805 -4.491 0.06 0.00 C ATOM 1419 C ILE A 91 -4.560 10.081 -3.198 0.10 0.00 C ATOM 1420 O ILE A 91 -5.786 10.199 -3.200 0.19 0.00 O ATOM 1421 CB ILE A 91 -3.919 8.308 -4.846 1.00 0.00 C ATOM 1422 CG1 ILE A 91 -5.372 7.952 -5.175 0.14 0.00 C ATOM 1423 CG2 ILE A 91 -3.398 7.448 -3.702 1.00 0.00 C ATOM 1424 CD1 ILE A 91 -5.562 6.523 -5.641 0.31 0.00 C ATOM 0 H ILE A 91 -1.733 9.443 -4.395 0.19 0.00 H new ATOM 0 HA ILE A 91 -4.235 10.393 -5.298 0.06 0.00 H new ATOM 0 HB ILE A 91 -3.311 8.109 -5.728 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.987 8.120 -4.291 0.14 0.00 H new ATOM 0 HG13 ILE A 91 -5.735 8.628 -5.949 0.14 0.00 H new ATOM 0 HG21 ILE A 91 -3.490 6.395 -3.967 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.350 7.685 -3.516 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.980 7.648 -2.802 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -6.616 6.347 -5.854 0.31 0.00 H new ATOM 0 HD12 ILE A 91 -4.976 6.354 -6.544 0.31 0.00 H new ATOM 0 HD13 ILE A 91 -5.231 5.839 -4.860 0.31 0.00 H new ATOM 1436 N LEU A 92 -3.825 10.189 -2.096 1.00 0.00 N ATOM 1437 CA LEU A 92 -4.427 10.451 -0.795 0.10 0.00 C ATOM 1438 C LEU A 92 -4.829 11.918 -0.665 0.96 0.00 C ATOM 1439 O LEU A 92 -5.516 12.302 0.282 0.59 0.00 O ATOM 1440 CB LEU A 92 -3.454 10.075 0.326 0.33 0.00 C ATOM 1441 CG LEU A 92 -2.990 8.617 0.325 0.05 0.00 C ATOM 1442 CD1 LEU A 92 -1.958 8.384 1.418 1.00 0.00 C ATOM 1443 CD2 LEU A 92 -4.173 7.676 0.501 1.00 0.00 C ATOM 0 H LEU A 92 -2.809 10.099 -2.079 1.00 0.00 H new ATOM 0 HA LEU A 92 -5.325 9.839 -0.709 0.10 0.00 H new ATOM 0 HB2 LEU A 92 -2.577 10.719 0.255 0.33 0.00 H new ATOM 0 HB3 LEU A 92 -3.929 10.288 1.284 0.33 0.00 H new ATOM 0 HG LEU A 92 -2.526 8.408 -0.639 0.05 0.00 H new ATOM 0 HD11 LEU A 92 -1.640 7.342 1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.096 9.029 1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.398 8.614 2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.821 6.644 0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.668 7.887 1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.878 7.821 -0.317 1.00 0.00 H new ATOM 1455 N GLN A 93 -4.396 12.734 -1.623 0.06 0.00 N ATOM 1456 CA GLN A 93 -4.713 14.158 -1.614 0.10 0.00 C ATOM 1457 C GLN A 93 -6.100 14.408 -2.196 1.00 0.00 C ATOM 1458 O GLN A 93 -6.907 13.487 -2.319 0.52 0.00 O ATOM 1459 CB GLN A 93 -3.663 14.940 -2.408 0.12 0.00 C ATOM 1460 CG GLN A 93 -2.266 14.864 -1.814 0.09 0.00 C ATOM 1461 CD GLN A 93 -1.266 15.723 -2.563 0.21 0.00 C ATOM 1462 OE1 GLN A 93 -0.629 15.142 -3.572 0.19 0.00 O flip ATOM 1463 NE2 GLN A 93 -1.070 16.895 -2.240 0.65 0.00 N flip ATOM 0 H GLN A 93 -3.826 12.433 -2.414 0.06 0.00 H new ATOM 0 HA GLN A 93 -4.705 14.502 -0.580 0.10 0.00 H new ATOM 0 HB2 GLN A 93 -3.635 14.560 -3.429 0.12 0.00 H new ATOM 0 HB3 GLN A 93 -3.968 15.985 -2.465 0.12 0.00 H new ATOM 0 HG2 GLN A 93 -2.301 15.179 -0.771 0.09 0.00 H new ATOM 0 HG3 GLN A 93 -1.928 13.828 -1.822 0.09 0.00 H new ATOM 0 HE21 GLN A 93 -1.583 17.301 -1.457 0.65 0.00 H new ATOM 0 HE22 GLN A 93 -0.395 17.460 -2.755 0.65 0.00 H new ATOM 1472 N ASN A 94 -6.371 15.660 -2.554 1.00 0.00 N ATOM 1473 CA ASN A 94 -7.662 16.033 -3.122 0.10 0.00 C ATOM 1474 C ASN A 94 -7.828 15.452 -4.523 0.11 0.00 C ATOM 1475 O ASN A 94 -8.884 15.590 -5.142 0.98 0.00 O ATOM 1476 CB ASN A 94 -7.800 17.558 -3.164 1.00 0.00 C ATOM 1477 CG ASN A 94 -9.181 18.005 -3.603 0.26 0.00 C ATOM 1478 OD1 ASN A 94 -10.097 18.117 -2.788 1.00 0.00 O ATOM 1479 ND2 ASN A 94 -9.338 18.268 -4.896 0.40 0.00 N ATOM 0 H ASN A 94 -5.713 16.434 -2.461 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.446 15.622 -2.486 0.10 0.00 H new ATOM 0 HB2 ASN A 94 -7.587 17.966 -2.176 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -7.055 17.968 -3.846 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -10.245 18.576 -5.247 0.40 0.00 H new ATOM 0 HD22 ASN A 94 -8.552 18.162 -5.537 0.40 0.00 H new ATOM 1486 N ARG A 95 -6.782 14.796 -5.018 0.56 0.00 N ATOM 1487 CA ARG A 95 -6.815 14.198 -6.348 1.00 0.00 C ATOM 1488 C ARG A 95 -7.695 12.952 -6.361 1.00 0.00 C ATOM 1489 O ARG A 95 -8.122 12.496 -7.422 0.40 0.00 O ATOM 1490 CB ARG A 95 -5.398 13.841 -6.807 0.87 0.00 C ATOM 1491 CG ARG A 95 -5.325 13.380 -8.253 0.48 0.00 C ATOM 1492 CD ARG A 95 -3.904 13.008 -8.652 0.65 0.00 C ATOM 1493 NE ARG A 95 -3.390 11.882 -7.878 1.00 0.00 N ATOM 1494 CZ ARG A 95 -2.264 11.238 -8.173 1.00 0.00 C ATOM 1495 NH1 ARG A 95 -1.539 11.609 -9.220 0.61 0.00 N ATOM 1496 NH2 ARG A 95 -1.861 10.223 -7.419 0.08 0.00 N ATOM 0 H ARG A 95 -5.902 14.665 -4.518 0.56 0.00 H new ATOM 0 HA ARG A 95 -7.238 14.929 -7.037 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -4.754 14.711 -6.679 0.87 0.00 H new ATOM 0 HB3 ARG A 95 -5.004 13.055 -6.163 0.87 0.00 H new ATOM 0 HG2 ARG A 95 -5.980 12.520 -8.395 0.48 0.00 H new ATOM 0 HG3 ARG A 95 -5.692 14.171 -8.907 0.48 0.00 H new ATOM 0 HD2 ARG A 95 -3.880 12.758 -9.713 0.65 0.00 H new ATOM 0 HD3 ARG A 95 -3.252 13.870 -8.513 0.65 0.00 H new ATOM 0 HE ARG A 95 -3.924 11.572 -7.066 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -1.844 12.390 -9.801 0.61 0.00 H new ATOM 0 HH12 ARG A 95 -0.676 11.114 -9.444 0.61 0.00 H new ATOM 0 HH21 ARG A 95 -2.415 9.936 -6.612 0.08 0.00 H new ATOM 0 HH22 ARG A 95 -0.997 9.730 -7.646 0.08 0.00 H new ATOM 1510 N TRP A 96 -7.964 12.409 -5.178 0.26 0.00 N ATOM 1511 CA TRP A 96 -8.796 11.216 -5.054 0.98 0.00 C ATOM 1512 C TRP A 96 -10.168 11.440 -5.680 0.16 0.00 C ATOM 1513 O TRP A 96 -10.737 12.527 -5.578 0.08 0.00 O ATOM 1514 CB TRP A 96 -8.949 10.826 -3.581 0.71 0.00 C ATOM 1515 CG TRP A 96 -9.943 9.726 -3.356 1.00 0.00 C ATOM 1516 CD1 TRP A 96 -11.114 9.813 -2.659 0.07 0.00 C ATOM 1517 CD2 TRP A 96 -9.858 8.379 -3.831 0.07 0.00 C ATOM 1518 NE1 TRP A 96 -11.761 8.602 -2.669 1.00 0.00 N ATOM 1519 CE2 TRP A 96 -11.011 7.705 -3.383 0.35 0.00 C ATOM 1520 CE3 TRP A 96 -8.920 7.675 -4.592 0.25 0.00 C ATOM 1521 CZ2 TRP A 96 -11.249 6.363 -3.671 0.39 0.00 C ATOM 1522 CZ3 TRP A 96 -9.157 6.342 -4.876 1.00 0.00 C ATOM 1523 CH2 TRP A 96 -10.314 5.699 -4.417 0.09 0.00 C ATOM 0 H TRP A 96 -7.618 12.776 -4.291 0.26 0.00 H new ATOM 0 HA TRP A 96 -8.304 10.403 -5.588 0.98 0.00 H new ATOM 0 HB2 TRP A 96 -7.979 10.514 -3.193 0.71 0.00 H new ATOM 0 HB3 TRP A 96 -9.254 11.703 -3.010 0.71 0.00 H new ATOM 0 HD1 TRP A 96 -11.478 10.705 -2.171 0.07 0.00 H new ATOM 0 HE1 TRP A 96 -12.654 8.403 -2.218 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -8.026 8.163 -4.952 0.25 0.00 H new ATOM 0 HZ2 TRP A 96 -12.140 5.865 -3.318 0.39 0.00 H new ATOM 0 HZ3 TRP A 96 -8.438 5.788 -5.461 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -10.471 4.658 -4.657 0.09 0.00 H new ATOM 1534 N SER A 97 -10.695 10.403 -6.324 1.00 0.00 N ATOM 1535 CA SER A 97 -12.001 10.486 -6.969 1.00 0.00 C ATOM 1536 C SER A 97 -12.851 9.260 -6.633 0.47 0.00 C ATOM 1537 O SER A 97 -12.332 8.148 -6.539 0.22 0.00 O ATOM 1538 CB SER A 97 -11.839 10.608 -8.484 1.00 0.00 C ATOM 1539 OG SER A 97 -11.110 11.774 -8.826 0.16 0.00 O ATOM 0 H SER A 97 -10.238 9.496 -6.413 1.00 0.00 H new ATOM 0 HA SER A 97 -12.509 11.374 -6.593 1.00 0.00 H new ATOM 0 HB2 SER A 97 -11.325 9.728 -8.870 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.821 10.637 -8.957 1.00 0.00 H new ATOM 0 HG SER A 97 -11.018 11.829 -9.800 0.16 0.00 H new ATOM 1545 N PRO A 98 -14.174 9.444 -6.447 0.14 0.00 N ATOM 1546 CA PRO A 98 -15.085 8.344 -6.118 0.08 0.00 C ATOM 1547 C PRO A 98 -15.301 7.398 -7.296 1.00 0.00 C ATOM 1548 O PRO A 98 -15.981 6.380 -7.167 0.17 0.00 O ATOM 1549 CB PRO A 98 -16.402 9.047 -5.750 1.00 0.00 C ATOM 1550 CG PRO A 98 -16.076 10.502 -5.646 1.00 0.00 C ATOM 1551 CD PRO A 98 -14.887 10.726 -6.533 0.09 0.00 C ATOM 0 HA PRO A 98 -14.686 7.722 -5.317 0.08 0.00 H new ATOM 0 HB2 PRO A 98 -17.164 8.871 -6.509 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -16.797 8.667 -4.808 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -16.920 11.114 -5.964 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -15.851 10.778 -4.616 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -15.183 10.957 -7.556 0.09 0.00 H new ATOM 0 HD3 PRO A 98 -14.272 11.556 -6.184 0.09 0.00 H new ATOM 1559 N THR A 99 -14.716 7.737 -8.442 1.00 0.00 N ATOM 1560 CA THR A 99 -14.847 6.913 -9.638 0.96 0.00 C ATOM 1561 C THR A 99 -13.984 5.660 -9.538 0.12 0.00 C ATOM 1562 O THR A 99 -14.411 4.570 -9.923 0.71 0.00 O ATOM 1563 CB THR A 99 -14.452 7.695 -10.906 0.27 0.00 C ATOM 1564 OG1 THR A 99 -15.166 8.935 -10.961 0.34 0.00 O ATOM 1565 CG2 THR A 99 -14.749 6.882 -12.159 0.44 0.00 C ATOM 0 H THR A 99 -14.148 8.575 -8.567 1.00 0.00 H new ATOM 0 HA THR A 99 -15.896 6.625 -9.710 0.96 0.00 H new ATOM 0 HB THR A 99 -13.381 7.893 -10.863 0.27 0.00 H new ATOM 0 HG1 THR A 99 -14.907 9.426 -11.769 0.34 0.00 H new ATOM 0 HG21 THR A 99 -14.462 7.455 -13.041 0.44 0.00 H new ATOM 0 HG22 THR A 99 -14.183 5.951 -12.131 0.44 0.00 H new ATOM 0 HG23 THR A 99 -15.815 6.658 -12.203 0.44 0.00 H new ATOM 1573 N TYR A 100 -12.770 5.820 -9.020 0.15 0.00 N ATOM 1574 CA TYR A 100 -11.848 4.700 -8.871 1.00 0.00 C ATOM 1575 C TYR A 100 -12.376 3.686 -7.860 0.83 0.00 C ATOM 1576 O TYR A 100 -13.458 3.859 -7.299 0.07 0.00 O ATOM 1577 CB TYR A 100 -10.468 5.199 -8.437 0.17 0.00 C ATOM 1578 CG TYR A 100 -9.781 6.059 -9.472 0.08 0.00 C ATOM 1579 CD1 TYR A 100 -9.960 7.437 -9.490 0.66 0.00 C ATOM 1580 CD2 TYR A 100 -8.951 5.493 -10.434 0.30 0.00 C ATOM 1581 CE1 TYR A 100 -9.334 8.226 -10.436 1.00 0.00 C ATOM 1582 CE2 TYR A 100 -8.322 6.275 -11.381 0.28 0.00 C ATOM 1583 CZ TYR A 100 -8.515 7.640 -11.379 0.14 0.00 C ATOM 1584 OH TYR A 100 -7.888 8.423 -12.321 0.21 0.00 O ATOM 0 H TYR A 100 -12.402 6.715 -8.696 0.15 0.00 H new ATOM 0 HA TYR A 100 -11.760 4.207 -9.839 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -10.571 5.769 -7.514 0.17 0.00 H new ATOM 0 HB3 TYR A 100 -9.835 4.341 -8.212 0.17 0.00 H new ATOM 0 HD1 TYR A 100 -10.599 7.899 -8.752 0.66 0.00 H new ATOM 0 HD2 TYR A 100 -8.796 4.424 -10.440 0.30 0.00 H new ATOM 0 HE1 TYR A 100 -9.485 9.295 -10.437 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -7.681 5.819 -12.121 0.28 0.00 H new ATOM 0 HH TYR A 100 -7.347 7.856 -12.910 0.21 0.00 H new ATOM 1594 N ASP A 101 -11.601 2.629 -7.630 0.09 0.00 N ATOM 1595 CA ASP A 101 -11.988 1.584 -6.689 0.12 0.00 C ATOM 1596 C ASP A 101 -10.859 1.293 -5.705 0.62 0.00 C ATOM 1597 O ASP A 101 -9.856 2.004 -5.668 0.14 0.00 O ATOM 1598 CB ASP A 101 -12.369 0.307 -7.441 0.80 0.00 C ATOM 1599 CG ASP A 101 -13.539 0.515 -8.382 1.00 0.00 C ATOM 1600 OD1 ASP A 101 -14.695 0.388 -7.929 0.15 0.00 O ATOM 1601 OD2 ASP A 101 -13.301 0.805 -9.574 0.07 0.00 O ATOM 0 H ASP A 101 -10.701 2.474 -8.083 0.09 0.00 H new ATOM 0 HA ASP A 101 -12.853 1.937 -6.127 0.12 0.00 H new ATOM 0 HB2 ASP A 101 -11.509 -0.047 -8.009 0.80 0.00 H new ATOM 0 HB3 ASP A 101 -12.619 -0.473 -6.722 0.80 0.00 H new ATOM 1606 N VAL A 102 -11.029 0.240 -4.909 1.00 0.00 N ATOM 1607 CA VAL A 102 -10.022 -0.144 -3.925 0.10 0.00 C ATOM 1608 C VAL A 102 -8.746 -0.635 -4.605 0.39 0.00 C ATOM 1609 O VAL A 102 -7.656 -0.549 -4.038 0.71 0.00 O ATOM 1610 CB VAL A 102 -10.551 -1.248 -2.986 1.00 0.00 C ATOM 1611 CG1 VAL A 102 -10.886 -2.507 -3.773 1.00 0.00 C ATOM 1612 CG2 VAL A 102 -9.541 -1.549 -1.887 0.46 0.00 C ATOM 0 H VAL A 102 -11.853 -0.361 -4.926 1.00 0.00 H new ATOM 0 HA VAL A 102 -9.795 0.746 -3.338 0.10 0.00 H new ATOM 0 HB VAL A 102 -11.466 -0.888 -2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -11.257 -3.273 -3.093 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -11.651 -2.279 -4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -9.990 -2.871 -4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -9.934 -2.330 -1.236 0.46 0.00 H new ATOM 0 HG22 VAL A 102 -8.606 -1.886 -2.335 0.46 0.00 H new ATOM 0 HG23 VAL A 102 -9.359 -0.647 -1.303 0.46 0.00 H new ATOM 1622 N SER A 103 -8.889 -1.147 -5.823 0.59 0.00 N ATOM 1623 CA SER A 103 -7.749 -1.653 -6.580 0.13 0.00 C ATOM 1624 C SER A 103 -6.791 -0.526 -6.954 0.05 0.00 C ATOM 1625 O SER A 103 -5.581 -0.732 -7.035 1.00 0.00 O ATOM 1626 CB SER A 103 -8.229 -2.365 -7.844 1.00 0.00 C ATOM 1627 OG SER A 103 -8.969 -1.486 -8.674 0.25 0.00 O ATOM 0 H SER A 103 -9.783 -1.223 -6.307 0.59 0.00 H new ATOM 0 HA SER A 103 -7.214 -2.361 -5.947 0.13 0.00 H new ATOM 0 HB2 SER A 103 -7.372 -2.754 -8.394 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.848 -3.220 -7.571 1.00 0.00 H new ATOM 0 HG SER A 103 -9.264 -1.965 -9.477 0.25 0.00 H new ATOM 1633 N SER A 104 -7.342 0.663 -7.182 0.75 0.00 N ATOM 1634 CA SER A 104 -6.535 1.822 -7.553 0.19 0.00 C ATOM 1635 C SER A 104 -5.451 2.092 -6.511 0.08 0.00 C ATOM 1636 O SER A 104 -4.306 2.386 -6.855 1.00 0.00 O ATOM 1637 CB SER A 104 -7.421 3.059 -7.714 0.51 0.00 C ATOM 1638 OG SER A 104 -7.896 3.512 -6.459 0.30 0.00 O ATOM 0 H SER A 104 -8.343 0.849 -7.117 0.75 0.00 H new ATOM 0 HA SER A 104 -6.051 1.603 -8.505 0.19 0.00 H new ATOM 0 HB2 SER A 104 -6.856 3.854 -8.201 0.51 0.00 H new ATOM 0 HB3 SER A 104 -8.265 2.824 -8.363 0.51 0.00 H new ATOM 0 HG SER A 104 -8.615 2.922 -6.149 0.30 0.00 H new ATOM 1644 N ILE A 105 -5.821 1.991 -5.238 0.07 0.00 N ATOM 1645 CA ILE A 105 -4.881 2.226 -4.149 0.08 0.00 C ATOM 1646 C ILE A 105 -3.842 1.105 -4.073 0.14 0.00 C ATOM 1647 O ILE A 105 -2.693 1.332 -3.697 0.37 0.00 O ATOM 1648 CB ILE A 105 -5.621 2.367 -2.793 0.95 0.00 C ATOM 1649 CG1 ILE A 105 -4.961 3.446 -1.924 1.00 0.00 C ATOM 1650 CG2 ILE A 105 -5.681 1.036 -2.049 0.25 0.00 C ATOM 1651 CD1 ILE A 105 -3.539 3.125 -1.509 1.00 0.00 C ATOM 0 H ILE A 105 -6.765 1.748 -4.936 0.07 0.00 H new ATOM 0 HA ILE A 105 -4.364 3.163 -4.355 0.08 0.00 H new ATOM 0 HB ILE A 105 -6.645 2.674 -3.005 0.95 0.00 H new ATOM 0 HG12 ILE A 105 -4.964 4.389 -2.471 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -5.564 3.595 -1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -6.206 1.171 -1.103 0.25 0.00 H new ATOM 0 HG22 ILE A 105 -6.211 0.303 -2.657 0.25 0.00 H new ATOM 0 HG23 ILE A 105 -4.669 0.682 -1.854 0.25 0.00 H new ATOM 0 HD11 ILE A 105 -3.146 3.938 -0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -3.528 2.200 -0.933 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.919 3.006 -2.397 1.00 0.00 H new ATOM 1663 N LEU A 106 -4.255 -0.103 -4.445 1.00 0.00 N ATOM 1664 CA LEU A 106 -3.364 -1.258 -4.422 0.63 0.00 C ATOM 1665 C LEU A 106 -2.237 -1.095 -5.435 1.00 0.00 C ATOM 1666 O LEU A 106 -1.058 -1.187 -5.087 0.73 0.00 O ATOM 1667 CB LEU A 106 -4.150 -2.540 -4.715 0.68 0.00 C ATOM 1668 CG LEU A 106 -4.361 -3.469 -3.514 0.11 0.00 C ATOM 1669 CD1 LEU A 106 -4.949 -2.709 -2.332 0.21 0.00 C ATOM 1670 CD2 LEU A 106 -5.263 -4.632 -3.899 1.00 0.00 C ATOM 0 H LEU A 106 -5.201 -0.307 -4.766 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.925 -1.329 -3.427 0.63 0.00 H new ATOM 0 HB2 LEU A 106 -5.125 -2.265 -5.116 0.68 0.00 H new ATOM 0 HB3 LEU A 106 -3.630 -3.095 -5.496 0.68 0.00 H new ATOM 0 HG LEU A 106 -3.390 -3.862 -3.213 0.11 0.00 H new ATOM 0 HD11 LEU A 106 -5.089 -3.392 -1.494 0.21 0.00 H new ATOM 0 HD12 LEU A 106 -4.269 -1.909 -2.039 0.21 0.00 H new ATOM 0 HD13 LEU A 106 -5.911 -2.282 -2.616 0.21 0.00 H new ATOM 0 HD21 LEU A 106 -5.404 -5.284 -3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.230 -4.250 -4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.802 -5.197 -4.709 1.00 0.00 H new ATOM 1682 N THR A 107 -2.604 -0.852 -6.688 0.08 0.00 N ATOM 1683 CA THR A 107 -1.624 -0.675 -7.751 1.00 0.00 C ATOM 1684 C THR A 107 -0.786 0.578 -7.518 0.10 0.00 C ATOM 1685 O THR A 107 0.362 0.657 -7.957 1.00 0.00 O ATOM 1686 CB THR A 107 -2.302 -0.584 -9.129 1.00 0.00 C ATOM 1687 OG1 THR A 107 -3.165 0.559 -9.180 1.00 0.00 O ATOM 1688 CG2 THR A 107 -3.105 -1.843 -9.419 0.09 0.00 C ATOM 0 H THR A 107 -3.574 -0.773 -6.992 0.08 0.00 H new ATOM 0 HA THR A 107 -0.974 -1.550 -7.736 1.00 0.00 H new ATOM 0 HB THR A 107 -1.523 -0.483 -9.885 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.350 0.870 -8.269 1.00 0.00 H new ATOM 0 HG21 THR A 107 -3.576 -1.757 -10.398 0.09 0.00 H new ATOM 0 HG22 THR A 107 -2.442 -2.708 -9.410 0.09 0.00 H new ATOM 0 HG23 THR A 107 -3.874 -1.968 -8.657 0.09 0.00 H new ATOM 1696 N SER A 108 -1.367 1.555 -6.827 0.53 0.00 N ATOM 1697 CA SER A 108 -0.673 2.803 -6.537 0.60 0.00 C ATOM 1698 C SER A 108 0.567 2.544 -5.690 0.19 0.00 C ATOM 1699 O SER A 108 1.654 3.034 -5.997 0.09 0.00 O ATOM 1700 CB SER A 108 -1.604 3.776 -5.810 0.10 0.00 C ATOM 1701 OG SER A 108 -0.998 5.048 -5.667 0.91 0.00 O ATOM 0 H SER A 108 -2.317 1.505 -6.458 0.53 0.00 H new ATOM 0 HA SER A 108 -0.365 3.247 -7.483 0.60 0.00 H new ATOM 0 HB2 SER A 108 -2.537 3.874 -6.364 0.10 0.00 H new ATOM 0 HB3 SER A 108 -1.857 3.377 -4.828 0.10 0.00 H new ATOM 0 HG SER A 108 -1.646 5.678 -5.288 0.91 0.00 H new ATOM 1707 N ILE A 109 0.399 1.769 -4.622 0.43 0.00 N ATOM 1708 CA ILE A 109 1.507 1.441 -3.735 0.15 0.00 C ATOM 1709 C ILE A 109 2.526 0.561 -4.454 0.08 0.00 C ATOM 1710 O ILE A 109 3.730 0.668 -4.219 0.06 0.00 O ATOM 1711 CB ILE A 109 1.018 0.723 -2.461 0.83 0.00 C ATOM 1712 CG1 ILE A 109 0.011 1.601 -1.712 0.13 0.00 C ATOM 1713 CG2 ILE A 109 2.197 0.370 -1.563 1.00 0.00 C ATOM 1714 CD1 ILE A 109 -0.626 0.920 -0.517 0.07 0.00 C ATOM 0 H ILE A 109 -0.494 1.357 -4.351 0.43 0.00 H new ATOM 0 HA ILE A 109 1.978 2.380 -3.443 0.15 0.00 H new ATOM 0 HB ILE A 109 0.521 -0.203 -2.750 0.83 0.00 H new ATOM 0 HG12 ILE A 109 0.514 2.508 -1.376 0.13 0.00 H new ATOM 0 HG13 ILE A 109 -0.773 1.909 -2.404 0.13 0.00 H new ATOM 0 HG21 ILE A 109 1.834 -0.136 -0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 109 2.880 -0.288 -2.101 1.00 0.00 H new ATOM 0 HG23 ILE A 109 2.722 1.281 -1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -1.327 1.605 -0.039 0.07 0.00 H new ATOM 0 HD12 ILE A 109 -1.158 0.028 -0.848 0.07 0.00 H new ATOM 0 HD13 ILE A 109 0.148 0.637 0.196 0.07 0.00 H new ATOM 1726 N GLN A 110 2.031 -0.309 -5.331 0.14 0.00 N ATOM 1727 CA GLN A 110 2.894 -1.205 -6.096 1.00 0.00 C ATOM 1728 C GLN A 110 3.891 -0.407 -6.933 0.37 0.00 C ATOM 1729 O GLN A 110 5.022 -0.839 -7.155 1.00 0.00 O ATOM 1730 CB GLN A 110 2.050 -2.105 -7.002 0.32 0.00 C ATOM 1731 CG GLN A 110 2.871 -3.085 -7.826 0.10 0.00 C ATOM 1732 CD GLN A 110 2.018 -3.902 -8.778 0.48 0.00 C ATOM 1733 OE1 GLN A 110 0.970 -3.448 -9.237 1.00 0.00 O ATOM 1734 NE2 GLN A 110 2.467 -5.113 -9.084 0.09 0.00 N ATOM 0 H GLN A 110 1.036 -0.412 -5.530 0.14 0.00 H new ATOM 0 HA GLN A 110 3.450 -1.828 -5.396 1.00 0.00 H new ATOM 0 HB2 GLN A 110 1.343 -2.663 -6.388 0.32 0.00 H new ATOM 0 HB3 GLN A 110 1.463 -1.480 -7.675 0.32 0.00 H new ATOM 0 HG2 GLN A 110 3.621 -2.536 -8.395 0.10 0.00 H new ATOM 0 HG3 GLN A 110 3.408 -3.757 -7.156 0.10 0.00 H new ATOM 0 HE21 GLN A 110 3.341 -5.450 -8.680 0.09 0.00 H new ATOM 0 HE22 GLN A 110 1.938 -5.707 -9.723 0.09 0.00 H new ATOM 1743 N SER A 111 3.455 0.759 -7.398 1.00 0.00 N ATOM 1744 CA SER A 111 4.298 1.629 -8.213 0.27 0.00 C ATOM 1745 C SER A 111 5.393 2.289 -7.376 0.18 0.00 C ATOM 1746 O SER A 111 6.470 2.599 -7.886 0.30 0.00 O ATOM 1747 CB SER A 111 3.448 2.702 -8.895 0.19 0.00 C ATOM 1748 OG SER A 111 4.247 3.552 -9.700 0.11 0.00 O ATOM 0 H SER A 111 2.519 1.125 -7.224 1.00 0.00 H new ATOM 0 HA SER A 111 4.777 1.011 -8.972 0.27 0.00 H new ATOM 0 HB2 SER A 111 2.683 2.228 -9.510 0.19 0.00 H new ATOM 0 HB3 SER A 111 2.929 3.293 -8.140 0.19 0.00 H new ATOM 0 HG SER A 111 3.679 4.228 -10.126 0.11 0.00 H new ATOM 1754 N LEU A 112 5.110 2.503 -6.094 0.08 0.00 N ATOM 1755 CA LEU A 112 6.064 3.143 -5.190 0.91 0.00 C ATOM 1756 C LEU A 112 7.407 2.413 -5.182 0.48 0.00 C ATOM 1757 O LEU A 112 8.447 3.015 -5.451 0.41 0.00 O ATOM 1758 CB LEU A 112 5.495 3.196 -3.770 0.08 0.00 C ATOM 1759 CG LEU A 112 6.366 3.928 -2.748 0.59 0.00 C ATOM 1760 CD1 LEU A 112 6.392 5.422 -3.034 0.72 0.00 C ATOM 1761 CD2 LEU A 112 5.864 3.665 -1.335 1.00 0.00 C ATOM 0 H LEU A 112 4.226 2.242 -5.656 0.08 0.00 H new ATOM 0 HA LEU A 112 6.232 4.157 -5.552 0.91 0.00 H new ATOM 0 HB2 LEU A 112 4.519 3.679 -3.804 0.08 0.00 H new ATOM 0 HB3 LEU A 112 5.333 2.176 -3.422 0.08 0.00 H new ATOM 0 HG LEU A 112 7.384 3.547 -2.831 0.59 0.00 H new ATOM 0 HD11 LEU A 112 7.017 5.923 -2.295 0.72 0.00 H new ATOM 0 HD12 LEU A 112 6.799 5.595 -4.030 0.72 0.00 H new ATOM 0 HD13 LEU A 112 5.379 5.820 -2.982 0.72 0.00 H new ATOM 0 HD21 LEU A 112 6.495 4.193 -0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 112 4.837 4.018 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 112 5.900 2.595 -1.129 1.00 0.00 H new ATOM 1773 N LEU A 113 7.382 1.120 -4.875 1.00 0.00 N ATOM 1774 CA LEU A 113 8.608 0.326 -4.832 0.33 0.00 C ATOM 1775 C LEU A 113 9.209 0.172 -6.226 0.40 0.00 C ATOM 1776 O LEU A 113 10.404 -0.089 -6.371 0.71 0.00 O ATOM 1777 CB LEU A 113 8.345 -1.053 -4.220 1.00 0.00 C ATOM 1778 CG LEU A 113 7.312 -1.909 -4.956 1.00 0.00 C ATOM 1779 CD1 LEU A 113 7.664 -3.383 -4.839 0.21 0.00 C ATOM 1780 CD2 LEU A 113 5.919 -1.654 -4.399 0.16 0.00 C ATOM 0 H LEU A 113 6.532 0.601 -4.653 1.00 0.00 H new ATOM 0 HA LEU A 113 9.322 0.857 -4.203 0.33 0.00 H new ATOM 0 HB2 LEU A 113 9.286 -1.601 -4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.014 -0.918 -3.190 1.00 0.00 H new ATOM 0 HG LEU A 113 7.322 -1.632 -6.010 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.919 -3.978 -5.368 0.21 0.00 H new ATOM 0 HD12 LEU A 113 8.647 -3.558 -5.277 0.21 0.00 H new ATOM 0 HD13 LEU A 113 7.679 -3.671 -3.788 0.21 0.00 H new ATOM 0 HD21 LEU A 113 5.195 -2.270 -4.933 0.16 0.00 H new ATOM 0 HD22 LEU A 113 5.899 -1.907 -3.339 0.16 0.00 H new ATOM 0 HD23 LEU A 113 5.663 -0.602 -4.526 0.16 0.00 H new ATOM 1792 N ASP A 114 8.375 0.337 -7.249 1.00 0.00 N ATOM 1793 CA ASP A 114 8.829 0.219 -8.629 0.79 0.00 C ATOM 1794 C ASP A 114 9.717 1.396 -9.010 0.05 0.00 C ATOM 1795 O ASP A 114 10.732 1.230 -9.687 0.05 0.00 O ATOM 1796 CB ASP A 114 7.631 0.141 -9.577 1.00 0.00 C ATOM 1797 CG ASP A 114 8.048 -0.008 -11.027 0.95 0.00 C ATOM 1798 OD1 ASP A 114 8.267 -1.156 -11.467 1.00 0.00 O ATOM 1799 OD2 ASP A 114 8.156 1.024 -11.724 0.07 0.00 O ATOM 0 H ASP A 114 7.383 0.552 -7.148 1.00 0.00 H new ATOM 0 HA ASP A 114 9.413 -0.697 -8.717 0.79 0.00 H new ATOM 0 HB2 ASP A 114 7.002 -0.703 -9.294 1.00 0.00 H new ATOM 0 HB3 ASP A 114 7.025 1.040 -9.467 1.00 0.00 H new ATOM 1804 N GLU A 115 9.330 2.588 -8.564 0.07 0.00 N ATOM 1805 CA GLU A 115 10.083 3.799 -8.852 0.08 0.00 C ATOM 1806 C GLU A 115 9.533 4.980 -8.049 0.17 0.00 C ATOM 1807 O GLU A 115 8.357 5.325 -8.171 0.25 0.00 O ATOM 1808 CB GLU A 115 10.027 4.114 -10.348 1.00 0.00 C ATOM 1809 CG GLU A 115 8.616 4.150 -10.912 1.00 0.00 C ATOM 1810 CD GLU A 115 8.593 4.415 -12.404 0.05 0.00 C ATOM 1811 OE1 GLU A 115 8.681 5.597 -12.800 0.25 0.00 O ATOM 1812 OE2 GLU A 115 8.489 3.441 -13.178 1.00 0.00 O ATOM 0 H GLU A 115 8.494 2.738 -7.999 0.07 0.00 H new ATOM 0 HA GLU A 115 11.121 3.634 -8.562 0.08 0.00 H new ATOM 0 HB2 GLU A 115 10.505 5.078 -10.526 1.00 0.00 H new ATOM 0 HB3 GLU A 115 10.606 3.366 -10.890 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.122 3.200 -10.708 1.00 0.00 H new ATOM 0 HG3 GLU A 115 8.043 4.923 -10.400 1.00 0.00 H new ATOM 1819 N PRO A 116 10.374 5.616 -7.210 0.25 0.00 N ATOM 1820 CA PRO A 116 9.955 6.760 -6.394 0.10 0.00 C ATOM 1821 C PRO A 116 9.652 7.992 -7.239 1.00 0.00 C ATOM 1822 O PRO A 116 9.506 7.902 -8.459 0.09 0.00 O ATOM 1823 CB PRO A 116 11.161 7.020 -5.490 0.06 0.00 C ATOM 1824 CG PRO A 116 12.321 6.461 -6.238 0.05 0.00 C ATOM 1825 CD PRO A 116 11.791 5.273 -6.988 0.53 0.00 C ATOM 0 HA PRO A 116 9.035 6.552 -5.848 0.10 0.00 H new ATOM 0 HB2 PRO A 116 11.290 8.085 -5.298 0.06 0.00 H new ATOM 0 HB3 PRO A 116 11.042 6.534 -4.522 0.06 0.00 H new ATOM 0 HG2 PRO A 116 12.738 7.200 -6.922 0.05 0.00 H new ATOM 0 HG3 PRO A 116 13.121 6.169 -5.558 0.05 0.00 H new ATOM 0 HD2 PRO A 116 12.320 5.122 -7.929 0.53 0.00 H new ATOM 0 HD3 PRO A 116 11.897 4.354 -6.412 0.53 0.00 H new ATOM 1833 N ASN A 117 9.556 9.142 -6.582 0.07 0.00 N ATOM 1834 CA ASN A 117 9.272 10.397 -7.269 0.51 0.00 C ATOM 1835 C ASN A 117 10.488 11.324 -7.229 0.27 0.00 C ATOM 1836 O ASN A 117 11.258 11.303 -6.267 0.27 0.00 O ATOM 1837 CB ASN A 117 8.064 11.088 -6.636 0.23 0.00 C ATOM 1838 CG ASN A 117 8.300 11.456 -5.184 0.42 0.00 C ATOM 1839 OD1 ASN A 117 9.064 10.797 -4.479 1.00 0.00 O ATOM 1840 ND2 ASN A 117 7.641 12.515 -4.729 0.07 0.00 N ATOM 0 H ASN A 117 9.671 9.232 -5.572 0.07 0.00 H new ATOM 0 HA ASN A 117 9.044 10.171 -8.311 0.51 0.00 H new ATOM 0 HB2 ASN A 117 7.827 11.989 -7.202 0.23 0.00 H new ATOM 0 HB3 ASN A 117 7.197 10.431 -6.705 0.23 0.00 H new ATOM 0 HD21 ASN A 117 7.758 12.811 -3.760 0.07 0.00 H new ATOM 0 HD22 ASN A 117 7.017 13.033 -5.348 0.07 0.00 H new ATOM 1847 N PRO A 118 10.679 12.152 -8.276 0.05 0.00 N ATOM 1848 CA PRO A 118 11.813 13.083 -8.349 0.71 0.00 C ATOM 1849 C PRO A 118 11.828 14.072 -7.187 0.23 0.00 C ATOM 1850 O PRO A 118 12.877 14.613 -6.836 0.14 0.00 O ATOM 1851 CB PRO A 118 11.596 13.821 -9.675 0.15 0.00 C ATOM 1852 CG PRO A 118 10.691 12.941 -10.468 0.15 0.00 C ATOM 1853 CD PRO A 118 9.816 12.245 -9.464 1.00 0.00 C ATOM 0 HA PRO A 118 12.767 12.559 -8.292 0.71 0.00 H new ATOM 0 HB2 PRO A 118 11.148 14.801 -9.511 0.15 0.00 H new ATOM 0 HB3 PRO A 118 12.541 13.985 -10.194 0.15 0.00 H new ATOM 0 HG2 PRO A 118 10.094 13.524 -11.170 0.15 0.00 H new ATOM 0 HG3 PRO A 118 11.261 12.221 -11.056 0.15 0.00 H new ATOM 0 HD2 PRO A 118 8.908 12.812 -9.259 1.00 0.00 H new ATOM 0 HD3 PRO A 118 9.505 11.261 -9.814 1.00 0.00 H new ATOM 1861 N ASN A 119 10.661 14.303 -6.595 0.11 0.00 N ATOM 1862 CA ASN A 119 10.541 15.228 -5.474 0.47 0.00 C ATOM 1863 C ASN A 119 11.209 14.659 -4.225 1.00 0.00 C ATOM 1864 O ASN A 119 11.763 13.560 -4.254 1.00 0.00 O ATOM 1865 CB ASN A 119 9.068 15.529 -5.188 0.36 0.00 C ATOM 1866 CG ASN A 119 8.366 16.157 -6.376 0.64 0.00 C ATOM 1867 OD1 ASN A 119 8.985 16.853 -7.181 1.00 0.00 O ATOM 1868 ND2 ASN A 119 7.065 15.918 -6.490 0.06 0.00 N ATOM 0 H ASN A 119 9.784 13.862 -6.873 0.11 0.00 H new ATOM 0 HA ASN A 119 11.047 16.155 -5.744 0.47 0.00 H new ATOM 0 HB2 ASN A 119 8.558 14.606 -4.914 0.36 0.00 H new ATOM 0 HB3 ASN A 119 8.996 16.199 -4.331 0.36 0.00 H new ATOM 0 HD21 ASN A 119 6.539 16.317 -7.268 0.06 0.00 H new ATOM 0 HD22 ASN A 119 6.591 15.335 -5.800 0.06 0.00 H new ATOM 1875 N SER A 120 11.152 15.414 -3.133 0.98 0.00 N ATOM 1876 CA SER A 120 11.754 14.986 -1.875 0.07 0.00 C ATOM 1877 C SER A 120 10.851 13.991 -1.147 0.09 0.00 C ATOM 1878 O SER A 120 9.626 14.067 -1.248 0.28 0.00 O ATOM 1879 CB SER A 120 12.026 16.198 -0.982 1.00 0.00 C ATOM 1880 OG SER A 120 12.905 17.112 -1.615 0.22 0.00 O ATOM 0 H SER A 120 10.695 16.325 -3.093 0.98 0.00 H new ATOM 0 HA SER A 120 12.698 14.489 -2.101 0.07 0.00 H new ATOM 0 HB2 SER A 120 11.086 16.697 -0.745 1.00 0.00 H new ATOM 0 HB3 SER A 120 12.458 15.868 -0.037 1.00 0.00 H new ATOM 0 HG SER A 120 13.061 17.878 -1.024 0.22 0.00 H new ATOM 1886 N PRO A 121 11.446 13.041 -0.399 0.32 0.00 N ATOM 1887 CA PRO A 121 10.688 12.030 0.347 0.27 0.00 C ATOM 1888 C PRO A 121 10.095 12.586 1.636 0.05 0.00 C ATOM 1889 O PRO A 121 9.960 13.799 1.797 0.09 0.00 O ATOM 1890 CB PRO A 121 11.746 10.975 0.659 0.09 0.00 C ATOM 1891 CG PRO A 121 13.014 11.745 0.770 0.40 0.00 C ATOM 1892 CD PRO A 121 12.904 12.876 -0.218 1.00 0.00 C ATOM 0 HA PRO A 121 9.835 11.653 -0.217 0.27 0.00 H new ATOM 0 HB2 PRO A 121 11.519 10.447 1.585 0.09 0.00 H new ATOM 0 HB3 PRO A 121 11.804 10.225 -0.130 0.09 0.00 H new ATOM 0 HG2 PRO A 121 13.152 12.124 1.783 0.40 0.00 H new ATOM 0 HG3 PRO A 121 13.874 11.114 0.546 0.40 0.00 H new ATOM 0 HD2 PRO A 121 13.366 13.787 0.163 1.00 0.00 H new ATOM 0 HD3 PRO A 121 13.400 12.636 -1.159 1.00 0.00 H new ATOM 1900 N ALA A 122 9.740 11.690 2.552 0.10 0.00 N ATOM 1901 CA ALA A 122 9.169 12.088 3.833 0.09 0.00 C ATOM 1902 C ALA A 122 10.202 11.933 4.940 0.13 0.00 C ATOM 1903 O ALA A 122 9.969 12.319 6.086 0.05 0.00 O ATOM 1904 CB ALA A 122 7.928 11.265 4.143 1.00 0.00 C ATOM 0 H ALA A 122 9.838 10.682 2.430 0.10 0.00 H new ATOM 0 HA ALA A 122 8.878 13.137 3.773 0.09 0.00 H new ATOM 0 HB1 ALA A 122 7.516 11.576 5.103 1.00 0.00 H new ATOM 0 HB2 ALA A 122 7.184 11.420 3.361 1.00 0.00 H new ATOM 0 HB3 ALA A 122 8.194 10.209 4.187 1.00 0.00 H new ATOM 1910 N ASN A 123 11.347 11.362 4.581 0.41 0.00 N ATOM 1911 CA ASN A 123 12.431 11.146 5.528 0.10 0.00 C ATOM 1912 C ASN A 123 13.771 11.539 4.914 0.97 0.00 C ATOM 1913 O ASN A 123 14.358 10.777 4.144 0.15 0.00 O ATOM 1914 CB ASN A 123 12.468 9.683 5.969 1.00 0.00 C ATOM 1915 CG ASN A 123 11.377 9.352 6.969 1.00 0.00 C ATOM 1916 OD1 ASN A 123 10.227 8.921 6.466 0.08 0.00 O flip ATOM 1917 ND2 ASN A 123 11.567 9.481 8.178 1.00 0.00 N flip ATOM 0 H ASN A 123 11.547 11.039 3.634 0.41 0.00 H new ATOM 0 HA ASN A 123 12.251 11.775 6.400 0.10 0.00 H new ATOM 0 HB2 ASN A 123 12.363 9.040 5.095 1.00 0.00 H new ATOM 0 HB3 ASN A 123 13.440 9.464 6.411 1.00 0.00 H new ATOM 0 HD21 ASN A 123 12.468 9.816 8.520 1.00 0.00 H new ATOM 0 HD22 ASN A 123 10.824 9.253 8.838 1.00 0.00 H new ATOM 1924 N SER A 124 14.243 12.732 5.256 0.97 0.00 N ATOM 1925 CA SER A 124 15.512 13.230 4.738 0.32 0.00 C ATOM 1926 C SER A 124 16.666 12.325 5.159 0.40 0.00 C ATOM 1927 O SER A 124 17.678 12.230 4.464 1.00 0.00 O ATOM 1928 CB SER A 124 15.761 14.656 5.235 0.50 0.00 C ATOM 1929 OG SER A 124 15.801 14.702 6.650 0.32 0.00 O ATOM 0 H SER A 124 13.766 13.373 5.890 0.97 0.00 H new ATOM 0 HA SER A 124 15.456 13.233 3.649 0.32 0.00 H new ATOM 0 HB2 SER A 124 16.702 15.027 4.829 0.50 0.00 H new ATOM 0 HB3 SER A 124 14.974 15.315 4.869 0.50 0.00 H new ATOM 0 HG SER A 124 15.963 15.623 6.943 0.32 0.00 H new ATOM 1935 N GLN A 125 16.502 11.659 6.296 0.12 0.00 N ATOM 1936 CA GLN A 125 17.529 10.764 6.817 0.05 0.00 C ATOM 1937 C GLN A 125 17.574 9.458 6.029 1.00 0.00 C ATOM 1938 O GLN A 125 18.644 9.010 5.616 0.12 0.00 O ATOM 1939 CB GLN A 125 17.276 10.473 8.295 1.00 0.00 C ATOM 1940 CG GLN A 125 18.335 9.587 8.932 1.00 0.00 C ATOM 1941 CD GLN A 125 19.670 10.290 9.109 0.52 0.00 C ATOM 1942 OE1 GLN A 125 20.028 11.176 8.334 0.64 0.00 O ATOM 1943 NE2 GLN A 125 20.415 9.892 10.134 0.56 0.00 N ATOM 0 H GLN A 125 15.665 11.722 6.876 0.12 0.00 H new ATOM 0 HA GLN A 125 18.493 11.261 6.709 0.05 0.00 H new ATOM 0 HB2 GLN A 125 17.228 11.416 8.839 1.00 0.00 H new ATOM 0 HB3 GLN A 125 16.302 9.994 8.401 1.00 0.00 H new ATOM 0 HG2 GLN A 125 17.979 9.246 9.904 1.00 0.00 H new ATOM 0 HG3 GLN A 125 18.477 8.700 8.315 1.00 0.00 H new ATOM 0 HE21 GLN A 125 20.079 9.153 10.752 0.56 0.00 H new ATOM 0 HE22 GLN A 125 21.323 10.325 10.303 0.56 0.00 H new ATOM 1952 N ALA A 126 16.406 8.853 5.821 0.54 0.00 N ATOM 1953 CA ALA A 126 16.313 7.595 5.088 0.05 0.00 C ATOM 1954 C ALA A 126 16.987 7.697 3.724 1.00 0.00 C ATOM 1955 O ALA A 126 17.812 6.855 3.364 0.10 0.00 O ATOM 1956 CB ALA A 126 14.855 7.184 4.928 0.47 0.00 C ATOM 0 H ALA A 126 15.511 9.215 6.151 0.54 0.00 H new ATOM 0 HA ALA A 126 16.836 6.831 5.664 0.05 0.00 H new ATOM 0 HB1 ALA A 126 14.800 6.244 4.379 0.47 0.00 H new ATOM 0 HB2 ALA A 126 14.403 7.057 5.912 0.47 0.00 H new ATOM 0 HB3 ALA A 126 14.317 7.957 4.378 0.47 0.00 H new ATOM 1962 N ALA A 127 16.636 8.733 2.972 0.93 0.00 N ATOM 1963 CA ALA A 127 17.208 8.947 1.649 0.19 0.00 C ATOM 1964 C ALA A 127 18.692 9.295 1.735 1.00 0.00 C ATOM 1965 O ALA A 127 19.476 8.928 0.861 1.00 0.00 O ATOM 1966 CB ALA A 127 16.447 10.045 0.920 0.28 0.00 C ATOM 0 H ALA A 127 15.957 9.439 3.257 0.93 0.00 H new ATOM 0 HA ALA A 127 17.116 8.018 1.087 0.19 0.00 H new ATOM 0 HB1 ALA A 127 16.883 10.196 -0.067 0.28 0.00 H new ATOM 0 HB2 ALA A 127 15.402 9.755 0.814 0.28 0.00 H new ATOM 0 HB3 ALA A 127 16.510 10.972 1.490 0.28 0.00 H new ATOM 1972 N GLN A 128 19.070 10.003 2.795 0.16 0.00 N ATOM 1973 CA GLN A 128 20.458 10.406 2.994 0.08 0.00 C ATOM 1974 C GLN A 128 21.384 9.192 3.066 1.00 0.00 C ATOM 1975 O GLN A 128 22.525 9.243 2.607 0.76 0.00 O ATOM 1976 CB GLN A 128 20.592 11.237 4.271 0.27 0.00 C ATOM 1977 CG GLN A 128 22.005 11.733 4.532 0.06 0.00 C ATOM 1978 CD GLN A 128 22.107 12.556 5.802 0.08 0.00 C ATOM 1979 OE1 GLN A 128 21.938 13.776 5.781 0.08 0.00 O ATOM 1980 NE2 GLN A 128 22.385 11.891 6.917 1.00 0.00 N ATOM 0 H GLN A 128 18.433 10.310 3.530 0.16 0.00 H new ATOM 0 HA GLN A 128 20.754 11.012 2.137 0.08 0.00 H new ATOM 0 HB2 GLN A 128 19.921 12.094 4.208 0.27 0.00 H new ATOM 0 HB3 GLN A 128 20.264 10.637 5.120 0.27 0.00 H new ATOM 0 HG2 GLN A 128 22.679 10.879 4.601 0.06 0.00 H new ATOM 0 HG3 GLN A 128 22.338 12.334 3.686 0.06 0.00 H new ATOM 0 HE21 GLN A 128 22.517 10.880 6.888 1.00 0.00 H new ATOM 0 HE22 GLN A 128 22.466 12.391 7.802 1.00 0.00 H new ATOM 1989 N LEU A 129 20.885 8.102 3.644 0.08 0.00 N ATOM 1990 CA LEU A 129 21.673 6.880 3.775 0.19 0.00 C ATOM 1991 C LEU A 129 22.102 6.347 2.411 0.16 0.00 C ATOM 1992 O LEU A 129 23.131 5.684 2.294 0.07 0.00 O ATOM 1993 CB LEU A 129 20.878 5.807 4.527 1.00 0.00 C ATOM 1994 CG LEU A 129 21.117 5.743 6.041 1.00 0.00 C ATOM 1995 CD1 LEU A 129 22.572 5.416 6.343 0.28 0.00 C ATOM 1996 CD2 LEU A 129 20.715 7.051 6.706 1.00 0.00 C ATOM 0 H LEU A 129 19.942 8.040 4.028 0.08 0.00 H new ATOM 0 HA LEU A 129 22.570 7.125 4.344 0.19 0.00 H new ATOM 0 HB2 LEU A 129 19.816 5.978 4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 129 21.119 4.834 4.098 1.00 0.00 H new ATOM 0 HG LEU A 129 20.495 4.946 6.449 1.00 0.00 H new ATOM 0 HD11 LEU A 129 22.719 5.376 7.422 0.28 0.00 H new ATOM 0 HD12 LEU A 129 22.826 4.451 5.906 0.28 0.00 H new ATOM 0 HD13 LEU A 129 23.214 6.187 5.918 0.28 0.00 H new ATOM 0 HD21 LEU A 129 20.893 6.983 7.779 1.00 0.00 H new ATOM 0 HD22 LEU A 129 21.307 7.867 6.291 1.00 0.00 H new ATOM 0 HD23 LEU A 129 19.657 7.241 6.525 1.00 0.00 H new ATOM 2008 N TYR A 130 21.314 6.641 1.382 0.17 0.00 N ATOM 2009 CA TYR A 130 21.624 6.181 0.031 0.09 0.00 C ATOM 2010 C TYR A 130 22.841 6.909 -0.533 1.00 0.00 C ATOM 2011 O TYR A 130 23.769 6.282 -1.046 1.00 0.00 O ATOM 2012 CB TYR A 130 20.420 6.388 -0.891 0.12 0.00 C ATOM 2013 CG TYR A 130 20.649 5.913 -2.309 0.22 0.00 C ATOM 2014 CD1 TYR A 130 20.441 4.585 -2.662 0.45 0.00 C ATOM 2015 CD2 TYR A 130 21.075 6.794 -3.297 0.15 0.00 C ATOM 2016 CE1 TYR A 130 20.650 4.149 -3.957 1.00 0.00 C ATOM 2017 CE2 TYR A 130 21.286 6.364 -4.593 0.07 0.00 C ATOM 2018 CZ TYR A 130 21.073 5.042 -4.918 0.98 0.00 C ATOM 2019 OH TYR A 130 21.282 4.611 -6.207 0.13 0.00 O ATOM 0 H TYR A 130 20.460 7.193 1.456 0.17 0.00 H new ATOM 0 HA TYR A 130 21.855 5.117 0.085 0.09 0.00 H new ATOM 0 HB2 TYR A 130 19.561 5.861 -0.475 0.12 0.00 H new ATOM 0 HB3 TYR A 130 20.166 7.448 -0.909 0.12 0.00 H new ATOM 0 HD1 TYR A 130 20.110 3.882 -1.912 0.45 0.00 H new ATOM 0 HD2 TYR A 130 21.244 7.831 -3.047 0.15 0.00 H new ATOM 0 HE1 TYR A 130 20.483 3.114 -4.215 1.00 0.00 H new ATOM 0 HE2 TYR A 130 21.617 7.061 -5.348 0.07 0.00 H new ATOM 0 HH TYR A 130 21.577 5.364 -6.760 0.13 0.00 H new ATOM 2029 N GLN A 131 22.836 8.236 -0.431 0.96 0.00 N ATOM 2030 CA GLN A 131 23.934 9.048 -0.943 0.25 0.00 C ATOM 2031 C GLN A 131 25.165 8.955 -0.042 0.59 0.00 C ATOM 2032 O GLN A 131 26.280 9.256 -0.471 0.16 0.00 O ATOM 2033 CB GLN A 131 23.495 10.506 -1.085 1.00 0.00 C ATOM 2034 CG GLN A 131 23.006 11.128 0.213 0.38 0.00 C ATOM 2035 CD GLN A 131 22.551 12.563 0.035 0.39 0.00 C ATOM 2036 OE1 GLN A 131 22.079 12.950 -1.036 0.71 0.00 O ATOM 2037 NE2 GLN A 131 22.689 13.363 1.086 0.21 0.00 N ATOM 0 H GLN A 131 22.083 8.771 0.002 0.96 0.00 H new ATOM 0 HA GLN A 131 24.205 8.659 -1.924 0.25 0.00 H new ATOM 0 HB2 GLN A 131 24.331 11.092 -1.466 1.00 0.00 H new ATOM 0 HB3 GLN A 131 22.700 10.566 -1.828 1.00 0.00 H new ATOM 0 HG2 GLN A 131 22.181 10.535 0.608 0.38 0.00 H new ATOM 0 HG3 GLN A 131 23.806 11.093 0.953 0.38 0.00 H new ATOM 0 HE21 GLN A 131 23.085 13.001 1.954 0.21 0.00 H new ATOM 0 HE22 GLN A 131 22.399 14.339 1.025 0.21 0.00 H new ATOM 2046 N GLU A 132 24.960 8.540 1.204 0.11 0.00 N ATOM 2047 CA GLU A 132 26.057 8.413 2.156 0.06 0.00 C ATOM 2048 C GLU A 132 26.588 6.983 2.192 1.00 0.00 C ATOM 2049 O GLU A 132 27.646 6.689 1.635 0.12 0.00 O ATOM 2050 CB GLU A 132 25.602 8.837 3.554 1.00 0.00 C ATOM 2051 CG GLU A 132 25.270 10.317 3.663 0.14 0.00 C ATOM 2052 CD GLU A 132 26.458 11.205 3.348 0.54 0.00 C ATOM 2053 OE1 GLU A 132 27.272 11.457 4.262 0.06 0.00 O ATOM 2054 OE2 GLU A 132 26.575 11.650 2.185 0.55 0.00 O ATOM 0 H GLU A 132 24.045 8.286 1.577 0.11 0.00 H new ATOM 0 HA GLU A 132 26.863 9.071 1.830 0.06 0.00 H new ATOM 0 HB2 GLU A 132 24.724 8.255 3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 132 26.386 8.595 4.271 1.00 0.00 H new ATOM 0 HG2 GLU A 132 24.453 10.554 2.981 0.14 0.00 H new ATOM 0 HG3 GLU A 132 24.917 10.533 4.671 0.14 0.00 H new ATOM 2061 N ASN A 133 25.845 6.098 2.848 1.00 0.00 N ATOM 2062 CA ASN A 133 26.236 4.699 2.957 1.00 0.00 C ATOM 2063 C ASN A 133 25.103 3.788 2.496 0.68 0.00 C ATOM 2064 O ASN A 133 24.302 3.317 3.306 0.60 0.00 O ATOM 2065 CB ASN A 133 26.623 4.370 4.401 0.06 0.00 C ATOM 2066 CG ASN A 133 27.864 5.118 4.850 0.25 0.00 C ATOM 2067 OD1 ASN A 133 28.750 5.414 4.048 0.09 0.00 O ATOM 2068 ND2 ASN A 133 27.933 5.429 6.140 0.17 0.00 N ATOM 0 H ASN A 133 24.966 6.327 3.313 1.00 0.00 H new ATOM 0 HA ASN A 133 27.099 4.530 2.313 1.00 0.00 H new ATOM 0 HB2 ASN A 133 25.793 4.618 5.063 0.06 0.00 H new ATOM 0 HB3 ASN A 133 26.795 3.298 4.493 0.06 0.00 H new ATOM 0 HD21 ASN A 133 28.743 5.933 6.501 0.17 0.00 H new ATOM 0 HD22 ASN A 133 27.176 5.164 6.770 0.17 0.00 H new ATOM 2075 N LYS A 134 25.035 3.554 1.189 1.00 0.00 N ATOM 2076 CA LYS A 134 23.992 2.713 0.611 0.29 0.00 C ATOM 2077 C LYS A 134 24.103 1.275 1.109 0.22 0.00 C ATOM 2078 O LYS A 134 23.179 0.480 0.943 0.52 0.00 O ATOM 2079 CB LYS A 134 24.068 2.747 -0.916 1.00 0.00 C ATOM 2080 CG LYS A 134 25.334 2.123 -1.478 0.35 0.00 C ATOM 2081 CD LYS A 134 25.459 2.369 -2.973 0.05 0.00 C ATOM 2082 CE LYS A 134 26.634 1.611 -3.567 0.18 0.00 C ATOM 2083 NZ LYS A 134 26.837 1.940 -5.006 0.06 0.00 N ATOM 0 H LYS A 134 25.692 3.936 0.508 1.00 0.00 H new ATOM 0 HA LYS A 134 23.028 3.109 0.929 0.29 0.00 H new ATOM 0 HB2 LYS A 134 23.203 2.225 -1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 134 24.004 3.782 -1.251 1.00 0.00 H new ATOM 0 HG2 LYS A 134 26.203 2.536 -0.966 0.35 0.00 H new ATOM 0 HG3 LYS A 134 25.330 1.050 -1.284 0.35 0.00 H new ATOM 0 HD2 LYS A 134 24.539 2.064 -3.471 0.05 0.00 H new ATOM 0 HD3 LYS A 134 25.582 3.436 -3.158 0.05 0.00 H new ATOM 0 HE2 LYS A 134 27.539 1.849 -3.009 0.18 0.00 H new ATOM 0 HE3 LYS A 134 26.466 0.539 -3.460 0.18 0.00 H new ATOM 0 HZ1 LYS A 134 27.648 1.403 -5.374 0.06 0.00 H new ATOM 0 HZ2 LYS A 134 25.983 1.689 -5.543 0.06 0.00 H new ATOM 0 HZ3 LYS A 134 27.022 2.958 -5.106 0.06 0.00 H new ATOM 2097 N ARG A 135 25.239 0.948 1.716 0.08 0.00 N ATOM 2098 CA ARG A 135 25.464 -0.393 2.241 1.00 0.00 C ATOM 2099 C ARG A 135 24.493 -0.696 3.376 1.00 0.00 C ATOM 2100 O ARG A 135 24.117 -1.846 3.594 1.00 0.00 O ATOM 2101 CB ARG A 135 26.905 -0.534 2.737 0.18 0.00 C ATOM 2102 CG ARG A 135 27.284 0.488 3.797 1.00 0.00 C ATOM 2103 CD ARG A 135 28.729 0.323 4.237 0.28 0.00 C ATOM 2104 NE ARG A 135 28.956 -0.956 4.903 1.00 0.00 N ATOM 2105 CZ ARG A 135 30.134 -1.569 4.943 0.89 0.00 C ATOM 2106 NH1 ARG A 135 31.194 -1.018 4.366 1.00 0.00 N ATOM 2107 NH2 ARG A 135 30.254 -2.735 5.561 0.14 0.00 N ATOM 0 H ARG A 135 26.017 1.593 1.856 0.08 0.00 H new ATOM 0 HA ARG A 135 25.293 -1.108 1.436 1.00 0.00 H new ATOM 0 HB2 ARG A 135 27.045 -1.536 3.143 0.18 0.00 H new ATOM 0 HB3 ARG A 135 27.584 -0.436 1.890 0.18 0.00 H new ATOM 0 HG2 ARG A 135 27.135 1.494 3.404 1.00 0.00 H new ATOM 0 HG3 ARG A 135 26.625 0.381 4.659 1.00 0.00 H new ATOM 0 HD2 ARG A 135 29.383 0.401 3.369 0.28 0.00 H new ATOM 0 HD3 ARG A 135 28.997 1.136 4.912 0.28 0.00 H new ATOM 0 HE ARG A 135 28.165 -1.405 5.364 1.00 0.00 H new ATOM 0 HH11 ARG A 135 31.106 -0.120 3.889 1.00 0.00 H new ATOM 0 HH12 ARG A 135 32.097 -1.492 4.399 1.00 0.00 H new ATOM 0 HH21 ARG A 135 29.442 -3.162 6.006 0.14 0.00 H new ATOM 0 HH22 ARG A 135 31.159 -3.205 5.591 0.14 0.00 H new ATOM 2121 N GLU A 136 24.091 0.346 4.093 0.30 0.00 N ATOM 2122 CA GLU A 136 23.163 0.195 5.205 1.00 0.00 C ATOM 2123 C GLU A 136 21.732 0.055 4.699 0.44 0.00 C ATOM 2124 O GLU A 136 20.926 -0.672 5.279 1.00 0.00 O ATOM 2125 CB GLU A 136 23.269 1.395 6.147 0.07 0.00 C ATOM 2126 CG GLU A 136 22.437 1.253 7.412 0.23 0.00 C ATOM 2127 CD GLU A 136 22.860 0.067 8.257 1.00 0.00 C ATOM 2128 OE1 GLU A 136 23.798 0.218 9.068 1.00 0.00 O ATOM 2129 OE2 GLU A 136 22.252 -1.014 8.107 0.20 0.00 O ATOM 0 H GLU A 136 24.394 1.305 3.924 0.30 0.00 H new ATOM 0 HA GLU A 136 23.427 -0.711 5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 136 24.314 1.538 6.424 0.07 0.00 H new ATOM 0 HB3 GLU A 136 22.955 2.293 5.615 0.07 0.00 H new ATOM 0 HG2 GLU A 136 22.523 2.165 8.003 0.23 0.00 H new ATOM 0 HG3 GLU A 136 21.387 1.146 7.142 0.23 0.00 H new ATOM 2136 N TYR A 137 21.427 0.753 3.609 0.07 0.00 N ATOM 2137 CA TYR A 137 20.092 0.712 3.023 0.46 0.00 C ATOM 2138 C TYR A 137 19.813 -0.652 2.400 0.06 0.00 C ATOM 2139 O TYR A 137 18.763 -1.249 2.640 0.07 0.00 O ATOM 2140 CB TYR A 137 19.945 1.810 1.969 1.00 0.00 C ATOM 2141 CG TYR A 137 18.564 1.881 1.355 0.19 0.00 C ATOM 2142 CD1 TYR A 137 17.519 2.504 2.022 0.59 0.00 C ATOM 2143 CD2 TYR A 137 18.308 1.323 0.108 0.20 0.00 C ATOM 2144 CE1 TYR A 137 16.255 2.571 1.465 1.00 0.00 C ATOM 2145 CE2 TYR A 137 17.049 1.385 -0.456 0.35 0.00 C ATOM 2146 CZ TYR A 137 16.026 2.009 0.226 0.45 0.00 C ATOM 2147 OH TYR A 137 14.770 2.074 -0.332 0.52 0.00 O ATOM 0 H TYR A 137 22.086 1.354 3.114 0.07 0.00 H new ATOM 0 HA TYR A 137 19.365 0.881 3.818 0.46 0.00 H new ATOM 0 HB2 TYR A 137 20.181 2.772 2.424 1.00 0.00 H new ATOM 0 HB3 TYR A 137 20.677 1.643 1.178 1.00 0.00 H new ATOM 0 HD1 TYR A 137 17.696 2.944 2.992 0.59 0.00 H new ATOM 0 HD2 TYR A 137 19.107 0.833 -0.429 0.20 0.00 H new ATOM 0 HE1 TYR A 137 15.452 3.060 1.997 1.00 0.00 H new ATOM 0 HE2 TYR A 137 16.867 0.947 -1.426 0.35 0.00 H new ATOM 0 HH TYR A 137 14.777 1.632 -1.207 0.52 0.00 H new ATOM 2157 N GLU A 138 20.756 -1.137 1.597 1.00 0.00 N ATOM 2158 CA GLU A 138 20.609 -2.430 0.940 0.07 0.00 C ATOM 2159 C GLU A 138 20.414 -3.541 1.966 0.07 0.00 C ATOM 2160 O GLU A 138 19.657 -4.484 1.735 0.33 0.00 O ATOM 2161 CB GLU A 138 21.829 -2.725 0.066 0.38 0.00 C ATOM 2162 CG GLU A 138 23.138 -2.749 0.836 0.15 0.00 C ATOM 2163 CD GLU A 138 24.332 -3.035 -0.052 0.14 0.00 C ATOM 2164 OE1 GLU A 138 24.895 -2.073 -0.616 1.00 0.00 O ATOM 2165 OE2 GLU A 138 24.704 -4.220 -0.185 1.00 0.00 O ATOM 0 H GLU A 138 21.629 -0.654 1.386 1.00 0.00 H new ATOM 0 HA GLU A 138 19.724 -2.390 0.306 0.07 0.00 H new ATOM 0 HB2 GLU A 138 21.689 -3.688 -0.426 0.38 0.00 H new ATOM 0 HB3 GLU A 138 21.893 -1.972 -0.720 0.38 0.00 H new ATOM 0 HG2 GLU A 138 23.281 -1.789 1.332 0.15 0.00 H new ATOM 0 HG3 GLU A 138 23.082 -3.507 1.618 0.15 0.00 H new ATOM 2172 N LYS A 139 21.102 -3.426 3.099 0.20 0.00 N ATOM 2173 CA LYS A 139 20.991 -4.419 4.162 1.00 0.00 C ATOM 2174 C LYS A 139 19.578 -4.437 4.733 0.09 0.00 C ATOM 2175 O LYS A 139 19.084 -5.480 5.163 0.22 0.00 O ATOM 2176 CB LYS A 139 22.001 -4.132 5.276 0.51 0.00 C ATOM 2177 CG LYS A 139 23.421 -4.550 4.933 0.25 0.00 C ATOM 2178 CD LYS A 139 23.554 -6.064 4.855 0.06 0.00 C ATOM 2179 CE LYS A 139 24.971 -6.483 4.504 0.43 0.00 C ATOM 2180 NZ LYS A 139 25.956 -6.008 5.514 0.34 0.00 N ATOM 0 H LYS A 139 21.740 -2.657 3.304 0.20 0.00 H new ATOM 0 HA LYS A 139 21.210 -5.398 3.735 1.00 0.00 H new ATOM 0 HB2 LYS A 139 21.989 -3.065 5.499 0.51 0.00 H new ATOM 0 HB3 LYS A 139 21.687 -4.651 6.182 0.51 0.00 H new ATOM 0 HG2 LYS A 139 23.711 -4.109 3.979 0.25 0.00 H new ATOM 0 HG3 LYS A 139 24.107 -4.162 5.686 0.25 0.00 H new ATOM 0 HD2 LYS A 139 23.270 -6.505 5.811 0.06 0.00 H new ATOM 0 HD3 LYS A 139 22.863 -6.453 4.107 0.06 0.00 H new ATOM 0 HE2 LYS A 139 25.021 -7.569 4.431 0.43 0.00 H new ATOM 0 HE3 LYS A 139 25.235 -6.085 3.524 0.43 0.00 H new ATOM 0 HZ1 LYS A 139 26.865 -6.490 5.366 0.34 0.00 H new ATOM 0 HZ2 LYS A 139 26.088 -4.981 5.414 0.34 0.00 H new ATOM 0 HZ3 LYS A 139 25.603 -6.220 6.469 0.34 0.00 H new ATOM 2194 N ARG A 140 18.933 -3.275 4.733 0.29 0.00 N ATOM 2195 CA ARG A 140 17.573 -3.154 5.247 0.27 0.00 C ATOM 2196 C ARG A 140 16.570 -3.750 4.264 0.94 0.00 C ATOM 2197 O ARG A 140 15.526 -4.266 4.665 0.07 0.00 O ATOM 2198 CB ARG A 140 17.236 -1.686 5.517 0.08 0.00 C ATOM 2199 CG ARG A 140 18.078 -1.059 6.619 0.41 0.00 C ATOM 2200 CD ARG A 140 17.817 -1.716 7.966 1.00 0.00 C ATOM 2201 NE ARG A 140 18.729 -1.233 9.000 1.00 0.00 N ATOM 2202 CZ ARG A 140 18.666 -1.614 10.274 1.00 0.00 C ATOM 2203 NH1 ARG A 140 17.732 -2.469 10.668 0.05 0.00 N ATOM 2204 NH2 ARG A 140 19.537 -1.140 11.154 0.21 0.00 N ATOM 0 H ARG A 140 19.330 -2.403 4.383 0.29 0.00 H new ATOM 0 HA ARG A 140 17.511 -3.709 6.183 0.27 0.00 H new ATOM 0 HB2 ARG A 140 17.373 -1.116 4.598 0.08 0.00 H new ATOM 0 HB3 ARG A 140 16.183 -1.608 5.787 0.08 0.00 H new ATOM 0 HG2 ARG A 140 19.135 -1.151 6.367 0.41 0.00 H new ATOM 0 HG3 ARG A 140 17.858 0.006 6.684 0.41 0.00 H new ATOM 0 HD2 ARG A 140 16.789 -1.521 8.271 1.00 0.00 H new ATOM 0 HD3 ARG A 140 17.921 -2.797 7.868 1.00 0.00 H new ATOM 0 HE ARG A 140 19.454 -0.567 8.731 1.00 0.00 H new ATOM 0 HH11 ARG A 140 17.060 -2.836 9.994 0.05 0.00 H new ATOM 0 HH12 ARG A 140 17.686 -2.759 11.645 0.05 0.00 H new ATOM 0 HH21 ARG A 140 20.257 -0.482 10.855 0.21 0.00 H new ATOM 0 HH22 ARG A 140 19.487 -1.433 12.130 0.21 0.00 H new ATOM 2218 N VAL A 141 16.893 -3.675 2.976 0.06 0.00 N ATOM 2219 CA VAL A 141 16.024 -4.211 1.936 0.31 0.00 C ATOM 2220 C VAL A 141 15.929 -5.730 2.031 1.00 0.00 C ATOM 2221 O VAL A 141 14.846 -6.301 1.913 0.15 0.00 O ATOM 2222 CB VAL A 141 16.526 -3.823 0.531 0.85 0.00 C ATOM 2223 CG1 VAL A 141 15.662 -4.460 -0.548 0.17 0.00 C ATOM 2224 CG2 VAL A 141 16.552 -2.310 0.373 1.00 0.00 C ATOM 0 H VAL A 141 17.751 -3.248 2.628 0.06 0.00 H new ATOM 0 HA VAL A 141 15.036 -3.778 2.092 0.31 0.00 H new ATOM 0 HB VAL A 141 17.543 -4.199 0.417 0.85 0.00 H new ATOM 0 HG11 VAL A 141 16.036 -4.172 -1.531 0.17 0.00 H new ATOM 0 HG12 VAL A 141 15.698 -5.545 -0.450 0.17 0.00 H new ATOM 0 HG13 VAL A 141 14.632 -4.120 -0.437 0.17 0.00 H new ATOM 0 HG21 VAL A 141 16.909 -2.054 -0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 141 15.547 -1.912 0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 141 17.219 -1.878 1.119 1.00 0.00 H new ATOM 2234 N SER A 142 17.068 -6.378 2.245 0.16 0.00 N ATOM 2235 CA SER A 142 17.112 -7.830 2.354 0.79 0.00 C ATOM 2236 C SER A 142 16.478 -8.301 3.660 0.06 0.00 C ATOM 2237 O SER A 142 15.850 -9.357 3.709 0.61 0.00 O ATOM 2238 CB SER A 142 18.556 -8.327 2.268 0.67 0.00 C ATOM 2239 OG SER A 142 19.350 -7.771 3.302 0.23 0.00 O ATOM 0 H SER A 142 17.974 -5.920 2.346 0.16 0.00 H new ATOM 0 HA SER A 142 16.541 -8.246 1.524 0.79 0.00 H new ATOM 0 HB2 SER A 142 18.574 -9.415 2.336 0.67 0.00 H new ATOM 0 HB3 SER A 142 18.978 -8.062 1.299 0.67 0.00 H new ATOM 0 HG SER A 142 18.893 -6.993 3.683 0.23 0.00 H new ATOM 2245 N ALA A 143 16.645 -7.508 4.713 1.00 0.00 N ATOM 2246 CA ALA A 143 16.096 -7.846 6.021 0.59 0.00 C ATOM 2247 C ALA A 143 14.571 -7.902 5.993 0.30 0.00 C ATOM 2248 O ALA A 143 13.972 -8.916 6.352 0.99 0.00 O ATOM 2249 CB ALA A 143 16.564 -6.842 7.064 1.00 0.00 C ATOM 0 H ALA A 143 17.157 -6.626 4.686 1.00 0.00 H new ATOM 0 HA ALA A 143 16.461 -8.838 6.288 0.59 0.00 H new ATOM 0 HB1 ALA A 143 16.147 -7.106 8.036 1.00 0.00 H new ATOM 0 HB2 ALA A 143 17.652 -6.856 7.120 1.00 0.00 H new ATOM 0 HB3 ALA A 143 16.228 -5.843 6.784 1.00 0.00 H new ATOM 2255 N ILE A 144 13.951 -6.806 5.568 1.00 0.00 N ATOM 2256 CA ILE A 144 12.495 -6.723 5.505 0.16 0.00 C ATOM 2257 C ILE A 144 11.904 -7.805 4.603 0.07 0.00 C ATOM 2258 O ILE A 144 10.800 -8.291 4.848 1.00 0.00 O ATOM 2259 CB ILE A 144 12.034 -5.340 5.005 0.37 0.00 C ATOM 2260 CG1 ILE A 144 12.573 -5.073 3.596 1.00 0.00 C ATOM 2261 CG2 ILE A 144 12.488 -4.253 5.968 1.00 0.00 C ATOM 2262 CD1 ILE A 144 12.090 -3.770 2.995 1.00 0.00 C ATOM 0 H ILE A 144 14.434 -5.962 5.262 1.00 0.00 H new ATOM 0 HA ILE A 144 12.132 -6.877 6.521 0.16 0.00 H new ATOM 0 HB ILE A 144 10.945 -5.330 4.962 0.37 0.00 H new ATOM 0 HG12 ILE A 144 13.662 -5.066 3.629 1.00 0.00 H new ATOM 0 HG13 ILE A 144 12.279 -5.895 2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 144 12.156 -3.281 5.603 1.00 0.00 H new ATOM 0 HG22 ILE A 144 12.058 -4.437 6.953 1.00 0.00 H new ATOM 0 HG23 ILE A 144 13.576 -4.261 6.039 1.00 0.00 H new ATOM 0 HD11 ILE A 144 12.513 -3.650 1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 144 11.002 -3.781 2.929 1.00 0.00 H new ATOM 0 HD13 ILE A 144 12.407 -2.939 3.625 1.00 0.00 H new ATOM 2274 N VAL A 145 12.642 -8.179 3.562 0.45 0.00 N ATOM 2275 CA VAL A 145 12.179 -9.200 2.629 0.07 0.00 C ATOM 2276 C VAL A 145 12.274 -10.596 3.240 0.65 0.00 C ATOM 2277 O VAL A 145 11.362 -11.410 3.088 1.00 0.00 O ATOM 2278 CB VAL A 145 12.980 -9.160 1.309 0.30 0.00 C ATOM 2279 CG1 VAL A 145 12.695 -10.392 0.463 0.39 0.00 C ATOM 2280 CG2 VAL A 145 12.657 -7.894 0.531 0.32 0.00 C ATOM 0 H VAL A 145 13.560 -7.792 3.344 0.45 0.00 H new ATOM 0 HA VAL A 145 11.133 -8.981 2.413 0.07 0.00 H new ATOM 0 HB VAL A 145 14.042 -9.156 1.555 0.30 0.00 H new ATOM 0 HG11 VAL A 145 13.271 -10.340 -0.461 0.39 0.00 H new ATOM 0 HG12 VAL A 145 12.978 -11.287 1.017 0.39 0.00 H new ATOM 0 HG13 VAL A 145 11.632 -10.433 0.226 0.39 0.00 H new ATOM 0 HG21 VAL A 145 13.229 -7.881 -0.396 0.32 0.00 H new ATOM 0 HG22 VAL A 145 11.592 -7.870 0.300 0.32 0.00 H new ATOM 0 HG23 VAL A 145 12.918 -7.022 1.131 0.32 0.00 H new ATOM 2290 N GLU A 146 13.374 -10.868 3.933 0.18 0.00 N ATOM 2291 CA GLU A 146 13.577 -12.172 4.559 0.96 0.00 C ATOM 2292 C GLU A 146 12.584 -12.398 5.695 0.14 0.00 C ATOM 2293 O GLU A 146 12.136 -13.523 5.923 0.29 0.00 O ATOM 2294 CB GLU A 146 15.009 -12.298 5.083 1.00 0.00 C ATOM 2295 CG GLU A 146 16.051 -12.416 3.983 1.00 0.00 C ATOM 2296 CD GLU A 146 15.838 -13.635 3.106 0.06 0.00 C ATOM 2297 OE1 GLU A 146 16.323 -14.725 3.477 0.71 0.00 O ATOM 2298 OE2 GLU A 146 15.188 -13.500 2.049 1.00 0.00 O ATOM 0 H GLU A 146 14.137 -10.207 4.076 0.18 0.00 H new ATOM 0 HA GLU A 146 13.409 -12.936 3.800 0.96 0.00 H new ATOM 0 HB2 GLU A 146 15.240 -11.429 5.699 1.00 0.00 H new ATOM 0 HB3 GLU A 146 15.075 -13.173 5.730 1.00 0.00 H new ATOM 0 HG2 GLU A 146 16.024 -11.519 3.364 1.00 0.00 H new ATOM 0 HG3 GLU A 146 17.043 -12.464 4.431 1.00 0.00 H new ATOM 2305 N GLN A 147 12.243 -11.327 6.404 0.13 0.00 N ATOM 2306 CA GLN A 147 11.303 -11.418 7.515 0.11 0.00 C ATOM 2307 C GLN A 147 9.894 -11.722 7.013 0.48 0.00 C ATOM 2308 O GLN A 147 9.101 -12.357 7.707 0.43 0.00 O ATOM 2309 CB GLN A 147 11.299 -10.117 8.319 0.12 0.00 C ATOM 2310 CG GLN A 147 12.613 -9.836 9.028 1.00 0.00 C ATOM 2311 CD GLN A 147 12.617 -8.496 9.736 1.00 0.00 C ATOM 2312 OE1 GLN A 147 11.950 -7.553 9.309 1.00 0.00 O ATOM 2313 NE2 GLN A 147 13.370 -8.404 10.825 1.00 0.00 N ATOM 0 H GLN A 147 12.602 -10.388 6.230 0.13 0.00 H new ATOM 0 HA GLN A 147 11.625 -12.235 8.161 0.11 0.00 H new ATOM 0 HB2 GLN A 147 11.072 -9.287 7.650 0.12 0.00 H new ATOM 0 HB3 GLN A 147 10.499 -10.159 9.058 0.12 0.00 H new ATOM 0 HG2 GLN A 147 12.807 -10.627 9.753 1.00 0.00 H new ATOM 0 HG3 GLN A 147 13.426 -9.862 8.303 1.00 0.00 H new ATOM 0 HE21 GLN A 147 13.907 -9.211 11.144 1.00 0.00 H new ATOM 0 HE22 GLN A 147 13.412 -7.527 11.343 1.00 0.00 H new ATOM 2322 N SER A 148 9.592 -11.259 5.803 1.00 0.00 N ATOM 2323 CA SER A 148 8.281 -11.480 5.204 0.76 0.00 C ATOM 2324 C SER A 148 8.349 -12.563 4.133 0.11 0.00 C ATOM 2325 O SER A 148 7.405 -12.754 3.366 0.09 0.00 O ATOM 2326 CB SER A 148 7.752 -10.178 4.596 0.15 0.00 C ATOM 2327 OG SER A 148 6.440 -10.345 4.089 0.38 0.00 O ATOM 0 H SER A 148 10.238 -10.728 5.219 1.00 0.00 H new ATOM 0 HA SER A 148 7.600 -11.812 5.988 0.76 0.00 H new ATOM 0 HB2 SER A 148 7.755 -9.393 5.352 0.15 0.00 H new ATOM 0 HB3 SER A 148 8.415 -9.852 3.795 0.15 0.00 H new ATOM 0 HG SER A 148 6.354 -11.237 3.692 0.38 0.00 H new ATOM 2333 N TRP A 149 9.474 -13.273 4.088 1.00 0.00 N ATOM 2334 CA TRP A 149 9.669 -14.335 3.106 0.20 0.00 C ATOM 2335 C TRP A 149 8.979 -15.620 3.552 0.06 0.00 C ATOM 2336 O TRP A 149 9.375 -16.238 4.540 0.06 0.00 O ATOM 2337 CB TRP A 149 11.162 -14.592 2.890 0.17 0.00 C ATOM 2338 CG TRP A 149 11.503 -14.952 1.475 1.00 0.00 C ATOM 2339 CD1 TRP A 149 11.661 -14.090 0.429 0.10 0.00 C ATOM 2340 CD2 TRP A 149 11.727 -16.265 0.951 1.00 0.00 C ATOM 2341 NE1 TRP A 149 11.968 -14.787 -0.714 1.00 0.00 N ATOM 2342 CE2 TRP A 149 12.014 -16.123 -0.420 0.25 0.00 C ATOM 2343 CE3 TRP A 149 11.713 -17.547 1.506 1.00 0.00 C ATOM 2344 CZ2 TRP A 149 12.285 -17.214 -1.243 0.28 0.00 C ATOM 2345 CZ3 TRP A 149 11.981 -18.629 0.688 0.17 0.00 C ATOM 2346 CH2 TRP A 149 12.264 -18.457 -0.672 0.54 0.00 C ATOM 0 H TRP A 149 10.263 -13.132 4.719 1.00 0.00 H new ATOM 0 HA TRP A 149 9.224 -14.012 2.165 0.20 0.00 H new ATOM 0 HB2 TRP A 149 11.722 -13.702 3.176 0.17 0.00 H new ATOM 0 HB3 TRP A 149 11.484 -15.397 3.550 0.17 0.00 H new ATOM 0 HD1 TRP A 149 11.559 -13.017 0.491 0.10 0.00 H new ATOM 0 HE1 TRP A 149 12.135 -14.376 -1.632 1.00 0.00 H new ATOM 0 HE3 TRP A 149 11.497 -17.690 2.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 12.503 -17.083 -2.293 0.28 0.00 H new ATOM 0 HZ3 TRP A 149 11.972 -19.625 1.106 0.17 0.00 H new ATOM 0 HH2 TRP A 149 12.470 -19.323 -1.283 0.54 0.00 H new ATOM 2357 N ASN A 150 7.947 -16.016 2.813 0.34 0.00 N ATOM 2358 CA ASN A 150 7.198 -17.227 3.129 1.00 0.00 C ATOM 2359 C ASN A 150 8.093 -18.460 3.047 0.56 0.00 C ATOM 2360 O ASN A 150 8.915 -18.580 2.139 0.62 0.00 O ATOM 2361 CB ASN A 150 6.011 -17.380 2.175 1.00 0.00 C ATOM 2362 CG ASN A 150 6.448 -17.492 0.727 0.59 0.00 C ATOM 2363 OD1 ASN A 150 6.581 -16.488 0.028 0.70 0.00 O ATOM 2364 ND2 ASN A 150 6.675 -18.719 0.271 0.15 0.00 N ATOM 0 H ASN A 150 7.610 -15.515 1.991 0.34 0.00 H new ATOM 0 HA ASN A 150 6.827 -17.138 4.150 1.00 0.00 H new ATOM 0 HB2 ASN A 150 5.439 -18.266 2.449 1.00 0.00 H new ATOM 0 HB3 ASN A 150 5.345 -16.524 2.286 1.00 0.00 H new ATOM 0 HD21 ASN A 150 6.972 -18.857 -0.695 0.15 0.00 H new ATOM 0 HD22 ASN A 150 6.552 -19.523 0.887 0.15 0.00 H new ATOM 2371 N ASP A 151 7.922 -19.372 4.003 1.00 0.00 N ATOM 2372 CA ASP A 151 8.712 -20.599 4.050 0.17 0.00 C ATOM 2373 C ASP A 151 10.203 -20.286 4.147 0.07 0.00 C ATOM 2374 O ASP A 151 10.874 -20.096 3.134 0.08 0.00 O ATOM 2375 CB ASP A 151 8.437 -21.462 2.815 0.25 0.00 C ATOM 2376 CG ASP A 151 9.242 -22.746 2.816 1.00 0.00 C ATOM 2377 OD1 ASP A 151 8.767 -23.743 3.400 0.11 0.00 O ATOM 2378 OD2 ASP A 151 10.348 -22.756 2.237 1.00 0.00 O ATOM 0 H ASP A 151 7.241 -19.283 4.757 1.00 0.00 H new ATOM 0 HA ASP A 151 8.418 -21.153 4.941 0.17 0.00 H new ATOM 0 HB2 ASP A 151 7.375 -21.703 2.773 0.25 0.00 H new ATOM 0 HB3 ASP A 151 8.671 -20.891 1.917 0.25 0.00 H new ATOM 2383 N SER A 152 10.712 -20.233 5.374 0.23 0.00 N ATOM 2384 CA SER A 152 12.123 -19.943 5.604 0.12 0.00 C ATOM 2385 C SER A 152 12.966 -21.209 5.483 0.07 0.00 C ATOM 2386 O SER A 152 13.477 -21.473 4.373 0.72 0.00 O ATOM 2387 CB SER A 152 12.317 -19.313 6.985 0.69 0.00 C ATOM 2388 OG SER A 152 11.795 -20.146 8.006 0.28 0.00 O ATOM 2389 OXT SER A 152 13.111 -21.925 6.496 0.05 0.00 O ATOM 0 H SER A 152 10.169 -20.387 6.224 0.23 0.00 H new ATOM 0 HA SER A 152 12.453 -19.237 4.842 0.12 0.00 H new ATOM 0 HB2 SER A 152 13.378 -19.138 7.162 0.69 0.00 H new ATOM 0 HB3 SER A 152 11.824 -18.341 7.017 0.69 0.00 H new ATOM 0 HG SER A 152 12.094 -21.068 7.861 0.28 0.00 H new TER 2395 SER A 152