USER MOD reduce.3.24.130724 H: found=0, std=0, add=1124, rem=0, adj=60 USER MOD reduce.3.24.130724 removed 1124 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 63 ASN : amide:sc= 1.4 K(o=2.2,f=0.63) USER MOD Set 1.2: A 155 TYR OH : rot 30:sc= 0.765 USER MOD Set 2.1: A 112 ASN : amide:sc= 0.767 K(o=4.7,f=-12!) USER MOD Set 2.2: A 147 THR OG1 : rot 43:sc= 1.04 USER MOD Set 2.3: A 150 THR OG1 : rot 180:sc= 0.778 USER MOD Set 2.4: A 152 LYS NZ :NH3+ 151:sc= 2.11 (180deg=0.27) USER MOD Set 3.1: A 105 SER OG : rot -100:sc= -0.0112 USER MOD Set 3.2: A 157 MET CE :methyl 145:sc= -0.191 (180deg=-2.28!) USER MOD Set 4.1: A 76 ASN : amide:sc= 1.7 K(o=3,f=-5.2!) USER MOD Set 4.2: A 78 THR OG1 : rot -85:sc= 1.26 USER MOD Set 5.1: A 62 THR OG1 : rot -119:sc= -2.5 USER MOD Set 5.2: A 70 ASN : amide:sc= -1.76! C(o=-3!,f=-2.9!) USER MOD Set 5.3: A 85 THR OG1 : rot -106:sc= 1.27 USER MOD Set 6.1: A 52 ASN : amide:sc= -1.6! C(o=-0.42!,f=-12!) USER MOD Set 6.2: A 60 LYS NZ :NH3+ 142:sc= 1.18 (180deg=-1.42!) USER MOD Set 7.1: A 53 TYR OH : rot -0:sc= 1.01 USER MOD Set 7.2: A 83 TYR OH : rot 15:sc= 0.866 USER MOD Set 8.1: A 26 ASN : amide:sc= 0.112 X(o=-0.05,f=0.29) USER MOD Set 8.2: A 35 TYR OH : rot -120:sc= -0.162 USER MOD Set 9.1: A 22 THR OG1 : rot 160:sc= 1.21 USER MOD Set 9.2: A 82 TYR OH : rot 180:sc= -0.802 USER MOD Single : A 1 MET CE :methyl -160:sc= -0.0814 (180deg=-0.597) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.0325 (180deg=-0.0811) USER MOD Single : A 3 GLN : amide:sc= -0.847 K(o=-0.85,f=-1.4) USER MOD Single : A 4 SER OG : rot 57:sc= 1.17 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 49:sc= 1.01 USER MOD Single : A 9 ASN :FLIP amide:sc= -0.0334 F(o=-1.2,f=-0.033) USER MOD Single : A 10 LYS NZ :NH3+ 164:sc= -0.0299 (180deg=-0.239) USER MOD Single : A 11 SER OG : rot -118:sc= 0.117 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 13 ASN : amide:sc= 0.455 X(o=0.46,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 136:sc= -0.253 (180deg=-1.35) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 38:sc= -2.07! USER MOD Single : A 32 GLN : amide:sc= -0.205 K(o=-0.21,f=-0.98) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0175 USER MOD Single : A 34 SER OG : rot -51:sc= 0.242 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -40:sc= 0.491 USER MOD Single : A 54 LYS NZ :NH3+ -169:sc= 0.398 (180deg=0.148) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0289 USER MOD Single : A 57 THR OG1 : rot 89:sc= 0.826 USER MOD Single : A 58 ASN : amide:sc= -1.11 K(o=-1.1,f=-1.9) USER MOD Single : A 59 LYS NZ :NH3+ -166:sc= -0.069 (180deg=-0.306) USER MOD Single : A 75 ASN : amide:sc= -0.0706 K(o=-0.071,f=-6.7!) USER MOD Single : A 77 ASN : amide:sc= -0.0173 X(o=-0.017,f=-0.017) USER MOD Single : A 87 THR OG1 : rot 70:sc= -0.397 USER MOD Single : A 91 LYS NZ :NH3+ -169:sc=-0.00279 (180deg=-0.126) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -73:sc= -0.321! USER MOD Single : A 101 ASN : amide:sc= -3.69! C(o=-3.7!,f=-3.6!) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 173:sc= 1.31 (180deg=1.26) USER MOD Single : A 109 TYR OH : rot -30:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -0.0397 X(o=-0.04,f=-0.072) USER MOD Single : A 118 ASN :FLIP amide:sc= -0.0108 F(o=-1.2!,f=-0.011) USER MOD Single : A 120 THR OG1 : rot -160:sc= 0.0311 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.0588 X(o=-0.059,f=-0.048) USER MOD Single : A 125 SER OG : rot 180:sc= -0.149 USER MOD Single : A 128 GLN :FLIP amide:sc= -0.316 F(o=-2!,f=-0.32) USER MOD Single : A 131 LYS NZ :NH3+ -158:sc= -4.98! (180deg=-6.63!) USER MOD Single : A 132 SER OG : rot -19:sc= 0.605 USER MOD Single : A 133 THR OG1 : rot 158:sc= 1.66 USER MOD Single : A 136 THR OG1 : rot -118:sc= -4.32! USER MOD Single : A 142 THR OG1 : rot 106:sc= 1.27 USER MOD Single : A 145 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 149 SER OG : rot 24:sc= 0.87 USER MOD Single : A 151 ASN : amide:sc= 0.231 K(o=0.23,f=-0.99) USER MOD Single : A 154 THR OG1 : rot 26:sc= 0.451 USER MOD Single : A 158 LYS NZ :NH3+ 143:sc= 1.18 (180deg=0.49) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -26.472 -8.545 -2.605 1.00 7.47 N ATOM 2 CA MET A 1 -25.092 -8.131 -2.264 1.00 7.05 C ATOM 3 C MET A 1 -25.059 -7.498 -0.879 1.00 6.18 C ATOM 4 O MET A 1 -26.030 -6.876 -0.447 1.00 6.26 O ATOM 5 CB MET A 1 -24.550 -7.146 -3.307 1.00 7.58 C ATOM 6 CG MET A 1 -25.348 -5.855 -3.408 1.00 8.43 C ATOM 7 SD MET A 1 -24.684 -4.717 -4.643 1.00 9.37 S ATOM 8 CE MET A 1 -23.073 -4.359 -3.947 1.00 9.99 C ATOM 0 H1 MET A 1 -26.633 -8.410 -3.624 1.00 7.47 H new ATOM 0 H2 MET A 1 -26.603 -9.548 -2.364 1.00 7.47 H new ATOM 0 H3 MET A 1 -27.150 -7.968 -2.068 1.00 7.47 H new ATOM 0 HA MET A 1 -24.458 -9.017 -2.263 1.00 7.05 H new ATOM 0 HB2 MET A 1 -23.516 -6.904 -3.061 1.00 7.58 H new ATOM 0 HB3 MET A 1 -24.540 -7.633 -4.282 1.00 7.58 H new ATOM 0 HG2 MET A 1 -26.383 -6.091 -3.657 1.00 8.43 H new ATOM 0 HG3 MET A 1 -25.359 -5.363 -2.436 1.00 8.43 H new ATOM 0 HE1 MET A 1 -22.690 -3.433 -4.375 1.00 9.99 H new ATOM 0 HE2 MET A 1 -23.160 -4.251 -2.866 1.00 9.99 H new ATOM 0 HE3 MET A 1 -22.388 -5.175 -4.176 1.00 9.99 H new ATOM 20 N GLU A 2 -23.945 -7.673 -0.182 1.00 5.66 N ATOM 21 CA GLU A 2 -23.789 -7.120 1.151 1.00 5.12 C ATOM 22 C GLU A 2 -22.313 -6.912 1.491 1.00 4.18 C ATOM 23 O GLU A 2 -21.500 -7.829 1.363 1.00 4.52 O ATOM 24 CB GLU A 2 -24.470 -8.034 2.181 1.00 5.99 C ATOM 25 CG GLU A 2 -24.059 -9.496 2.079 1.00 6.56 C ATOM 26 CD GLU A 2 -24.948 -10.408 2.896 1.00 7.11 C ATOM 27 OE1 GLU A 2 -24.669 -10.601 4.095 1.00 7.34 O ATOM 28 OE2 GLU A 2 -25.933 -10.940 2.341 1.00 7.54 O ATOM 0 H GLU A 2 -23.136 -8.195 -0.520 1.00 5.66 H new ATOM 0 HA GLU A 2 -24.271 -6.143 1.181 1.00 5.12 H new ATOM 0 HB2 GLU A 2 -24.239 -7.671 3.182 1.00 5.99 H new ATOM 0 HB3 GLU A 2 -25.551 -7.962 2.057 1.00 5.99 H new ATOM 0 HG2 GLU A 2 -24.089 -9.806 1.034 1.00 6.56 H new ATOM 0 HG3 GLU A 2 -23.028 -9.604 2.414 1.00 6.56 H new ATOM 35 N GLN A 3 -21.985 -5.682 1.886 1.00 3.35 N ATOM 36 CA GLN A 3 -20.640 -5.308 2.337 1.00 2.68 C ATOM 37 C GLN A 3 -19.639 -5.266 1.183 1.00 1.97 C ATOM 38 O GLN A 3 -19.406 -4.210 0.594 1.00 2.24 O ATOM 39 CB GLN A 3 -20.130 -6.235 3.456 1.00 2.90 C ATOM 40 CG GLN A 3 -20.766 -5.986 4.821 1.00 3.57 C ATOM 41 CD GLN A 3 -22.267 -6.210 4.830 1.00 4.03 C ATOM 42 OE1 GLN A 3 -22.734 -7.325 5.039 1.00 4.48 O ATOM 43 NE2 GLN A 3 -23.031 -5.147 4.629 1.00 4.40 N ATOM 0 H GLN A 3 -22.650 -4.909 1.903 1.00 3.35 H new ATOM 0 HA GLN A 3 -20.724 -4.301 2.745 1.00 2.68 H new ATOM 0 HB2 GLN A 3 -20.314 -7.269 3.166 1.00 2.90 H new ATOM 0 HB3 GLN A 3 -19.050 -6.117 3.545 1.00 2.90 H new ATOM 0 HG2 GLN A 3 -20.302 -6.644 5.556 1.00 3.57 H new ATOM 0 HG3 GLN A 3 -20.556 -4.963 5.132 1.00 3.57 H new ATOM 0 HE21 GLN A 3 -22.604 -4.237 4.458 1.00 4.40 H new ATOM 0 HE22 GLN A 3 -24.047 -5.239 4.645 1.00 4.40 H new ATOM 52 N SER A 4 -19.048 -6.401 0.862 1.00 1.43 N ATOM 53 CA SER A 4 -18.071 -6.475 -0.209 1.00 0.82 C ATOM 54 C SER A 4 -18.455 -7.585 -1.185 1.00 0.93 C ATOM 55 O SER A 4 -19.101 -8.559 -0.797 1.00 1.64 O ATOM 56 CB SER A 4 -16.671 -6.704 0.383 1.00 0.60 C ATOM 57 OG SER A 4 -16.660 -7.832 1.241 1.00 1.23 O ATOM 0 H SER A 4 -19.228 -7.289 1.330 1.00 1.43 H new ATOM 0 HA SER A 4 -18.055 -5.535 -0.760 1.00 0.82 H new ATOM 0 HB2 SER A 4 -15.951 -6.848 -0.422 1.00 0.60 H new ATOM 0 HB3 SER A 4 -16.357 -5.819 0.936 1.00 0.60 H new ATOM 0 HG SER A 4 -16.964 -8.622 0.747 1.00 1.23 H new ATOM 63 N ALA A 5 -18.087 -7.426 -2.450 1.00 1.31 N ATOM 64 CA ALA A 5 -18.449 -8.402 -3.471 1.00 1.41 C ATOM 65 C ALA A 5 -17.223 -9.127 -4.012 1.00 1.33 C ATOM 66 O ALA A 5 -17.172 -10.356 -4.032 1.00 1.96 O ATOM 67 CB ALA A 5 -19.209 -7.723 -4.602 1.00 1.72 C ATOM 0 H ALA A 5 -17.541 -6.635 -2.793 1.00 1.31 H new ATOM 0 HA ALA A 5 -19.095 -9.148 -3.007 1.00 1.41 H new ATOM 0 HB1 ALA A 5 -19.474 -8.462 -5.358 1.00 1.72 H new ATOM 0 HB2 ALA A 5 -20.117 -7.266 -4.208 1.00 1.72 H new ATOM 0 HB3 ALA A 5 -18.581 -6.953 -5.051 1.00 1.72 H new ATOM 73 N SER A 6 -16.224 -8.364 -4.434 1.00 1.05 N ATOM 74 CA SER A 6 -15.025 -8.940 -5.034 1.00 0.98 C ATOM 75 C SER A 6 -14.044 -9.437 -3.974 1.00 0.84 C ATOM 76 O SER A 6 -12.917 -9.815 -4.295 1.00 0.79 O ATOM 77 CB SER A 6 -14.339 -7.903 -5.919 1.00 1.17 C ATOM 78 OG SER A 6 -15.234 -7.392 -6.894 1.00 1.25 O ATOM 0 H SER A 6 -16.218 -7.346 -4.373 1.00 1.05 H new ATOM 0 HA SER A 6 -15.334 -9.796 -5.634 1.00 0.98 H new ATOM 0 HB2 SER A 6 -13.962 -7.086 -5.303 1.00 1.17 H new ATOM 0 HB3 SER A 6 -13.478 -8.354 -6.412 1.00 1.17 H new ATOM 0 HG SER A 6 -14.771 -6.728 -7.447 1.00 1.25 H new ATOM 84 N ASP A 7 -14.485 -9.463 -2.722 1.00 0.83 N ATOM 85 CA ASP A 7 -13.619 -9.840 -1.608 1.00 0.77 C ATOM 86 C ASP A 7 -13.185 -11.295 -1.715 1.00 0.72 C ATOM 87 O ASP A 7 -12.141 -11.676 -1.196 1.00 0.82 O ATOM 88 CB ASP A 7 -14.326 -9.614 -0.271 1.00 0.85 C ATOM 89 CG ASP A 7 -15.542 -10.505 -0.098 1.00 0.92 C ATOM 90 OD1 ASP A 7 -15.379 -11.694 0.244 1.00 1.18 O ATOM 91 OD2 ASP A 7 -16.667 -10.018 -0.320 1.00 1.36 O ATOM 0 H ASP A 7 -15.440 -9.227 -2.451 1.00 0.83 H new ATOM 0 HA ASP A 7 -12.733 -9.207 -1.655 1.00 0.77 H new ATOM 0 HB2 ASP A 7 -13.625 -9.800 0.543 1.00 0.85 H new ATOM 0 HB3 ASP A 7 -14.631 -8.570 -0.197 1.00 0.85 H new ATOM 96 N SER A 8 -13.997 -12.104 -2.379 1.00 0.69 N ATOM 97 CA SER A 8 -13.676 -13.506 -2.576 1.00 0.75 C ATOM 98 C SER A 8 -13.205 -13.757 -4.007 1.00 0.78 C ATOM 99 O SER A 8 -12.559 -14.764 -4.295 1.00 1.03 O ATOM 100 CB SER A 8 -14.903 -14.365 -2.267 1.00 0.89 C ATOM 101 OG SER A 8 -15.395 -14.110 -0.956 1.00 1.49 O ATOM 0 H SER A 8 -14.883 -11.811 -2.790 1.00 0.69 H new ATOM 0 HA SER A 8 -12.867 -13.777 -1.898 1.00 0.75 H new ATOM 0 HB2 SER A 8 -15.686 -14.161 -2.998 1.00 0.89 H new ATOM 0 HB3 SER A 8 -14.645 -15.420 -2.362 1.00 0.89 H new ATOM 0 HG SER A 8 -15.473 -13.143 -0.818 1.00 1.49 H new ATOM 107 N ASN A 9 -13.532 -12.832 -4.901 1.00 0.73 N ATOM 108 CA ASN A 9 -13.208 -12.982 -6.315 1.00 0.82 C ATOM 109 C ASN A 9 -11.822 -12.430 -6.635 1.00 0.77 C ATOM 110 O ASN A 9 -10.947 -13.155 -7.115 1.00 0.86 O ATOM 111 CB ASN A 9 -14.260 -12.285 -7.185 1.00 0.94 C ATOM 112 CG ASN A 9 -15.631 -12.938 -7.099 1.00 1.48 C ATOM 113 OD1 ASN A 9 -15.661 -14.250 -6.913 1.00 2.27 O flip ATOM 114 ND2 ASN A 9 -16.656 -12.266 -7.213 1.00 2.04 N flip ATOM 0 H ASN A 9 -14.023 -11.968 -4.671 1.00 0.73 H new ATOM 0 HA ASN A 9 -13.208 -14.049 -6.538 1.00 0.82 H new ATOM 0 HB2 ASN A 9 -14.341 -11.241 -6.881 1.00 0.94 H new ATOM 0 HB3 ASN A 9 -13.926 -12.290 -8.223 1.00 0.94 H new ATOM 0 HD21 ASN A 9 -16.592 -11.258 -7.355 1.00 2.04 H new ATOM 0 HD22 ASN A 9 -17.570 -12.717 -7.165 1.00 2.04 H new ATOM 121 N LYS A 10 -11.615 -11.151 -6.350 1.00 0.72 N ATOM 122 CA LYS A 10 -10.378 -10.476 -6.729 1.00 0.75 C ATOM 123 C LYS A 10 -9.226 -10.896 -5.825 1.00 0.70 C ATOM 124 O LYS A 10 -8.062 -10.823 -6.219 1.00 0.76 O ATOM 125 CB LYS A 10 -10.554 -8.955 -6.675 1.00 0.83 C ATOM 126 CG LYS A 10 -9.376 -8.201 -7.266 1.00 0.99 C ATOM 127 CD LYS A 10 -9.539 -6.698 -7.144 1.00 1.03 C ATOM 128 CE LYS A 10 -8.433 -5.970 -7.890 1.00 1.11 C ATOM 129 NZ LYS A 10 -8.559 -6.137 -9.362 1.00 1.56 N ATOM 0 H LYS A 10 -12.286 -10.560 -5.859 1.00 0.72 H new ATOM 0 HA LYS A 10 -10.140 -10.769 -7.752 1.00 0.75 H new ATOM 0 HB2 LYS A 10 -11.461 -8.680 -7.213 1.00 0.83 H new ATOM 0 HB3 LYS A 10 -10.693 -8.647 -5.639 1.00 0.83 H new ATOM 0 HG2 LYS A 10 -8.460 -8.508 -6.761 1.00 0.99 H new ATOM 0 HG3 LYS A 10 -9.266 -8.469 -8.317 1.00 0.99 H new ATOM 0 HD2 LYS A 10 -10.509 -6.400 -7.542 1.00 1.03 H new ATOM 0 HD3 LYS A 10 -9.524 -6.411 -6.093 1.00 1.03 H new ATOM 0 HE2 LYS A 10 -8.463 -4.909 -7.640 1.00 1.11 H new ATOM 0 HE3 LYS A 10 -7.464 -6.347 -7.563 1.00 1.11 H new ATOM 0 HZ1 LYS A 10 -7.972 -5.426 -9.844 1.00 1.56 H new ATOM 0 HZ2 LYS A 10 -8.240 -7.089 -9.632 1.00 1.56 H new ATOM 0 HZ3 LYS A 10 -9.553 -6.012 -9.642 1.00 1.56 H new ATOM 143 N SER A 11 -9.561 -11.343 -4.623 1.00 0.65 N ATOM 144 CA SER A 11 -8.565 -11.742 -3.639 1.00 0.64 C ATOM 145 C SER A 11 -7.637 -12.817 -4.198 1.00 0.66 C ATOM 146 O SER A 11 -6.421 -12.638 -4.247 1.00 0.67 O ATOM 147 CB SER A 11 -9.279 -12.252 -2.388 1.00 0.67 C ATOM 148 OG SER A 11 -10.240 -13.238 -2.731 1.00 1.52 O ATOM 0 H SER A 11 -10.525 -11.439 -4.304 1.00 0.65 H new ATOM 0 HA SER A 11 -7.951 -10.878 -3.386 1.00 0.64 H new ATOM 0 HB2 SER A 11 -8.552 -12.671 -1.693 1.00 0.67 H new ATOM 0 HB3 SER A 11 -9.767 -11.422 -1.877 1.00 0.67 H new ATOM 0 HG SER A 11 -11.133 -12.929 -2.471 1.00 1.52 H new ATOM 154 N GLN A 12 -8.232 -13.917 -4.648 1.00 0.72 N ATOM 155 CA GLN A 12 -7.486 -15.048 -5.195 1.00 0.81 C ATOM 156 C GLN A 12 -6.556 -14.597 -6.318 1.00 0.79 C ATOM 157 O GLN A 12 -5.423 -15.065 -6.434 1.00 0.85 O ATOM 158 CB GLN A 12 -8.459 -16.103 -5.720 1.00 0.95 C ATOM 159 CG GLN A 12 -9.496 -16.531 -4.695 1.00 1.19 C ATOM 160 CD GLN A 12 -10.573 -17.416 -5.287 1.00 1.74 C ATOM 161 OE1 GLN A 12 -10.903 -17.310 -6.469 1.00 2.34 O ATOM 162 NE2 GLN A 12 -11.135 -18.291 -4.472 1.00 2.40 N ATOM 0 H GLN A 12 -9.243 -14.051 -4.644 1.00 0.72 H new ATOM 0 HA GLN A 12 -6.878 -15.477 -4.398 1.00 0.81 H new ATOM 0 HB2 GLN A 12 -8.969 -15.710 -6.600 1.00 0.95 H new ATOM 0 HB3 GLN A 12 -7.895 -16.978 -6.043 1.00 0.95 H new ATOM 0 HG2 GLN A 12 -9.000 -17.063 -3.883 1.00 1.19 H new ATOM 0 HG3 GLN A 12 -9.958 -15.645 -4.260 1.00 1.19 H new ATOM 0 HE21 GLN A 12 -10.834 -18.348 -3.499 1.00 2.40 H new ATOM 0 HE22 GLN A 12 -11.870 -18.909 -4.816 1.00 2.40 H new ATOM 171 N ASN A 13 -7.039 -13.666 -7.126 1.00 0.77 N ATOM 172 CA ASN A 13 -6.272 -13.153 -8.252 1.00 0.81 C ATOM 173 C ASN A 13 -5.131 -12.258 -7.780 1.00 0.73 C ATOM 174 O ASN A 13 -3.965 -12.506 -8.096 1.00 0.76 O ATOM 175 CB ASN A 13 -7.176 -12.376 -9.212 1.00 0.95 C ATOM 176 CG ASN A 13 -8.104 -13.275 -10.005 1.00 1.41 C ATOM 177 OD1 ASN A 13 -7.754 -13.736 -11.091 1.00 2.14 O ATOM 178 ND2 ASN A 13 -9.291 -13.530 -9.480 1.00 1.63 N ATOM 0 H ASN A 13 -7.964 -13.248 -7.022 1.00 0.77 H new ATOM 0 HA ASN A 13 -5.846 -14.008 -8.777 1.00 0.81 H new ATOM 0 HB2 ASN A 13 -7.770 -11.659 -8.644 1.00 0.95 H new ATOM 0 HB3 ASN A 13 -6.557 -11.802 -9.902 1.00 0.95 H new ATOM 0 HD21 ASN A 13 -9.951 -14.127 -9.978 1.00 1.63 H new ATOM 0 HD22 ASN A 13 -9.546 -13.130 -8.577 1.00 1.63 H new ATOM 185 N ALA A 14 -5.471 -11.232 -7.008 1.00 0.69 N ATOM 186 CA ALA A 14 -4.500 -10.232 -6.573 1.00 0.66 C ATOM 187 C ALA A 14 -3.423 -10.835 -5.680 1.00 0.59 C ATOM 188 O ALA A 14 -2.248 -10.484 -5.788 1.00 0.61 O ATOM 189 CB ALA A 14 -5.206 -9.094 -5.850 1.00 0.68 C ATOM 0 H ALA A 14 -6.419 -11.070 -6.668 1.00 0.69 H new ATOM 0 HA ALA A 14 -4.007 -9.843 -7.464 1.00 0.66 H new ATOM 0 HB1 ALA A 14 -4.471 -8.355 -5.530 1.00 0.68 H new ATOM 0 HB2 ALA A 14 -5.924 -8.625 -6.523 1.00 0.68 H new ATOM 0 HB3 ALA A 14 -5.729 -9.486 -4.978 1.00 0.68 H new ATOM 195 N ILE A 15 -3.823 -11.745 -4.801 1.00 0.59 N ATOM 196 CA ILE A 15 -2.881 -12.389 -3.892 1.00 0.60 C ATOM 197 C ILE A 15 -1.845 -13.192 -4.675 1.00 0.59 C ATOM 198 O ILE A 15 -0.658 -13.146 -4.366 1.00 0.59 O ATOM 199 CB ILE A 15 -3.608 -13.287 -2.852 1.00 0.72 C ATOM 200 CG1 ILE A 15 -4.033 -12.471 -1.624 1.00 0.87 C ATOM 201 CG2 ILE A 15 -2.734 -14.456 -2.414 1.00 0.77 C ATOM 202 CD1 ILE A 15 -4.955 -11.308 -1.924 1.00 1.80 C ATOM 0 H ILE A 15 -4.790 -12.054 -4.698 1.00 0.59 H new ATOM 0 HA ILE A 15 -2.366 -11.604 -3.339 1.00 0.60 H new ATOM 0 HB ILE A 15 -4.498 -13.686 -3.339 1.00 0.72 H new ATOM 0 HG12 ILE A 15 -4.528 -13.136 -0.917 1.00 0.87 H new ATOM 0 HG13 ILE A 15 -3.139 -12.090 -1.131 1.00 0.87 H new ATOM 0 HG21 ILE A 15 -3.275 -15.062 -1.687 1.00 0.77 H new ATOM 0 HG22 ILE A 15 -2.483 -15.067 -3.281 1.00 0.77 H new ATOM 0 HG23 ILE A 15 -1.819 -14.076 -1.960 1.00 0.77 H new ATOM 0 HD11 ILE A 15 -5.202 -10.791 -0.997 1.00 1.80 H new ATOM 0 HD12 ILE A 15 -4.459 -10.616 -2.605 1.00 1.80 H new ATOM 0 HD13 ILE A 15 -5.870 -11.679 -2.387 1.00 1.80 H new ATOM 214 N SER A 16 -2.294 -13.892 -5.711 1.00 0.64 N ATOM 215 CA SER A 16 -1.396 -14.685 -6.543 1.00 0.70 C ATOM 216 C SER A 16 -0.341 -13.789 -7.195 1.00 0.69 C ATOM 217 O SER A 16 0.835 -14.158 -7.274 1.00 0.79 O ATOM 218 CB SER A 16 -2.194 -15.441 -7.610 1.00 0.81 C ATOM 219 OG SER A 16 -1.372 -16.349 -8.325 1.00 1.28 O ATOM 0 H SER A 16 -3.273 -13.927 -5.995 1.00 0.64 H new ATOM 0 HA SER A 16 -0.885 -15.412 -5.912 1.00 0.70 H new ATOM 0 HB2 SER A 16 -3.013 -15.984 -7.138 1.00 0.81 H new ATOM 0 HB3 SER A 16 -2.642 -14.729 -8.304 1.00 0.81 H new ATOM 0 HG SER A 16 -1.910 -16.817 -8.997 1.00 1.28 H new ATOM 225 N GLU A 17 -0.766 -12.602 -7.629 1.00 0.68 N ATOM 226 CA GLU A 17 0.134 -11.636 -8.258 1.00 0.75 C ATOM 227 C GLU A 17 1.273 -11.276 -7.308 1.00 0.69 C ATOM 228 O GLU A 17 2.452 -11.427 -7.636 1.00 0.75 O ATOM 229 CB GLU A 17 -0.626 -10.353 -8.625 1.00 0.88 C ATOM 230 CG GLU A 17 -1.944 -10.587 -9.348 1.00 1.30 C ATOM 231 CD GLU A 17 -1.775 -11.070 -10.774 1.00 1.49 C ATOM 232 OE1 GLU A 17 -1.338 -12.219 -10.975 1.00 2.07 O ATOM 233 OE2 GLU A 17 -2.112 -10.309 -11.704 1.00 1.70 O ATOM 0 H GLU A 17 -1.733 -12.286 -7.556 1.00 0.68 H new ATOM 0 HA GLU A 17 0.538 -12.092 -9.162 1.00 0.75 H new ATOM 0 HB2 GLU A 17 -0.821 -9.788 -7.714 1.00 0.88 H new ATOM 0 HB3 GLU A 17 0.014 -9.734 -9.253 1.00 0.88 H new ATOM 0 HG2 GLU A 17 -2.529 -11.320 -8.792 1.00 1.30 H new ATOM 0 HG3 GLU A 17 -2.516 -9.659 -9.353 1.00 1.30 H new ATOM 240 N VAL A 18 0.903 -10.818 -6.120 1.00 0.64 N ATOM 241 CA VAL A 18 1.873 -10.338 -5.144 1.00 0.69 C ATOM 242 C VAL A 18 2.668 -11.490 -4.535 1.00 0.67 C ATOM 243 O VAL A 18 3.844 -11.336 -4.219 1.00 0.76 O ATOM 244 CB VAL A 18 1.186 -9.526 -4.024 1.00 0.75 C ATOM 245 CG1 VAL A 18 2.214 -8.924 -3.074 1.00 1.59 C ATOM 246 CG2 VAL A 18 0.307 -8.438 -4.625 1.00 1.43 C ATOM 0 H VAL A 18 -0.067 -10.768 -5.807 1.00 0.64 H new ATOM 0 HA VAL A 18 2.564 -9.684 -5.676 1.00 0.69 H new ATOM 0 HB VAL A 18 0.557 -10.204 -3.448 1.00 0.75 H new ATOM 0 HG11 VAL A 18 1.702 -8.358 -2.296 1.00 1.59 H new ATOM 0 HG12 VAL A 18 2.799 -9.722 -2.617 1.00 1.59 H new ATOM 0 HG13 VAL A 18 2.877 -8.260 -3.629 1.00 1.59 H new ATOM 0 HG21 VAL A 18 -0.171 -7.873 -3.825 1.00 1.43 H new ATOM 0 HG22 VAL A 18 0.919 -7.767 -5.227 1.00 1.43 H new ATOM 0 HG23 VAL A 18 -0.457 -8.894 -5.254 1.00 1.43 H new ATOM 256 N MET A 19 2.035 -12.648 -4.395 1.00 0.65 N ATOM 257 CA MET A 19 2.696 -13.816 -3.813 1.00 0.75 C ATOM 258 C MET A 19 3.933 -14.203 -4.620 1.00 0.74 C ATOM 259 O MET A 19 4.969 -14.554 -4.055 1.00 0.78 O ATOM 260 CB MET A 19 1.725 -14.999 -3.738 1.00 0.89 C ATOM 261 CG MET A 19 2.333 -16.254 -3.126 1.00 1.25 C ATOM 262 SD MET A 19 1.146 -17.607 -2.991 1.00 2.00 S ATOM 263 CE MET A 19 0.683 -17.830 -4.708 1.00 2.13 C ATOM 0 H MET A 19 1.067 -12.806 -4.675 1.00 0.65 H new ATOM 0 HA MET A 19 3.013 -13.555 -2.803 1.00 0.75 H new ATOM 0 HB2 MET A 19 0.854 -14.706 -3.152 1.00 0.89 H new ATOM 0 HB3 MET A 19 1.371 -15.231 -4.742 1.00 0.89 H new ATOM 0 HG2 MET A 19 3.178 -16.577 -3.734 1.00 1.25 H new ATOM 0 HG3 MET A 19 2.723 -16.018 -2.136 1.00 1.25 H new ATOM 0 HE1 MET A 19 0.660 -18.894 -4.943 1.00 2.13 H new ATOM 0 HE2 MET A 19 -0.304 -17.399 -4.878 1.00 2.13 H new ATOM 0 HE3 MET A 19 1.411 -17.332 -5.349 1.00 2.13 H new ATOM 273 N SER A 20 3.829 -14.130 -5.937 1.00 0.75 N ATOM 274 CA SER A 20 4.961 -14.435 -6.797 1.00 0.82 C ATOM 275 C SER A 20 5.977 -13.291 -6.753 1.00 0.82 C ATOM 276 O SER A 20 7.189 -13.521 -6.753 1.00 0.90 O ATOM 277 CB SER A 20 4.487 -14.685 -8.232 1.00 0.91 C ATOM 278 OG SER A 20 5.552 -15.144 -9.052 1.00 1.63 O ATOM 0 H SER A 20 2.978 -13.864 -6.432 1.00 0.75 H new ATOM 0 HA SER A 20 5.446 -15.342 -6.435 1.00 0.82 H new ATOM 0 HB2 SER A 20 3.683 -15.421 -8.229 1.00 0.91 H new ATOM 0 HB3 SER A 20 4.075 -13.765 -8.647 1.00 0.91 H new ATOM 0 HG SER A 20 5.222 -15.297 -9.962 1.00 1.63 H new ATOM 284 N ALA A 21 5.475 -12.063 -6.687 1.00 0.78 N ATOM 285 CA ALA A 21 6.328 -10.879 -6.667 1.00 0.85 C ATOM 286 C ALA A 21 7.174 -10.818 -5.398 1.00 0.82 C ATOM 287 O ALA A 21 8.379 -10.568 -5.457 1.00 0.89 O ATOM 288 CB ALA A 21 5.488 -9.619 -6.802 1.00 0.93 C ATOM 0 H ALA A 21 4.476 -11.860 -6.646 1.00 0.78 H new ATOM 0 HA ALA A 21 7.007 -10.946 -7.517 1.00 0.85 H new ATOM 0 HB1 ALA A 21 6.138 -8.745 -6.785 1.00 0.93 H new ATOM 0 HB2 ALA A 21 4.940 -9.646 -7.744 1.00 0.93 H new ATOM 0 HB3 ALA A 21 4.782 -9.562 -5.973 1.00 0.93 H new ATOM 294 N THR A 22 6.542 -11.065 -4.255 1.00 0.78 N ATOM 295 CA THR A 22 7.226 -11.023 -2.970 1.00 0.83 C ATOM 296 C THR A 22 8.298 -12.114 -2.902 1.00 0.87 C ATOM 297 O THR A 22 9.344 -11.936 -2.275 1.00 0.94 O ATOM 298 CB THR A 22 6.227 -11.162 -1.789 1.00 0.89 C ATOM 299 OG1 THR A 22 6.872 -10.875 -0.543 1.00 1.42 O ATOM 300 CG2 THR A 22 5.620 -12.554 -1.726 1.00 1.93 C ATOM 0 H THR A 22 5.551 -11.298 -4.194 1.00 0.78 H new ATOM 0 HA THR A 22 7.709 -10.050 -2.879 1.00 0.83 H new ATOM 0 HB THR A 22 5.428 -10.441 -1.963 1.00 0.89 H new ATOM 0 HG1 THR A 22 6.197 -10.649 0.130 1.00 1.42 H new ATOM 0 HG21 THR A 22 4.927 -12.611 -0.887 1.00 1.93 H new ATOM 0 HG22 THR A 22 5.085 -12.760 -2.653 1.00 1.93 H new ATOM 0 HG23 THR A 22 6.412 -13.291 -1.593 1.00 1.93 H new ATOM 308 N SER A 23 8.048 -13.228 -3.579 1.00 0.89 N ATOM 309 CA SER A 23 9.020 -14.306 -3.658 1.00 0.99 C ATOM 310 C SER A 23 10.191 -13.882 -4.540 1.00 1.01 C ATOM 311 O SER A 23 11.356 -14.130 -4.216 1.00 1.11 O ATOM 312 CB SER A 23 8.359 -15.573 -4.214 1.00 1.07 C ATOM 313 OG SER A 23 9.263 -16.665 -4.241 1.00 1.55 O ATOM 0 H SER A 23 7.178 -13.407 -4.081 1.00 0.89 H new ATOM 0 HA SER A 23 9.395 -14.524 -2.658 1.00 0.99 H new ATOM 0 HB2 SER A 23 7.494 -15.831 -3.603 1.00 1.07 H new ATOM 0 HB3 SER A 23 7.991 -15.380 -5.222 1.00 1.07 H new ATOM 0 HG SER A 23 8.809 -17.456 -4.599 1.00 1.55 H new ATOM 319 N ALA A 24 9.873 -13.219 -5.647 1.00 0.96 N ATOM 320 CA ALA A 24 10.885 -12.763 -6.588 1.00 1.03 C ATOM 321 C ALA A 24 11.800 -11.718 -5.958 1.00 1.01 C ATOM 322 O ALA A 24 13.021 -11.859 -5.994 1.00 1.10 O ATOM 323 CB ALA A 24 10.227 -12.208 -7.844 1.00 1.05 C ATOM 0 H ALA A 24 8.917 -12.985 -5.914 1.00 0.96 H new ATOM 0 HA ALA A 24 11.500 -13.621 -6.862 1.00 1.03 H new ATOM 0 HB1 ALA A 24 10.996 -11.871 -8.539 1.00 1.05 H new ATOM 0 HB2 ALA A 24 9.628 -12.987 -8.316 1.00 1.05 H new ATOM 0 HB3 ALA A 24 9.585 -11.368 -7.578 1.00 1.05 H new ATOM 329 N ILE A 25 11.210 -10.683 -5.359 1.00 0.93 N ATOM 330 CA ILE A 25 11.993 -9.601 -4.768 1.00 0.93 C ATOM 331 C ILE A 25 12.842 -10.100 -3.598 1.00 0.97 C ATOM 332 O ILE A 25 13.968 -9.643 -3.397 1.00 1.02 O ATOM 333 CB ILE A 25 11.108 -8.417 -4.300 1.00 0.89 C ATOM 334 CG1 ILE A 25 11.986 -7.303 -3.715 1.00 1.23 C ATOM 335 CG2 ILE A 25 10.071 -8.874 -3.283 1.00 1.11 C ATOM 336 CD1 ILE A 25 11.210 -6.081 -3.268 1.00 1.56 C ATOM 0 H ILE A 25 10.200 -10.572 -5.271 1.00 0.93 H new ATOM 0 HA ILE A 25 12.651 -9.239 -5.558 1.00 0.93 H new ATOM 0 HB ILE A 25 10.573 -8.026 -5.165 1.00 0.89 H new ATOM 0 HG12 ILE A 25 12.541 -7.700 -2.865 1.00 1.23 H new ATOM 0 HG13 ILE A 25 12.720 -7.002 -4.462 1.00 1.23 H new ATOM 0 HG21 ILE A 25 9.465 -8.022 -2.973 1.00 1.11 H new ATOM 0 HG22 ILE A 25 9.429 -9.631 -3.733 1.00 1.11 H new ATOM 0 HG23 ILE A 25 10.575 -9.296 -2.414 1.00 1.11 H new ATOM 0 HD11 ILE A 25 11.900 -5.339 -2.866 1.00 1.56 H new ATOM 0 HD12 ILE A 25 10.676 -5.658 -4.119 1.00 1.56 H new ATOM 0 HD13 ILE A 25 10.495 -6.366 -2.497 1.00 1.56 H new ATOM 348 N ASN A 26 12.315 -11.057 -2.845 1.00 0.98 N ATOM 349 CA ASN A 26 13.051 -11.620 -1.724 1.00 1.08 C ATOM 350 C ASN A 26 14.254 -12.395 -2.241 1.00 1.12 C ATOM 351 O ASN A 26 15.320 -12.391 -1.628 1.00 1.20 O ATOM 352 CB ASN A 26 12.154 -12.531 -0.882 1.00 1.15 C ATOM 353 CG ASN A 26 12.775 -12.882 0.459 1.00 1.48 C ATOM 354 OD1 ASN A 26 13.495 -13.872 0.588 1.00 1.96 O ATOM 355 ND2 ASN A 26 12.507 -12.066 1.467 1.00 2.02 N ATOM 0 H ASN A 26 11.388 -11.456 -2.990 1.00 0.98 H new ATOM 0 HA ASN A 26 13.394 -10.805 -1.087 1.00 1.08 H new ATOM 0 HB2 ASN A 26 11.195 -12.039 -0.717 1.00 1.15 H new ATOM 0 HB3 ASN A 26 11.951 -13.448 -1.436 1.00 1.15 H new ATOM 0 HD21 ASN A 26 12.902 -12.248 2.390 1.00 2.02 H new ATOM 0 HD22 ASN A 26 11.906 -11.255 1.321 1.00 2.02 H new ATOM 362 N GLY A 27 14.075 -13.020 -3.402 1.00 1.12 N ATOM 363 CA GLY A 27 15.144 -13.763 -4.034 1.00 1.20 C ATOM 364 C GLY A 27 16.168 -12.865 -4.702 1.00 1.23 C ATOM 365 O GLY A 27 17.206 -13.337 -5.165 1.00 1.36 O ATOM 0 H GLY A 27 13.196 -13.022 -3.919 1.00 1.12 H new ATOM 0 HA2 GLY A 27 15.642 -14.381 -3.287 1.00 1.20 H new ATOM 0 HA3 GLY A 27 14.721 -14.439 -4.777 1.00 1.20 H new ATOM 369 N LEU A 28 15.873 -11.574 -4.775 1.00 1.16 N ATOM 370 CA LEU A 28 16.810 -10.611 -5.336 1.00 1.22 C ATOM 371 C LEU A 28 17.867 -10.238 -4.304 1.00 1.28 C ATOM 372 O LEU A 28 19.002 -9.904 -4.649 1.00 1.42 O ATOM 373 CB LEU A 28 16.084 -9.340 -5.792 1.00 1.18 C ATOM 374 CG LEU A 28 14.953 -9.545 -6.799 1.00 1.39 C ATOM 375 CD1 LEU A 28 14.305 -8.212 -7.143 1.00 1.69 C ATOM 376 CD2 LEU A 28 15.469 -10.224 -8.055 1.00 1.81 C ATOM 0 H LEU A 28 14.993 -11.170 -4.453 1.00 1.16 H new ATOM 0 HA LEU A 28 17.287 -11.076 -6.199 1.00 1.22 H new ATOM 0 HB2 LEU A 28 15.676 -8.842 -4.912 1.00 1.18 H new ATOM 0 HB3 LEU A 28 16.817 -8.663 -6.230 1.00 1.18 H new ATOM 0 HG LEU A 28 14.202 -10.192 -6.346 1.00 1.39 H new ATOM 0 HD11 LEU A 28 13.501 -8.373 -7.861 1.00 1.69 H new ATOM 0 HD12 LEU A 28 13.898 -7.761 -6.238 1.00 1.69 H new ATOM 0 HD13 LEU A 28 15.051 -7.546 -7.577 1.00 1.69 H new ATOM 0 HD21 LEU A 28 14.648 -10.360 -8.758 1.00 1.81 H new ATOM 0 HD22 LEU A 28 16.240 -9.604 -8.513 1.00 1.81 H new ATOM 0 HD23 LEU A 28 15.890 -11.195 -7.797 1.00 1.81 H new ATOM 388 N TYR A 29 17.484 -10.299 -3.037 1.00 1.22 N ATOM 389 CA TYR A 29 18.353 -9.875 -1.951 1.00 1.31 C ATOM 390 C TYR A 29 18.799 -11.076 -1.126 1.00 1.58 C ATOM 391 O TYR A 29 19.995 -11.336 -1.000 1.00 2.30 O ATOM 392 CB TYR A 29 17.631 -8.850 -1.068 1.00 1.13 C ATOM 393 CG TYR A 29 17.291 -7.560 -1.793 1.00 0.94 C ATOM 394 CD1 TYR A 29 16.324 -7.533 -2.791 1.00 0.91 C ATOM 395 CD2 TYR A 29 17.941 -6.372 -1.482 1.00 0.90 C ATOM 396 CE1 TYR A 29 16.017 -6.366 -3.459 1.00 0.87 C ATOM 397 CE2 TYR A 29 17.636 -5.195 -2.144 1.00 0.84 C ATOM 398 CZ TYR A 29 16.671 -5.202 -3.134 1.00 0.85 C ATOM 399 OH TYR A 29 16.369 -4.042 -3.809 1.00 0.96 O ATOM 0 H TYR A 29 16.571 -10.640 -2.735 1.00 1.22 H new ATOM 0 HA TYR A 29 19.240 -9.405 -2.375 1.00 1.31 H new ATOM 0 HB2 TYR A 29 16.713 -9.295 -0.685 1.00 1.13 H new ATOM 0 HB3 TYR A 29 18.257 -8.619 -0.206 1.00 1.13 H new ATOM 0 HD1 TYR A 29 15.803 -8.443 -3.048 1.00 0.91 H new ATOM 0 HD2 TYR A 29 18.697 -6.367 -0.711 1.00 0.90 H new ATOM 0 HE1 TYR A 29 15.265 -6.367 -4.235 1.00 0.87 H new ATOM 0 HE2 TYR A 29 18.148 -4.279 -1.889 1.00 0.84 H new ATOM 0 HH TYR A 29 15.406 -4.008 -3.987 1.00 0.96 H new ATOM 409 N ILE A 30 17.820 -11.806 -0.591 1.00 1.25 N ATOM 410 CA ILE A 30 18.058 -13.035 0.173 1.00 1.45 C ATOM 411 C ILE A 30 18.901 -12.790 1.425 1.00 1.45 C ATOM 412 O ILE A 30 20.133 -12.805 1.383 1.00 1.99 O ATOM 413 CB ILE A 30 18.722 -14.134 -0.690 1.00 1.67 C ATOM 414 CG1 ILE A 30 17.908 -14.366 -1.967 1.00 1.88 C ATOM 415 CG2 ILE A 30 18.844 -15.431 0.104 1.00 1.89 C ATOM 416 CD1 ILE A 30 18.519 -15.392 -2.900 1.00 2.50 C ATOM 0 H ILE A 30 16.833 -11.561 -0.675 1.00 1.25 H new ATOM 0 HA ILE A 30 17.073 -13.382 0.486 1.00 1.45 H new ATOM 0 HB ILE A 30 19.723 -13.803 -0.968 1.00 1.67 H new ATOM 0 HG12 ILE A 30 16.904 -14.689 -1.694 1.00 1.88 H new ATOM 0 HG13 ILE A 30 17.805 -13.420 -2.499 1.00 1.88 H new ATOM 0 HG21 ILE A 30 19.313 -16.195 -0.516 1.00 1.89 H new ATOM 0 HG22 ILE A 30 19.454 -15.259 0.991 1.00 1.89 H new ATOM 0 HG23 ILE A 30 17.852 -15.767 0.406 1.00 1.89 H new ATOM 0 HD11 ILE A 30 17.888 -15.503 -3.782 1.00 2.50 H new ATOM 0 HD12 ILE A 30 19.512 -15.062 -3.204 1.00 2.50 H new ATOM 0 HD13 ILE A 30 18.597 -16.350 -2.386 1.00 2.50 H new ATOM 428 N GLY A 31 18.233 -12.545 2.539 1.00 1.43 N ATOM 429 CA GLY A 31 18.934 -12.403 3.798 1.00 1.69 C ATOM 430 C GLY A 31 18.969 -10.974 4.285 1.00 1.52 C ATOM 431 O GLY A 31 19.595 -10.669 5.299 1.00 1.93 O ATOM 0 H GLY A 31 17.220 -12.442 2.596 1.00 1.43 H new ATOM 0 HA2 GLY A 31 18.452 -13.028 4.550 1.00 1.69 H new ATOM 0 HA3 GLY A 31 19.954 -12.770 3.685 1.00 1.69 H new ATOM 435 N GLN A 32 18.307 -10.092 3.555 1.00 1.16 N ATOM 436 CA GLN A 32 18.178 -8.711 3.982 1.00 1.10 C ATOM 437 C GLN A 32 17.223 -8.616 5.160 1.00 1.14 C ATOM 438 O GLN A 32 16.141 -9.203 5.133 1.00 1.93 O ATOM 439 CB GLN A 32 17.685 -7.828 2.835 1.00 1.09 C ATOM 440 CG GLN A 32 18.801 -7.248 1.982 1.00 1.38 C ATOM 441 CD GLN A 32 19.699 -6.307 2.764 1.00 2.15 C ATOM 442 OE1 GLN A 32 19.267 -5.691 3.738 1.00 2.74 O ATOM 443 NE2 GLN A 32 20.946 -6.173 2.335 1.00 2.84 N ATOM 0 H GLN A 32 17.853 -10.307 2.668 1.00 1.16 H new ATOM 0 HA GLN A 32 19.162 -8.355 4.289 1.00 1.10 H new ATOM 0 HB2 GLN A 32 17.021 -8.413 2.199 1.00 1.09 H new ATOM 0 HB3 GLN A 32 17.093 -7.011 3.247 1.00 1.09 H new ATOM 0 HG2 GLN A 32 19.401 -8.061 1.572 1.00 1.38 H new ATOM 0 HG3 GLN A 32 18.368 -6.713 1.137 1.00 1.38 H new ATOM 0 HE21 GLN A 32 21.266 -6.702 1.523 1.00 2.84 H new ATOM 0 HE22 GLN A 32 21.586 -5.541 2.816 1.00 2.84 H new ATOM 452 N THR A 33 17.638 -7.887 6.188 1.00 1.15 N ATOM 453 CA THR A 33 16.830 -7.701 7.387 1.00 1.20 C ATOM 454 C THR A 33 15.450 -7.152 7.028 1.00 1.09 C ATOM 455 O THR A 33 14.437 -7.552 7.605 1.00 1.21 O ATOM 456 CB THR A 33 17.533 -6.739 8.364 1.00 1.54 C ATOM 457 OG1 THR A 33 18.924 -7.079 8.454 1.00 1.91 O ATOM 458 CG2 THR A 33 16.899 -6.810 9.745 1.00 1.83 C ATOM 0 H THR A 33 18.539 -7.410 6.215 1.00 1.15 H new ATOM 0 HA THR A 33 16.708 -8.672 7.867 1.00 1.20 H new ATOM 0 HB THR A 33 17.425 -5.722 7.987 1.00 1.54 H new ATOM 0 HG1 THR A 33 19.371 -6.466 9.074 1.00 1.91 H new ATOM 0 HG21 THR A 33 17.412 -6.122 10.417 1.00 1.83 H new ATOM 0 HG22 THR A 33 15.847 -6.533 9.677 1.00 1.83 H new ATOM 0 HG23 THR A 33 16.983 -7.826 10.132 1.00 1.83 H new ATOM 466 N SER A 34 15.434 -6.231 6.071 1.00 1.12 N ATOM 467 CA SER A 34 14.196 -5.715 5.508 1.00 1.35 C ATOM 468 C SER A 34 14.508 -4.885 4.272 1.00 1.13 C ATOM 469 O SER A 34 13.845 -3.886 4.010 1.00 1.18 O ATOM 470 CB SER A 34 13.447 -4.861 6.530 1.00 1.82 C ATOM 471 OG SER A 34 12.114 -4.615 6.114 1.00 2.42 O ATOM 0 H SER A 34 16.277 -5.823 5.666 1.00 1.12 H new ATOM 0 HA SER A 34 13.560 -6.557 5.235 1.00 1.35 H new ATOM 0 HB2 SER A 34 13.442 -5.366 7.496 1.00 1.82 H new ATOM 0 HB3 SER A 34 13.968 -3.914 6.668 1.00 1.82 H new ATOM 0 HG SER A 34 12.116 -4.268 5.198 1.00 2.42 H new ATOM 477 N TYR A 35 15.518 -5.324 3.510 1.00 0.96 N ATOM 478 CA TYR A 35 15.954 -4.623 2.296 1.00 0.78 C ATOM 479 C TYR A 35 16.549 -3.271 2.663 1.00 0.74 C ATOM 480 O TYR A 35 16.573 -2.343 1.853 1.00 0.68 O ATOM 481 CB TYR A 35 14.782 -4.475 1.312 1.00 0.90 C ATOM 482 CG TYR A 35 14.062 -5.780 1.035 1.00 0.97 C ATOM 483 CD1 TYR A 35 14.508 -6.651 0.044 1.00 1.27 C ATOM 484 CD2 TYR A 35 12.927 -6.134 1.747 1.00 0.97 C ATOM 485 CE1 TYR A 35 13.843 -7.831 -0.224 1.00 1.37 C ATOM 486 CE2 TYR A 35 12.258 -7.315 1.488 1.00 1.12 C ATOM 487 CZ TYR A 35 12.765 -8.195 0.552 1.00 1.23 C ATOM 488 OH TYR A 35 12.044 -9.327 0.231 1.00 1.41 O ATOM 0 H TYR A 35 16.052 -6.168 3.716 1.00 0.96 H new ATOM 0 HA TYR A 35 16.728 -5.210 1.801 1.00 0.78 H new ATOM 0 HB2 TYR A 35 14.070 -3.753 1.712 1.00 0.90 H new ATOM 0 HB3 TYR A 35 15.155 -4.068 0.372 1.00 0.90 H new ATOM 0 HD1 TYR A 35 15.390 -6.399 -0.525 1.00 1.27 H new ATOM 0 HD2 TYR A 35 12.558 -5.474 2.519 1.00 0.97 H new ATOM 0 HE1 TYR A 35 14.166 -8.464 -1.037 1.00 1.37 H new ATOM 0 HE2 TYR A 35 11.344 -7.548 2.014 1.00 1.12 H new ATOM 0 HH TYR A 35 11.112 -9.082 0.052 1.00 1.41 H new ATOM 498 N SER A 36 17.059 -3.197 3.889 1.00 0.89 N ATOM 499 CA SER A 36 17.678 -1.991 4.408 1.00 1.03 C ATOM 500 C SER A 36 18.823 -1.543 3.507 1.00 1.25 C ATOM 501 O SER A 36 19.720 -2.320 3.174 1.00 2.03 O ATOM 502 CB SER A 36 18.179 -2.237 5.831 1.00 1.37 C ATOM 503 OG SER A 36 17.126 -2.703 6.667 1.00 2.08 O ATOM 0 H SER A 36 17.052 -3.975 4.548 1.00 0.89 H new ATOM 0 HA SER A 36 16.934 -1.195 4.428 1.00 1.03 H new ATOM 0 HB2 SER A 36 18.987 -2.969 5.815 1.00 1.37 H new ATOM 0 HB3 SER A 36 18.592 -1.315 6.240 1.00 1.37 H new ATOM 0 HG SER A 36 17.470 -2.855 7.572 1.00 2.08 H new ATOM 509 N GLY A 37 18.779 -0.283 3.131 1.00 1.42 N ATOM 510 CA GLY A 37 19.717 0.246 2.172 1.00 1.83 C ATOM 511 C GLY A 37 18.993 1.015 1.096 1.00 1.52 C ATOM 512 O GLY A 37 19.369 2.142 0.766 1.00 1.88 O ATOM 0 H GLY A 37 18.100 0.394 3.478 1.00 1.42 H new ATOM 0 HA2 GLY A 37 20.432 0.897 2.675 1.00 1.83 H new ATOM 0 HA3 GLY A 37 20.287 -0.568 1.725 1.00 1.83 H new ATOM 516 N LEU A 38 17.929 0.413 0.570 1.00 0.95 N ATOM 517 CA LEU A 38 17.101 1.074 -0.435 1.00 0.77 C ATOM 518 C LEU A 38 16.482 2.343 0.136 1.00 0.68 C ATOM 519 O LEU A 38 16.423 3.380 -0.528 1.00 0.66 O ATOM 520 CB LEU A 38 15.981 0.148 -0.904 1.00 0.68 C ATOM 521 CG LEU A 38 16.422 -1.174 -1.524 1.00 0.87 C ATOM 522 CD1 LEU A 38 15.205 -2.040 -1.808 1.00 1.11 C ATOM 523 CD2 LEU A 38 17.216 -0.926 -2.798 1.00 1.19 C ATOM 0 H LEU A 38 17.621 -0.526 0.821 1.00 0.95 H new ATOM 0 HA LEU A 38 17.741 1.326 -1.280 1.00 0.77 H new ATOM 0 HB2 LEU A 38 15.336 -0.070 -0.053 1.00 0.68 H new ATOM 0 HB3 LEU A 38 15.375 0.684 -1.634 1.00 0.68 H new ATOM 0 HG LEU A 38 17.069 -1.698 -0.820 1.00 0.87 H new ATOM 0 HD11 LEU A 38 15.525 -2.983 -2.251 1.00 1.11 H new ATOM 0 HD12 LEU A 38 14.674 -2.238 -0.877 1.00 1.11 H new ATOM 0 HD13 LEU A 38 14.542 -1.521 -2.500 1.00 1.11 H new ATOM 0 HD21 LEU A 38 17.523 -1.880 -3.227 1.00 1.19 H new ATOM 0 HD22 LEU A 38 16.595 -0.389 -3.515 1.00 1.19 H new ATOM 0 HD23 LEU A 38 18.100 -0.332 -2.566 1.00 1.19 H new ATOM 535 N ASP A 39 16.034 2.249 1.381 1.00 0.76 N ATOM 536 CA ASP A 39 15.341 3.346 2.044 1.00 0.85 C ATOM 537 C ASP A 39 16.256 4.541 2.212 1.00 0.82 C ATOM 538 O ASP A 39 15.859 5.665 1.946 1.00 0.90 O ATOM 539 CB ASP A 39 14.823 2.895 3.407 1.00 1.08 C ATOM 540 CG ASP A 39 14.179 4.015 4.191 1.00 1.59 C ATOM 541 OD1 ASP A 39 12.996 4.316 3.936 1.00 2.42 O ATOM 542 OD2 ASP A 39 14.853 4.574 5.085 1.00 1.84 O ATOM 0 H ASP A 39 16.140 1.414 1.958 1.00 0.76 H new ATOM 0 HA ASP A 39 14.498 3.641 1.419 1.00 0.85 H new ATOM 0 HB2 ASP A 39 14.099 2.093 3.267 1.00 1.08 H new ATOM 0 HB3 ASP A 39 15.649 2.482 3.985 1.00 1.08 H new ATOM 547 N SER A 40 17.488 4.284 2.631 1.00 0.82 N ATOM 548 CA SER A 40 18.453 5.348 2.858 1.00 0.94 C ATOM 549 C SER A 40 18.624 6.187 1.594 1.00 0.89 C ATOM 550 O SER A 40 18.699 7.413 1.657 1.00 1.00 O ATOM 551 CB SER A 40 19.797 4.756 3.301 1.00 1.13 C ATOM 552 OG SER A 40 20.634 5.749 3.868 1.00 1.71 O ATOM 0 H SER A 40 17.842 3.346 2.820 1.00 0.82 H new ATOM 0 HA SER A 40 18.082 5.997 3.652 1.00 0.94 H new ATOM 0 HB2 SER A 40 19.625 3.963 4.029 1.00 1.13 H new ATOM 0 HB3 SER A 40 20.296 4.301 2.446 1.00 1.13 H new ATOM 0 HG SER A 40 21.483 5.343 4.143 1.00 1.71 H new ATOM 558 N THR A 41 18.640 5.519 0.445 1.00 0.81 N ATOM 559 CA THR A 41 18.750 6.200 -0.836 1.00 0.85 C ATOM 560 C THR A 41 17.547 7.111 -1.081 1.00 0.79 C ATOM 561 O THR A 41 17.706 8.299 -1.345 1.00 0.95 O ATOM 562 CB THR A 41 18.870 5.183 -1.988 1.00 0.92 C ATOM 563 OG1 THR A 41 20.022 4.355 -1.779 1.00 1.25 O ATOM 564 CG2 THR A 41 18.983 5.882 -3.335 1.00 1.38 C ATOM 0 H THR A 41 18.578 4.503 0.377 1.00 0.81 H new ATOM 0 HA THR A 41 19.652 6.811 -0.805 1.00 0.85 H new ATOM 0 HB THR A 41 17.968 4.572 -1.997 1.00 0.92 H new ATOM 0 HG1 THR A 41 20.097 3.708 -2.511 1.00 1.25 H new ATOM 0 HG21 THR A 41 19.066 5.137 -4.126 1.00 1.38 H new ATOM 0 HG22 THR A 41 18.096 6.493 -3.504 1.00 1.38 H new ATOM 0 HG23 THR A 41 19.868 6.518 -3.342 1.00 1.38 H new ATOM 572 N ILE A 42 16.348 6.551 -0.965 1.00 0.67 N ATOM 573 CA ILE A 42 15.120 7.296 -1.242 1.00 0.67 C ATOM 574 C ILE A 42 14.894 8.402 -0.210 1.00 0.64 C ATOM 575 O ILE A 42 14.439 9.499 -0.546 1.00 0.68 O ATOM 576 CB ILE A 42 13.892 6.355 -1.262 1.00 0.73 C ATOM 577 CG1 ILE A 42 14.104 5.216 -2.263 1.00 0.82 C ATOM 578 CG2 ILE A 42 12.618 7.125 -1.592 1.00 0.78 C ATOM 579 CD1 ILE A 42 14.341 5.680 -3.687 1.00 0.87 C ATOM 0 H ILE A 42 16.198 5.583 -0.681 1.00 0.67 H new ATOM 0 HA ILE A 42 15.238 7.752 -2.225 1.00 0.67 H new ATOM 0 HB ILE A 42 13.780 5.926 -0.266 1.00 0.73 H new ATOM 0 HG12 ILE A 42 14.956 4.617 -1.941 1.00 0.82 H new ATOM 0 HG13 ILE A 42 13.231 4.564 -2.245 1.00 0.82 H new ATOM 0 HG21 ILE A 42 11.770 6.440 -1.600 1.00 0.78 H new ATOM 0 HG22 ILE A 42 12.454 7.897 -0.840 1.00 0.78 H new ATOM 0 HG23 ILE A 42 12.718 7.590 -2.573 1.00 0.78 H new ATOM 0 HD11 ILE A 42 14.482 4.814 -4.333 1.00 0.87 H new ATOM 0 HD12 ILE A 42 13.480 6.253 -4.031 1.00 0.87 H new ATOM 0 HD13 ILE A 42 15.232 6.307 -3.722 1.00 0.87 H new ATOM 591 N LEU A 43 15.235 8.103 1.035 1.00 0.64 N ATOM 592 CA LEU A 43 15.040 9.021 2.150 1.00 0.70 C ATOM 593 C LEU A 43 15.777 10.335 1.912 1.00 0.75 C ATOM 594 O LEU A 43 15.162 11.401 1.863 1.00 0.75 O ATOM 595 CB LEU A 43 15.537 8.365 3.444 1.00 0.85 C ATOM 596 CG LEU A 43 15.143 9.071 4.740 1.00 1.07 C ATOM 597 CD1 LEU A 43 13.641 8.977 4.960 1.00 1.20 C ATOM 598 CD2 LEU A 43 15.899 8.473 5.917 1.00 1.43 C ATOM 0 H LEU A 43 15.657 7.213 1.302 1.00 0.64 H new ATOM 0 HA LEU A 43 13.976 9.243 2.237 1.00 0.70 H new ATOM 0 HB2 LEU A 43 15.159 7.343 3.480 1.00 0.85 H new ATOM 0 HB3 LEU A 43 16.624 8.302 3.403 1.00 0.85 H new ATOM 0 HG LEU A 43 15.410 10.125 4.660 1.00 1.07 H new ATOM 0 HD11 LEU A 43 13.377 9.485 5.888 1.00 1.20 H new ATOM 0 HD12 LEU A 43 13.121 9.449 4.127 1.00 1.20 H new ATOM 0 HD13 LEU A 43 13.347 7.929 5.024 1.00 1.20 H new ATOM 0 HD21 LEU A 43 15.609 8.985 6.834 1.00 1.43 H new ATOM 0 HD22 LEU A 43 15.660 7.413 6.002 1.00 1.43 H new ATOM 0 HD23 LEU A 43 16.971 8.592 5.759 1.00 1.43 H new ATOM 610 N LEU A 44 17.090 10.254 1.736 1.00 0.85 N ATOM 611 CA LEU A 44 17.909 11.447 1.550 1.00 0.98 C ATOM 612 C LEU A 44 17.760 12.004 0.140 1.00 0.92 C ATOM 613 O LEU A 44 18.165 13.137 -0.134 1.00 1.03 O ATOM 614 CB LEU A 44 19.386 11.148 1.863 1.00 1.19 C ATOM 615 CG LEU A 44 20.042 10.017 1.051 1.00 1.33 C ATOM 616 CD1 LEU A 44 20.481 10.495 -0.327 1.00 1.54 C ATOM 617 CD2 LEU A 44 21.226 9.441 1.811 1.00 1.66 C ATOM 0 H LEU A 44 17.610 9.377 1.718 1.00 0.85 H new ATOM 0 HA LEU A 44 17.556 12.206 2.248 1.00 0.98 H new ATOM 0 HB2 LEU A 44 19.961 12.061 1.704 1.00 1.19 H new ATOM 0 HB3 LEU A 44 19.468 10.901 2.921 1.00 1.19 H new ATOM 0 HG LEU A 44 19.295 9.236 0.908 1.00 1.33 H new ATOM 0 HD11 LEU A 44 20.939 9.668 -0.870 1.00 1.54 H new ATOM 0 HD12 LEU A 44 19.614 10.856 -0.880 1.00 1.54 H new ATOM 0 HD13 LEU A 44 21.204 11.303 -0.218 1.00 1.54 H new ATOM 0 HD21 LEU A 44 21.681 8.642 1.225 1.00 1.66 H new ATOM 0 HD22 LEU A 44 21.962 10.226 1.987 1.00 1.66 H new ATOM 0 HD23 LEU A 44 20.886 9.042 2.766 1.00 1.66 H new ATOM 629 N ASN A 45 17.182 11.204 -0.749 1.00 0.84 N ATOM 630 CA ASN A 45 17.009 11.593 -2.146 1.00 0.91 C ATOM 631 C ASN A 45 16.107 12.806 -2.261 1.00 0.88 C ATOM 632 O ASN A 45 16.434 13.776 -2.940 1.00 1.02 O ATOM 633 CB ASN A 45 16.398 10.449 -2.952 1.00 1.01 C ATOM 634 CG ASN A 45 16.355 10.739 -4.441 1.00 1.17 C ATOM 635 OD1 ASN A 45 17.206 11.449 -4.971 1.00 1.88 O ATOM 636 ND2 ASN A 45 15.365 10.183 -5.127 1.00 1.32 N ATOM 0 H ASN A 45 16.823 10.276 -0.526 1.00 0.84 H new ATOM 0 HA ASN A 45 17.995 11.835 -2.543 1.00 0.91 H new ATOM 0 HB2 ASN A 45 16.975 9.540 -2.780 1.00 1.01 H new ATOM 0 HB3 ASN A 45 15.386 10.258 -2.594 1.00 1.01 H new ATOM 0 HD21 ASN A 45 15.291 10.339 -6.132 1.00 1.32 H new ATOM 0 HD22 ASN A 45 14.678 9.600 -4.649 1.00 1.32 H new ATOM 643 N THR A 46 14.965 12.750 -1.596 1.00 0.79 N ATOM 644 CA THR A 46 13.986 13.809 -1.725 1.00 0.85 C ATOM 645 C THR A 46 13.606 14.408 -0.376 1.00 0.79 C ATOM 646 O THR A 46 12.770 13.861 0.344 1.00 0.68 O ATOM 647 CB THR A 46 12.717 13.293 -2.430 1.00 0.93 C ATOM 648 OG1 THR A 46 13.077 12.656 -3.665 1.00 1.15 O ATOM 649 CG2 THR A 46 11.737 14.428 -2.706 1.00 1.12 C ATOM 0 H THR A 46 14.698 11.991 -0.969 1.00 0.79 H new ATOM 0 HA THR A 46 14.448 14.592 -2.326 1.00 0.85 H new ATOM 0 HB THR A 46 12.229 12.575 -1.771 1.00 0.93 H new ATOM 0 HG1 THR A 46 12.269 12.327 -4.111 1.00 1.15 H new ATOM 0 HG21 THR A 46 10.852 14.032 -3.204 1.00 1.12 H new ATOM 0 HG22 THR A 46 11.446 14.894 -1.765 1.00 1.12 H new ATOM 0 HG23 THR A 46 12.212 15.171 -3.347 1.00 1.12 H new ATOM 657 N SER A 47 14.264 15.516 -0.034 1.00 0.97 N ATOM 658 CA SER A 47 13.816 16.400 1.040 1.00 1.13 C ATOM 659 C SER A 47 13.857 15.732 2.424 1.00 1.06 C ATOM 660 O SER A 47 13.306 16.271 3.389 1.00 1.32 O ATOM 661 CB SER A 47 12.394 16.875 0.711 1.00 1.29 C ATOM 662 OG SER A 47 11.963 17.922 1.568 1.00 1.87 O ATOM 0 H SER A 47 15.121 15.825 -0.493 1.00 0.97 H new ATOM 0 HA SER A 47 14.502 17.245 1.097 1.00 1.13 H new ATOM 0 HB2 SER A 47 12.358 17.217 -0.323 1.00 1.29 H new ATOM 0 HB3 SER A 47 11.705 16.035 0.793 1.00 1.29 H new ATOM 0 HG SER A 47 12.260 17.738 2.484 1.00 1.87 H new ATOM 668 N ALA A 48 14.506 14.564 2.513 1.00 0.92 N ATOM 669 CA ALA A 48 14.593 13.782 3.761 1.00 0.97 C ATOM 670 C ALA A 48 13.246 13.148 4.119 1.00 0.88 C ATOM 671 O ALA A 48 13.193 12.128 4.801 1.00 1.00 O ATOM 672 CB ALA A 48 15.121 14.623 4.917 1.00 1.22 C ATOM 0 H ALA A 48 14.987 14.131 1.724 1.00 0.92 H new ATOM 0 HA ALA A 48 15.307 12.977 3.585 1.00 0.97 H new ATOM 0 HB1 ALA A 48 15.171 14.012 5.818 1.00 1.22 H new ATOM 0 HB2 ALA A 48 16.117 14.992 4.673 1.00 1.22 H new ATOM 0 HB3 ALA A 48 14.453 15.467 5.087 1.00 1.22 H new ATOM 678 N ILE A 49 12.169 13.770 3.678 1.00 0.78 N ATOM 679 CA ILE A 49 10.843 13.197 3.789 1.00 0.75 C ATOM 680 C ILE A 49 10.304 12.951 2.388 1.00 0.62 C ATOM 681 O ILE A 49 9.888 13.893 1.712 1.00 0.65 O ATOM 682 CB ILE A 49 9.867 14.125 4.544 1.00 0.86 C ATOM 683 CG1 ILE A 49 10.434 14.516 5.913 1.00 1.17 C ATOM 684 CG2 ILE A 49 8.510 13.446 4.704 1.00 0.95 C ATOM 685 CD1 ILE A 49 9.566 15.501 6.670 1.00 1.93 C ATOM 0 H ILE A 49 12.190 14.687 3.233 1.00 0.78 H new ATOM 0 HA ILE A 49 10.922 12.269 4.355 1.00 0.75 H new ATOM 0 HB ILE A 49 9.737 15.035 3.958 1.00 0.86 H new ATOM 0 HG12 ILE A 49 10.559 13.616 6.516 1.00 1.17 H new ATOM 0 HG13 ILE A 49 11.425 14.948 5.776 1.00 1.17 H new ATOM 0 HG21 ILE A 49 7.831 14.111 5.238 1.00 0.95 H new ATOM 0 HG22 ILE A 49 8.098 13.220 3.720 1.00 0.95 H new ATOM 0 HG23 ILE A 49 8.630 12.521 5.268 1.00 0.95 H new ATOM 0 HD11 ILE A 49 10.029 15.732 7.629 1.00 1.93 H new ATOM 0 HD12 ILE A 49 9.462 16.416 6.088 1.00 1.93 H new ATOM 0 HD13 ILE A 49 8.582 15.064 6.838 1.00 1.93 H new ATOM 697 N PRO A 50 10.351 11.694 1.919 1.00 0.57 N ATOM 698 CA PRO A 50 9.904 11.337 0.573 1.00 0.52 C ATOM 699 C PRO A 50 8.463 11.770 0.317 1.00 0.53 C ATOM 700 O PRO A 50 7.518 11.178 0.838 1.00 0.53 O ATOM 701 CB PRO A 50 10.039 9.811 0.538 1.00 0.54 C ATOM 702 CG PRO A 50 11.047 9.496 1.589 1.00 0.66 C ATOM 703 CD PRO A 50 10.849 10.524 2.664 1.00 0.68 C ATOM 0 HA PRO A 50 10.488 11.834 -0.202 1.00 0.52 H new ATOM 0 HB2 PRO A 50 9.086 9.324 0.745 1.00 0.54 H new ATOM 0 HB3 PRO A 50 10.367 9.465 -0.442 1.00 0.54 H new ATOM 0 HG2 PRO A 50 10.903 8.489 1.980 1.00 0.66 H new ATOM 0 HG3 PRO A 50 12.059 9.541 1.187 1.00 0.66 H new ATOM 0 HD2 PRO A 50 10.133 10.190 3.415 1.00 0.68 H new ATOM 0 HD3 PRO A 50 11.780 10.745 3.187 1.00 0.68 H new ATOM 711 N ASP A 51 8.312 12.814 -0.488 1.00 0.59 N ATOM 712 CA ASP A 51 7.006 13.409 -0.762 1.00 0.63 C ATOM 713 C ASP A 51 6.157 12.477 -1.621 1.00 0.52 C ATOM 714 O ASP A 51 4.939 12.623 -1.707 1.00 0.54 O ATOM 715 CB ASP A 51 7.188 14.761 -1.463 1.00 0.84 C ATOM 716 CG ASP A 51 5.920 15.591 -1.488 1.00 1.30 C ATOM 717 OD1 ASP A 51 5.077 15.369 -2.380 1.00 1.86 O ATOM 718 OD2 ASP A 51 5.744 16.456 -0.615 1.00 2.04 O ATOM 0 H ASP A 51 9.086 13.272 -0.969 1.00 0.59 H new ATOM 0 HA ASP A 51 6.488 13.564 0.184 1.00 0.63 H new ATOM 0 HB2 ASP A 51 7.974 15.323 -0.958 1.00 0.84 H new ATOM 0 HB3 ASP A 51 7.525 14.591 -2.486 1.00 0.84 H new ATOM 723 N ASN A 52 6.812 11.482 -2.210 1.00 0.47 N ATOM 724 CA ASN A 52 6.155 10.540 -3.108 1.00 0.49 C ATOM 725 C ASN A 52 5.130 9.700 -2.350 1.00 0.43 C ATOM 726 O ASN A 52 4.247 9.089 -2.948 1.00 0.56 O ATOM 727 CB ASN A 52 7.192 9.625 -3.762 1.00 0.59 C ATOM 728 CG ASN A 52 6.602 8.790 -4.880 1.00 1.32 C ATOM 729 OD1 ASN A 52 5.739 9.244 -5.622 1.00 2.22 O ATOM 730 ND2 ASN A 52 7.051 7.555 -4.995 1.00 1.84 N ATOM 0 H ASN A 52 7.808 11.307 -2.079 1.00 0.47 H new ATOM 0 HA ASN A 52 5.638 11.108 -3.882 1.00 0.49 H new ATOM 0 HB2 ASN A 52 8.009 10.230 -4.156 1.00 0.59 H new ATOM 0 HB3 ASN A 52 7.619 8.966 -3.006 1.00 0.59 H new ATOM 0 HD21 ASN A 52 6.679 6.942 -5.721 1.00 1.84 H new ATOM 0 HD22 ASN A 52 7.771 7.213 -4.358 1.00 1.84 H new ATOM 737 N TYR A 53 5.248 9.703 -1.022 1.00 0.39 N ATOM 738 CA TYR A 53 4.337 8.973 -0.138 1.00 0.52 C ATOM 739 C TYR A 53 2.895 9.454 -0.290 1.00 0.56 C ATOM 740 O TYR A 53 1.968 8.850 0.240 1.00 0.83 O ATOM 741 CB TYR A 53 4.772 9.153 1.314 1.00 0.66 C ATOM 742 CG TYR A 53 6.065 8.453 1.670 1.00 0.63 C ATOM 743 CD1 TYR A 53 6.590 7.462 0.855 1.00 0.67 C ATOM 744 CD2 TYR A 53 6.745 8.770 2.837 1.00 0.67 C ATOM 745 CE1 TYR A 53 7.752 6.800 1.196 1.00 0.73 C ATOM 746 CE2 TYR A 53 7.909 8.118 3.181 1.00 0.67 C ATOM 747 CZ TYR A 53 8.407 7.132 2.360 1.00 0.70 C ATOM 748 OH TYR A 53 9.557 6.476 2.713 1.00 0.79 O ATOM 0 H TYR A 53 5.980 10.213 -0.527 1.00 0.39 H new ATOM 0 HA TYR A 53 4.379 7.920 -0.418 1.00 0.52 H new ATOM 0 HB2 TYR A 53 4.881 10.218 1.518 1.00 0.66 H new ATOM 0 HB3 TYR A 53 3.981 8.783 1.966 1.00 0.66 H new ATOM 0 HD1 TYR A 53 6.081 7.204 -0.062 1.00 0.67 H new ATOM 0 HD2 TYR A 53 6.356 9.540 3.486 1.00 0.67 H new ATOM 0 HE1 TYR A 53 8.145 6.026 0.553 1.00 0.73 H new ATOM 0 HE2 TYR A 53 8.428 8.380 4.091 1.00 0.67 H new ATOM 0 HH TYR A 53 9.772 5.804 2.033 1.00 0.79 H new ATOM 758 N LYS A 54 2.711 10.548 -1.001 1.00 0.46 N ATOM 759 CA LYS A 54 1.388 11.094 -1.213 1.00 0.49 C ATOM 760 C LYS A 54 1.269 11.662 -2.624 1.00 0.52 C ATOM 761 O LYS A 54 2.241 12.172 -3.186 1.00 0.72 O ATOM 762 CB LYS A 54 1.107 12.197 -0.186 1.00 0.61 C ATOM 763 CG LYS A 54 2.145 13.310 -0.205 1.00 0.85 C ATOM 764 CD LYS A 54 1.818 14.416 0.786 1.00 1.15 C ATOM 765 CE LYS A 54 2.919 15.463 0.823 1.00 1.15 C ATOM 766 NZ LYS A 54 3.073 16.169 -0.478 1.00 1.75 N ATOM 0 H LYS A 54 3.463 11.077 -1.442 1.00 0.46 H new ATOM 0 HA LYS A 54 0.657 10.295 -1.092 1.00 0.49 H new ATOM 0 HB2 LYS A 54 0.123 12.623 -0.380 1.00 0.61 H new ATOM 0 HB3 LYS A 54 1.073 11.757 0.811 1.00 0.61 H new ATOM 0 HG2 LYS A 54 3.125 12.894 0.027 1.00 0.85 H new ATOM 0 HG3 LYS A 54 2.207 13.730 -1.209 1.00 0.85 H new ATOM 0 HD2 LYS A 54 0.874 14.887 0.511 1.00 1.15 H new ATOM 0 HD3 LYS A 54 1.684 13.990 1.780 1.00 1.15 H new ATOM 0 HE2 LYS A 54 2.699 16.190 1.604 1.00 1.15 H new ATOM 0 HE3 LYS A 54 3.862 14.986 1.088 1.00 1.15 H new ATOM 0 HZ1 LYS A 54 3.946 16.734 -0.465 1.00 1.75 H new ATOM 0 HZ2 LYS A 54 3.123 15.471 -1.248 1.00 1.75 H new ATOM 0 HZ3 LYS A 54 2.257 16.796 -0.632 1.00 1.75 H new ATOM 780 N ASP A 55 0.083 11.558 -3.194 1.00 0.48 N ATOM 781 CA ASP A 55 -0.224 12.220 -4.450 1.00 0.51 C ATOM 782 C ASP A 55 -1.294 13.266 -4.204 1.00 0.60 C ATOM 783 O ASP A 55 -2.284 12.996 -3.527 1.00 0.72 O ATOM 784 CB ASP A 55 -0.692 11.223 -5.512 1.00 0.49 C ATOM 785 CG ASP A 55 -1.153 11.909 -6.783 1.00 0.90 C ATOM 786 OD1 ASP A 55 -0.307 12.498 -7.479 1.00 1.35 O ATOM 787 OD2 ASP A 55 -2.357 11.842 -7.108 1.00 1.29 O ATOM 0 H ASP A 55 -0.689 11.017 -2.804 1.00 0.48 H new ATOM 0 HA ASP A 55 0.683 12.693 -4.827 1.00 0.51 H new ATOM 0 HB2 ASP A 55 0.122 10.537 -5.747 1.00 0.49 H new ATOM 0 HB3 ASP A 55 -1.508 10.623 -5.109 1.00 0.49 H new ATOM 792 N THR A 56 -1.087 14.458 -4.730 1.00 0.67 N ATOM 793 CA THR A 56 -2.013 15.551 -4.509 1.00 0.78 C ATOM 794 C THR A 56 -2.950 15.708 -5.692 1.00 0.75 C ATOM 795 O THR A 56 -3.746 16.648 -5.754 1.00 0.78 O ATOM 796 CB THR A 56 -1.266 16.869 -4.247 1.00 0.98 C ATOM 797 OG1 THR A 56 -0.064 16.918 -5.036 1.00 1.50 O ATOM 798 CG2 THR A 56 -0.920 17.009 -2.771 1.00 1.52 C ATOM 0 H THR A 56 -0.285 14.694 -5.314 1.00 0.67 H new ATOM 0 HA THR A 56 -2.602 15.311 -3.624 1.00 0.78 H new ATOM 0 HB THR A 56 -1.918 17.695 -4.530 1.00 0.98 H new ATOM 0 HG1 THR A 56 0.405 17.761 -4.865 1.00 1.50 H new ATOM 0 HG21 THR A 56 -0.392 17.949 -2.609 1.00 1.52 H new ATOM 0 HG22 THR A 56 -1.836 17.001 -2.180 1.00 1.52 H new ATOM 0 HG23 THR A 56 -0.284 16.178 -2.466 1.00 1.52 H new ATOM 806 N THR A 57 -2.851 14.778 -6.627 1.00 0.76 N ATOM 807 CA THR A 57 -3.702 14.802 -7.799 1.00 0.79 C ATOM 808 C THR A 57 -4.991 14.027 -7.533 1.00 0.74 C ATOM 809 O THR A 57 -6.079 14.593 -7.642 1.00 1.04 O ATOM 810 CB THR A 57 -2.977 14.188 -9.009 1.00 0.89 C ATOM 811 OG1 THR A 57 -1.591 14.569 -8.994 1.00 1.00 O ATOM 812 CG2 THR A 57 -3.615 14.645 -10.308 1.00 1.05 C ATOM 0 H THR A 57 -2.191 14.001 -6.596 1.00 0.76 H new ATOM 0 HA THR A 57 -3.944 15.841 -8.021 1.00 0.79 H new ATOM 0 HB THR A 57 -3.059 13.103 -8.943 1.00 0.89 H new ATOM 0 HG1 THR A 57 -1.078 13.915 -8.475 1.00 1.00 H new ATOM 0 HG21 THR A 57 -3.086 14.198 -11.150 1.00 1.05 H new ATOM 0 HG22 THR A 57 -4.659 14.334 -10.330 1.00 1.05 H new ATOM 0 HG23 THR A 57 -3.558 15.731 -10.379 1.00 1.05 H new ATOM 820 N ASN A 58 -4.837 12.748 -7.146 1.00 0.65 N ATOM 821 CA ASN A 58 -5.954 11.862 -6.755 1.00 0.70 C ATOM 822 C ASN A 58 -5.578 10.384 -6.894 1.00 0.59 C ATOM 823 O ASN A 58 -6.452 9.518 -6.805 1.00 0.66 O ATOM 824 CB ASN A 58 -7.247 12.102 -7.570 1.00 0.95 C ATOM 825 CG ASN A 58 -7.105 11.830 -9.062 1.00 1.91 C ATOM 826 OD1 ASN A 58 -7.237 10.695 -9.520 1.00 2.73 O ATOM 827 ND2 ASN A 58 -6.880 12.880 -9.837 1.00 2.46 N ATOM 0 H ASN A 58 -3.925 12.294 -7.095 1.00 0.65 H new ATOM 0 HA ASN A 58 -6.150 12.111 -5.712 1.00 0.70 H new ATOM 0 HB2 ASN A 58 -8.038 11.467 -7.170 1.00 0.95 H new ATOM 0 HB3 ASN A 58 -7.565 13.135 -7.429 1.00 0.95 H new ATOM 0 HD21 ASN A 58 -6.811 12.762 -10.848 1.00 2.46 H new ATOM 0 HD22 ASN A 58 -6.776 13.806 -9.423 1.00 2.46 H new ATOM 834 N LYS A 59 -4.295 10.073 -7.096 1.00 0.52 N ATOM 835 CA LYS A 59 -3.923 8.691 -7.367 1.00 0.51 C ATOM 836 C LYS A 59 -2.493 8.342 -6.910 1.00 0.45 C ATOM 837 O LYS A 59 -1.507 8.551 -7.615 1.00 0.48 O ATOM 838 CB LYS A 59 -4.159 8.349 -8.860 1.00 0.58 C ATOM 839 CG LYS A 59 -3.081 8.787 -9.855 1.00 0.83 C ATOM 840 CD LYS A 59 -2.832 10.287 -9.853 1.00 0.64 C ATOM 841 CE LYS A 59 -4.026 11.062 -10.374 1.00 1.53 C ATOM 842 NZ LYS A 59 -4.380 10.688 -11.772 1.00 2.11 N ATOM 0 H LYS A 59 -3.522 10.738 -7.078 1.00 0.52 H new ATOM 0 HA LYS A 59 -4.576 8.061 -6.763 1.00 0.51 H new ATOM 0 HB2 LYS A 59 -4.279 7.269 -8.945 1.00 0.58 H new ATOM 0 HB3 LYS A 59 -5.104 8.799 -9.165 1.00 0.58 H new ATOM 0 HG2 LYS A 59 -2.150 8.271 -9.621 1.00 0.83 H new ATOM 0 HG3 LYS A 59 -3.374 8.476 -10.858 1.00 0.83 H new ATOM 0 HD2 LYS A 59 -2.601 10.615 -8.839 1.00 0.64 H new ATOM 0 HD3 LYS A 59 -1.959 10.510 -10.467 1.00 0.64 H new ATOM 0 HE2 LYS A 59 -4.883 10.883 -9.725 1.00 1.53 H new ATOM 0 HE3 LYS A 59 -3.810 12.129 -10.330 1.00 1.53 H new ATOM 0 HZ1 LYS A 59 -5.034 11.394 -12.165 1.00 2.11 H new ATOM 0 HZ2 LYS A 59 -3.517 10.655 -12.352 1.00 2.11 H new ATOM 0 HZ3 LYS A 59 -4.836 9.753 -11.776 1.00 2.11 H new ATOM 856 N LYS A 60 -2.385 7.841 -5.692 1.00 0.41 N ATOM 857 CA LYS A 60 -1.158 7.191 -5.240 1.00 0.38 C ATOM 858 C LYS A 60 -1.495 5.980 -4.384 1.00 0.38 C ATOM 859 O LYS A 60 -2.212 6.098 -3.392 1.00 0.41 O ATOM 860 CB LYS A 60 -0.287 8.146 -4.426 1.00 0.41 C ATOM 861 CG LYS A 60 1.101 7.589 -4.094 1.00 0.45 C ATOM 862 CD LYS A 60 2.043 7.670 -5.283 1.00 1.22 C ATOM 863 CE LYS A 60 2.292 9.113 -5.696 1.00 2.18 C ATOM 864 NZ LYS A 60 3.338 9.227 -6.743 1.00 3.14 N ATOM 0 H LYS A 60 -3.129 7.870 -4.995 1.00 0.41 H new ATOM 0 HA LYS A 60 -0.604 6.882 -6.126 1.00 0.38 H new ATOM 0 HB2 LYS A 60 -0.171 9.078 -4.980 1.00 0.41 H new ATOM 0 HB3 LYS A 60 -0.802 8.389 -3.497 1.00 0.41 H new ATOM 0 HG2 LYS A 60 1.524 8.144 -3.257 1.00 0.45 H new ATOM 0 HG3 LYS A 60 1.009 6.551 -3.774 1.00 0.45 H new ATOM 0 HD2 LYS A 60 2.990 7.193 -5.032 1.00 1.22 H new ATOM 0 HD3 LYS A 60 1.621 7.117 -6.122 1.00 1.22 H new ATOM 0 HE2 LYS A 60 1.363 9.548 -6.065 1.00 2.18 H new ATOM 0 HE3 LYS A 60 2.591 9.692 -4.822 1.00 2.18 H new ATOM 0 HZ1 LYS A 60 3.073 9.972 -7.419 1.00 3.14 H new ATOM 0 HZ2 LYS A 60 4.247 9.469 -6.300 1.00 3.14 H new ATOM 0 HZ3 LYS A 60 3.427 8.320 -7.245 1.00 3.14 H new ATOM 878 N ILE A 61 -0.987 4.823 -4.777 1.00 0.37 N ATOM 879 CA ILE A 61 -1.145 3.610 -3.985 1.00 0.38 C ATOM 880 C ILE A 61 0.166 2.842 -3.940 1.00 0.38 C ATOM 881 O ILE A 61 0.782 2.576 -4.970 1.00 0.45 O ATOM 882 CB ILE A 61 -2.270 2.685 -4.515 1.00 0.45 C ATOM 883 CG1 ILE A 61 -2.054 2.322 -5.987 1.00 0.49 C ATOM 884 CG2 ILE A 61 -3.626 3.336 -4.317 1.00 0.47 C ATOM 885 CD1 ILE A 61 -3.195 1.530 -6.594 1.00 0.55 C ATOM 0 H ILE A 61 -0.460 4.696 -5.641 1.00 0.37 H new ATOM 0 HA ILE A 61 -1.432 3.926 -2.982 1.00 0.38 H new ATOM 0 HB ILE A 61 -2.238 1.759 -3.941 1.00 0.45 H new ATOM 0 HG12 ILE A 61 -1.914 3.238 -6.561 1.00 0.49 H new ATOM 0 HG13 ILE A 61 -1.134 1.745 -6.078 1.00 0.49 H new ATOM 0 HG21 ILE A 61 -4.406 2.674 -4.694 1.00 0.47 H new ATOM 0 HG22 ILE A 61 -3.789 3.521 -3.255 1.00 0.47 H new ATOM 0 HG23 ILE A 61 -3.659 4.281 -4.859 1.00 0.47 H new ATOM 0 HD11 ILE A 61 -2.970 1.310 -7.638 1.00 0.55 H new ATOM 0 HD12 ILE A 61 -3.322 0.597 -6.046 1.00 0.55 H new ATOM 0 HD13 ILE A 61 -4.114 2.113 -6.536 1.00 0.55 H new ATOM 897 N THR A 62 0.608 2.516 -2.747 1.00 0.39 N ATOM 898 CA THR A 62 1.821 1.744 -2.580 1.00 0.45 C ATOM 899 C THR A 62 1.519 0.254 -2.597 1.00 0.50 C ATOM 900 O THR A 62 0.775 -0.222 -1.744 1.00 0.62 O ATOM 901 CB THR A 62 2.540 2.115 -1.276 1.00 0.56 C ATOM 902 OG1 THR A 62 3.180 3.380 -1.421 1.00 0.84 O ATOM 903 CG2 THR A 62 3.558 1.063 -0.888 1.00 0.84 C ATOM 0 H THR A 62 0.145 2.773 -1.875 1.00 0.39 H new ATOM 0 HA THR A 62 2.478 1.981 -3.417 1.00 0.45 H new ATOM 0 HB THR A 62 1.795 2.171 -0.482 1.00 0.56 H new ATOM 0 HG1 THR A 62 4.146 3.274 -1.296 1.00 0.84 H new ATOM 0 HG21 THR A 62 4.049 1.357 0.040 1.00 0.84 H new ATOM 0 HG22 THR A 62 3.056 0.106 -0.746 1.00 0.84 H new ATOM 0 HG23 THR A 62 4.303 0.968 -1.678 1.00 0.84 H new ATOM 911 N ASN A 63 2.087 -0.441 -3.597 1.00 0.52 N ATOM 912 CA ASN A 63 1.951 -1.900 -3.773 1.00 0.61 C ATOM 913 C ASN A 63 2.122 -2.324 -5.241 1.00 0.76 C ATOM 914 O ASN A 63 2.868 -3.257 -5.525 1.00 1.31 O ATOM 915 CB ASN A 63 0.596 -2.418 -3.284 1.00 1.03 C ATOM 916 CG ASN A 63 0.499 -3.930 -3.286 1.00 1.80 C ATOM 917 OD1 ASN A 63 1.501 -4.633 -3.192 1.00 2.50 O ATOM 918 ND2 ASN A 63 -0.720 -4.433 -3.357 1.00 2.26 N ATOM 0 H ASN A 63 2.661 -0.001 -4.316 1.00 0.52 H new ATOM 0 HA ASN A 63 2.747 -2.337 -3.170 1.00 0.61 H new ATOM 0 HB2 ASN A 63 0.417 -2.050 -2.274 1.00 1.03 H new ATOM 0 HB3 ASN A 63 -0.192 -2.009 -3.917 1.00 1.03 H new ATOM 0 HD21 ASN A 63 -0.857 -5.444 -3.334 1.00 2.26 H new ATOM 0 HD22 ASN A 63 -1.525 -3.811 -3.434 1.00 2.26 H new ATOM 925 N PRO A 64 1.454 -1.645 -6.208 1.00 0.64 N ATOM 926 CA PRO A 64 1.318 -2.164 -7.573 1.00 0.97 C ATOM 927 C PRO A 64 2.620 -2.137 -8.376 1.00 1.15 C ATOM 928 O PRO A 64 3.494 -1.300 -8.150 1.00 1.75 O ATOM 929 CB PRO A 64 0.273 -1.241 -8.223 1.00 0.91 C ATOM 930 CG PRO A 64 -0.250 -0.372 -7.127 1.00 0.85 C ATOM 931 CD PRO A 64 0.826 -0.322 -6.089 1.00 0.60 C ATOM 0 HA PRO A 64 1.032 -3.216 -7.555 1.00 0.97 H new ATOM 0 HB2 PRO A 64 0.721 -0.642 -9.015 1.00 0.91 H new ATOM 0 HB3 PRO A 64 -0.530 -1.821 -8.678 1.00 0.91 H new ATOM 0 HG2 PRO A 64 -0.481 0.627 -7.498 1.00 0.85 H new ATOM 0 HG3 PRO A 64 -1.172 -0.779 -6.713 1.00 0.85 H new ATOM 0 HD2 PRO A 64 1.537 0.482 -6.281 1.00 0.60 H new ATOM 0 HD3 PRO A 64 0.419 -0.156 -5.092 1.00 0.60 H new ATOM 939 N PHE A 65 2.715 -3.051 -9.333 1.00 1.16 N ATOM 940 CA PHE A 65 3.884 -3.167 -10.192 1.00 1.47 C ATOM 941 C PHE A 65 3.469 -3.028 -11.655 1.00 1.30 C ATOM 942 O PHE A 65 3.485 -4.000 -12.407 1.00 1.80 O ATOM 943 CB PHE A 65 4.575 -4.526 -10.001 1.00 2.09 C ATOM 944 CG PHE A 65 4.932 -4.863 -8.583 1.00 2.12 C ATOM 945 CD1 PHE A 65 6.138 -4.440 -8.042 1.00 2.65 C ATOM 946 CD2 PHE A 65 4.061 -5.585 -7.787 1.00 2.10 C ATOM 947 CE1 PHE A 65 6.464 -4.732 -6.733 1.00 3.23 C ATOM 948 CE2 PHE A 65 4.381 -5.878 -6.476 1.00 2.47 C ATOM 949 CZ PHE A 65 5.601 -5.513 -5.968 1.00 3.09 C ATOM 0 H PHE A 65 1.983 -3.732 -9.535 1.00 1.16 H new ATOM 0 HA PHE A 65 4.580 -2.373 -9.921 1.00 1.47 H new ATOM 0 HB2 PHE A 65 3.922 -5.307 -10.390 1.00 2.09 H new ATOM 0 HB3 PHE A 65 5.484 -4.542 -10.602 1.00 2.09 H new ATOM 0 HD1 PHE A 65 6.829 -3.876 -8.652 1.00 2.65 H new ATOM 0 HD2 PHE A 65 3.120 -5.923 -8.195 1.00 2.10 H new ATOM 0 HE1 PHE A 65 7.382 -4.357 -6.305 1.00 3.23 H new ATOM 0 HE2 PHE A 65 3.669 -6.395 -5.850 1.00 2.47 H new ATOM 0 HZ PHE A 65 5.892 -5.830 -4.977 1.00 3.09 H new ATOM 959 N GLY A 66 3.069 -1.827 -12.052 1.00 0.85 N ATOM 960 CA GLY A 66 2.621 -1.625 -13.419 1.00 0.86 C ATOM 961 C GLY A 66 2.332 -0.173 -13.724 1.00 0.86 C ATOM 962 O GLY A 66 1.306 0.158 -14.320 1.00 1.21 O ATOM 0 H GLY A 66 3.046 -0.996 -11.460 1.00 0.85 H new ATOM 0 HA2 GLY A 66 3.383 -1.993 -14.106 1.00 0.86 H new ATOM 0 HA3 GLY A 66 1.722 -2.216 -13.595 1.00 0.86 H new ATOM 966 N GLY A 67 3.227 0.693 -13.294 1.00 0.70 N ATOM 967 CA GLY A 67 3.060 2.108 -13.480 1.00 0.70 C ATOM 968 C GLY A 67 4.304 2.815 -13.028 1.00 0.65 C ATOM 969 O GLY A 67 5.401 2.260 -13.124 1.00 0.67 O ATOM 0 H GLY A 67 4.085 0.431 -12.809 1.00 0.70 H new ATOM 0 HA2 GLY A 67 2.863 2.328 -14.529 1.00 0.70 H new ATOM 0 HA3 GLY A 67 2.199 2.462 -12.913 1.00 0.70 H new ATOM 973 N GLU A 68 4.157 4.009 -12.506 1.00 0.63 N ATOM 974 CA GLU A 68 5.287 4.689 -11.918 1.00 0.64 C ATOM 975 C GLU A 68 5.399 4.283 -10.457 1.00 0.58 C ATOM 976 O GLU A 68 4.672 4.787 -9.603 1.00 0.59 O ATOM 977 CB GLU A 68 5.090 6.189 -12.034 1.00 0.73 C ATOM 978 CG GLU A 68 4.980 6.688 -13.466 1.00 1.36 C ATOM 979 CD GLU A 68 6.229 6.425 -14.282 1.00 1.84 C ATOM 980 OE1 GLU A 68 6.343 5.324 -14.860 1.00 2.78 O ATOM 981 OE2 GLU A 68 7.111 7.310 -14.339 1.00 1.99 O ATOM 0 H GLU A 68 3.278 4.525 -12.476 1.00 0.63 H new ATOM 0 HA GLU A 68 6.204 4.415 -12.440 1.00 0.64 H new ATOM 0 HB2 GLU A 68 4.187 6.470 -11.492 1.00 0.73 H new ATOM 0 HB3 GLU A 68 5.924 6.694 -11.547 1.00 0.73 H new ATOM 0 HG2 GLU A 68 4.129 6.206 -13.948 1.00 1.36 H new ATOM 0 HG3 GLU A 68 4.777 7.759 -13.457 1.00 1.36 H new ATOM 988 N LEU A 69 6.303 3.358 -10.181 1.00 0.57 N ATOM 989 CA LEU A 69 6.469 2.830 -8.834 1.00 0.57 C ATOM 990 C LEU A 69 7.818 3.221 -8.245 1.00 0.55 C ATOM 991 O LEU A 69 8.825 3.303 -8.953 1.00 0.60 O ATOM 992 CB LEU A 69 6.305 1.299 -8.806 1.00 0.69 C ATOM 993 CG LEU A 69 7.480 0.460 -9.341 1.00 0.83 C ATOM 994 CD1 LEU A 69 7.322 -0.994 -8.923 1.00 1.15 C ATOM 995 CD2 LEU A 69 7.599 0.550 -10.860 1.00 1.17 C ATOM 0 H LEU A 69 6.935 2.955 -10.873 1.00 0.57 H new ATOM 0 HA LEU A 69 5.684 3.272 -8.220 1.00 0.57 H new ATOM 0 HB2 LEU A 69 6.115 0.998 -7.776 1.00 0.69 H new ATOM 0 HB3 LEU A 69 5.416 1.043 -9.382 1.00 0.69 H new ATOM 0 HG LEU A 69 8.394 0.868 -8.909 1.00 0.83 H new ATOM 0 HD11 LEU A 69 8.159 -1.576 -9.308 1.00 1.15 H new ATOM 0 HD12 LEU A 69 7.304 -1.060 -7.835 1.00 1.15 H new ATOM 0 HD13 LEU A 69 6.390 -1.389 -9.326 1.00 1.15 H new ATOM 0 HD21 LEU A 69 8.440 -0.056 -11.196 1.00 1.17 H new ATOM 0 HD22 LEU A 69 6.681 0.183 -11.319 1.00 1.17 H new ATOM 0 HD23 LEU A 69 7.761 1.588 -11.151 1.00 1.17 H new ATOM 1007 N ASN A 70 7.814 3.489 -6.952 1.00 0.52 N ATOM 1008 CA ASN A 70 9.031 3.803 -6.216 1.00 0.53 C ATOM 1009 C ASN A 70 9.437 2.608 -5.373 1.00 0.49 C ATOM 1010 O ASN A 70 8.652 2.138 -4.554 1.00 0.51 O ATOM 1011 CB ASN A 70 8.790 5.001 -5.296 1.00 0.59 C ATOM 1012 CG ASN A 70 9.992 5.337 -4.437 1.00 0.65 C ATOM 1013 OD1 ASN A 70 11.129 5.335 -4.908 1.00 0.92 O ATOM 1014 ND2 ASN A 70 9.749 5.598 -3.158 1.00 0.73 N ATOM 0 H ASN A 70 6.969 3.496 -6.380 1.00 0.52 H new ATOM 0 HA ASN A 70 9.822 4.043 -6.926 1.00 0.53 H new ATOM 0 HB2 ASN A 70 8.528 5.869 -5.900 1.00 0.59 H new ATOM 0 HB3 ASN A 70 7.936 4.792 -4.651 1.00 0.59 H new ATOM 0 HD21 ASN A 70 10.521 5.807 -2.525 1.00 0.73 H new ATOM 0 HD22 ASN A 70 8.791 5.589 -2.809 1.00 0.73 H new ATOM 1021 N VAL A 71 10.650 2.117 -5.571 1.00 0.51 N ATOM 1022 CA VAL A 71 11.129 0.975 -4.806 1.00 0.52 C ATOM 1023 C VAL A 71 11.659 1.412 -3.443 1.00 0.49 C ATOM 1024 O VAL A 71 12.485 2.321 -3.340 1.00 0.58 O ATOM 1025 CB VAL A 71 12.218 0.179 -5.565 1.00 0.68 C ATOM 1026 CG1 VAL A 71 11.630 -0.479 -6.806 1.00 0.97 C ATOM 1027 CG2 VAL A 71 13.394 1.072 -5.939 1.00 1.02 C ATOM 0 H VAL A 71 11.317 2.487 -6.249 1.00 0.51 H new ATOM 0 HA VAL A 71 10.274 0.315 -4.660 1.00 0.52 H new ATOM 0 HB VAL A 71 12.589 -0.601 -4.900 1.00 0.68 H new ATOM 0 HG11 VAL A 71 12.410 -1.034 -7.327 1.00 0.97 H new ATOM 0 HG12 VAL A 71 10.833 -1.162 -6.513 1.00 0.97 H new ATOM 0 HG13 VAL A 71 11.226 0.287 -7.468 1.00 0.97 H new ATOM 0 HG21 VAL A 71 14.142 0.484 -6.471 1.00 1.02 H new ATOM 0 HG22 VAL A 71 13.046 1.882 -6.580 1.00 1.02 H new ATOM 0 HG23 VAL A 71 13.836 1.489 -5.034 1.00 1.02 H new ATOM 1037 N GLY A 72 11.158 0.774 -2.400 1.00 0.44 N ATOM 1038 CA GLY A 72 11.617 1.062 -1.063 1.00 0.46 C ATOM 1039 C GLY A 72 11.371 -0.096 -0.122 1.00 0.44 C ATOM 1040 O GLY A 72 10.517 -0.937 -0.385 1.00 0.48 O ATOM 0 H GLY A 72 10.436 0.056 -2.458 1.00 0.44 H new ATOM 0 HA2 GLY A 72 12.682 1.291 -1.086 1.00 0.46 H new ATOM 0 HA3 GLY A 72 11.108 1.950 -0.687 1.00 0.46 H new ATOM 1044 N PRO A 73 12.144 -0.191 0.959 1.00 0.53 N ATOM 1045 CA PRO A 73 11.982 -1.205 1.979 1.00 0.54 C ATOM 1046 C PRO A 73 11.316 -0.672 3.245 1.00 0.49 C ATOM 1047 O PRO A 73 10.906 0.483 3.309 1.00 0.59 O ATOM 1048 CB PRO A 73 13.431 -1.544 2.266 1.00 0.72 C ATOM 1049 CG PRO A 73 14.142 -0.232 2.162 1.00 1.00 C ATOM 1050 CD PRO A 73 13.300 0.652 1.262 1.00 0.76 C ATOM 0 HA PRO A 73 11.348 -2.034 1.664 1.00 0.54 H new ATOM 0 HB2 PRO A 73 13.549 -1.983 3.257 1.00 0.72 H new ATOM 0 HB3 PRO A 73 13.821 -2.266 1.549 1.00 0.72 H new ATOM 0 HG2 PRO A 73 14.263 0.221 3.146 1.00 1.00 H new ATOM 0 HG3 PRO A 73 15.141 -0.366 1.748 1.00 1.00 H new ATOM 0 HD2 PRO A 73 13.006 1.574 1.763 1.00 0.76 H new ATOM 0 HD3 PRO A 73 13.839 0.938 0.359 1.00 0.76 H new ATOM 1058 N ALA A 74 11.226 -1.516 4.251 1.00 0.51 N ATOM 1059 CA ALA A 74 10.711 -1.105 5.547 1.00 0.61 C ATOM 1060 C ALA A 74 11.805 -1.203 6.603 1.00 0.84 C ATOM 1061 O ALA A 74 12.981 -1.372 6.274 1.00 1.58 O ATOM 1062 CB ALA A 74 9.516 -1.954 5.935 1.00 0.86 C ATOM 0 H ALA A 74 11.503 -2.496 4.199 1.00 0.51 H new ATOM 0 HA ALA A 74 10.386 -0.067 5.481 1.00 0.61 H new ATOM 0 HB1 ALA A 74 9.142 -1.634 6.908 1.00 0.86 H new ATOM 0 HB2 ALA A 74 8.730 -1.839 5.189 1.00 0.86 H new ATOM 0 HB3 ALA A 74 9.815 -3.001 5.988 1.00 0.86 H new ATOM 1068 N ASN A 75 11.419 -1.088 7.868 1.00 0.62 N ATOM 1069 CA ASN A 75 12.374 -1.177 8.964 1.00 0.74 C ATOM 1070 C ASN A 75 12.800 -2.623 9.212 1.00 0.76 C ATOM 1071 O ASN A 75 13.994 -2.924 9.238 1.00 0.85 O ATOM 1072 CB ASN A 75 11.809 -0.559 10.254 1.00 0.99 C ATOM 1073 CG ASN A 75 10.546 -1.244 10.755 1.00 1.38 C ATOM 1074 OD1 ASN A 75 9.711 -1.701 9.973 1.00 2.09 O ATOM 1075 ND2 ASN A 75 10.416 -1.346 12.067 1.00 1.58 N ATOM 0 H ASN A 75 10.454 -0.933 8.159 1.00 0.62 H new ATOM 0 HA ASN A 75 13.254 -0.605 8.670 1.00 0.74 H new ATOM 0 HB2 ASN A 75 12.570 -0.605 11.033 1.00 0.99 H new ATOM 0 HB3 ASN A 75 11.595 0.495 10.079 1.00 0.99 H new ATOM 0 HD21 ASN A 75 9.602 -1.816 12.464 1.00 1.58 H new ATOM 0 HD22 ASN A 75 11.129 -0.955 12.682 1.00 1.58 H new ATOM 1082 N ASN A 76 11.834 -3.523 9.382 1.00 0.75 N ATOM 1083 CA ASN A 76 12.151 -4.914 9.673 1.00 0.82 C ATOM 1084 C ASN A 76 11.124 -5.851 9.048 1.00 0.77 C ATOM 1085 O ASN A 76 9.935 -5.528 8.986 1.00 0.81 O ATOM 1086 CB ASN A 76 12.208 -5.143 11.182 1.00 1.02 C ATOM 1087 CG ASN A 76 12.911 -6.438 11.533 1.00 1.32 C ATOM 1088 OD1 ASN A 76 12.295 -7.502 11.580 1.00 2.08 O ATOM 1089 ND2 ASN A 76 14.206 -6.356 11.779 1.00 1.38 N ATOM 0 H ASN A 76 10.837 -3.315 9.324 1.00 0.75 H new ATOM 0 HA ASN A 76 13.128 -5.132 9.241 1.00 0.82 H new ATOM 0 HB2 ASN A 76 12.726 -4.309 11.656 1.00 1.02 H new ATOM 0 HB3 ASN A 76 11.195 -5.159 11.585 1.00 1.02 H new ATOM 0 HD21 ASN A 76 14.734 -7.195 12.019 1.00 1.38 H new ATOM 0 HD22 ASN A 76 14.678 -5.453 11.729 1.00 1.38 H new ATOM 1096 N ASN A 77 11.596 -7.015 8.606 1.00 0.80 N ATOM 1097 CA ASN A 77 10.754 -8.008 7.939 1.00 0.86 C ATOM 1098 C ASN A 77 9.684 -8.575 8.874 1.00 0.95 C ATOM 1099 O ASN A 77 8.623 -9.002 8.418 1.00 1.05 O ATOM 1100 CB ASN A 77 11.623 -9.143 7.371 1.00 0.95 C ATOM 1101 CG ASN A 77 10.808 -10.288 6.790 1.00 1.40 C ATOM 1102 OD1 ASN A 77 10.371 -10.238 5.640 1.00 2.28 O ATOM 1103 ND2 ASN A 77 10.629 -11.345 7.570 1.00 1.72 N ATOM 0 H ASN A 77 12.572 -7.297 8.700 1.00 0.80 H new ATOM 0 HA ASN A 77 10.237 -7.505 7.122 1.00 0.86 H new ATOM 0 HB2 ASN A 77 12.275 -8.740 6.596 1.00 0.95 H new ATOM 0 HB3 ASN A 77 12.268 -9.529 8.161 1.00 0.95 H new ATOM 0 HD21 ASN A 77 10.114 -12.154 7.222 1.00 1.72 H new ATOM 0 HD22 ASN A 77 11.006 -11.349 8.518 1.00 1.72 H new ATOM 1110 N THR A 78 9.951 -8.573 10.177 1.00 1.02 N ATOM 1111 CA THR A 78 8.987 -9.088 11.144 1.00 1.22 C ATOM 1112 C THR A 78 7.703 -8.264 11.118 1.00 1.16 C ATOM 1113 O THR A 78 6.604 -8.800 11.269 1.00 1.41 O ATOM 1114 CB THR A 78 9.557 -9.105 12.580 1.00 1.44 C ATOM 1115 OG1 THR A 78 10.077 -7.815 12.927 1.00 1.95 O ATOM 1116 CG2 THR A 78 10.653 -10.150 12.718 1.00 1.88 C ATOM 0 H THR A 78 10.818 -8.224 10.585 1.00 1.02 H new ATOM 0 HA THR A 78 8.768 -10.115 10.853 1.00 1.22 H new ATOM 0 HB THR A 78 8.743 -9.360 13.259 1.00 1.44 H new ATOM 0 HG1 THR A 78 10.997 -7.734 12.599 1.00 1.95 H new ATOM 0 HG21 THR A 78 11.037 -10.142 13.738 1.00 1.88 H new ATOM 0 HG22 THR A 78 10.247 -11.136 12.492 1.00 1.88 H new ATOM 0 HG23 THR A 78 11.462 -9.923 12.024 1.00 1.88 H new ATOM 1124 N ALA A 79 7.853 -6.965 10.899 1.00 0.91 N ATOM 1125 CA ALA A 79 6.719 -6.062 10.848 1.00 0.86 C ATOM 1126 C ALA A 79 6.243 -5.870 9.414 1.00 0.73 C ATOM 1127 O ALA A 79 5.086 -6.128 9.092 1.00 0.77 O ATOM 1128 CB ALA A 79 7.083 -4.724 11.472 1.00 0.88 C ATOM 0 H ALA A 79 8.756 -6.514 10.753 1.00 0.91 H new ATOM 0 HA ALA A 79 5.903 -6.504 11.419 1.00 0.86 H new ATOM 0 HB1 ALA A 79 6.223 -4.056 11.427 1.00 0.88 H new ATOM 0 HB2 ALA A 79 7.372 -4.874 12.512 1.00 0.88 H new ATOM 0 HB3 ALA A 79 7.915 -4.282 10.925 1.00 0.88 H new ATOM 1134 N PHE A 80 7.149 -5.433 8.552 1.00 0.65 N ATOM 1135 CA PHE A 80 6.813 -5.136 7.170 1.00 0.60 C ATOM 1136 C PHE A 80 7.809 -5.817 6.240 1.00 0.72 C ATOM 1137 O PHE A 80 8.188 -6.960 6.469 1.00 1.37 O ATOM 1138 CB PHE A 80 6.816 -3.624 6.944 1.00 0.58 C ATOM 1139 CG PHE A 80 5.966 -2.870 7.921 1.00 0.58 C ATOM 1140 CD1 PHE A 80 4.591 -3.015 7.910 1.00 0.56 C ATOM 1141 CD2 PHE A 80 6.543 -2.031 8.857 1.00 0.72 C ATOM 1142 CE1 PHE A 80 3.806 -2.337 8.817 1.00 0.65 C ATOM 1143 CE2 PHE A 80 5.763 -1.349 9.769 1.00 0.82 C ATOM 1144 CZ PHE A 80 4.390 -1.503 9.748 1.00 0.77 C ATOM 0 H PHE A 80 8.129 -5.276 8.789 1.00 0.65 H new ATOM 0 HA PHE A 80 5.815 -5.516 6.953 1.00 0.60 H new ATOM 0 HB2 PHE A 80 7.841 -3.257 7.008 1.00 0.58 H new ATOM 0 HB3 PHE A 80 6.465 -3.415 5.933 1.00 0.58 H new ATOM 0 HD1 PHE A 80 4.128 -3.666 7.183 1.00 0.56 H new ATOM 0 HD2 PHE A 80 7.616 -1.908 8.875 1.00 0.72 H new ATOM 0 HE1 PHE A 80 2.733 -2.459 8.799 1.00 0.65 H new ATOM 0 HE2 PHE A 80 6.224 -0.697 10.496 1.00 0.82 H new ATOM 0 HZ PHE A 80 3.775 -0.971 10.459 1.00 0.77 H new ATOM 1154 N GLY A 81 8.216 -5.129 5.186 1.00 0.52 N ATOM 1155 CA GLY A 81 9.207 -5.683 4.290 1.00 0.57 C ATOM 1156 C GLY A 81 9.635 -4.690 3.237 1.00 0.50 C ATOM 1157 O GLY A 81 10.764 -4.204 3.251 1.00 0.54 O ATOM 0 H GLY A 81 7.879 -4.199 4.935 1.00 0.52 H new ATOM 0 HA2 GLY A 81 10.078 -6.001 4.864 1.00 0.57 H new ATOM 0 HA3 GLY A 81 8.802 -6.572 3.807 1.00 0.57 H new ATOM 1161 N TYR A 82 8.717 -4.371 2.342 1.00 0.45 N ATOM 1162 CA TYR A 82 9.002 -3.484 1.228 1.00 0.44 C ATOM 1163 C TYR A 82 7.755 -2.689 0.864 1.00 0.41 C ATOM 1164 O TYR A 82 6.641 -3.085 1.209 1.00 0.46 O ATOM 1165 CB TYR A 82 9.480 -4.302 0.019 1.00 0.54 C ATOM 1166 CG TYR A 82 8.476 -5.340 -0.448 1.00 0.84 C ATOM 1167 CD1 TYR A 82 8.365 -6.564 0.197 1.00 1.33 C ATOM 1168 CD2 TYR A 82 7.648 -5.096 -1.535 1.00 1.01 C ATOM 1169 CE1 TYR A 82 7.458 -7.516 -0.227 1.00 1.92 C ATOM 1170 CE2 TYR A 82 6.737 -6.043 -1.966 1.00 1.53 C ATOM 1171 CZ TYR A 82 6.625 -7.235 -1.301 1.00 1.98 C ATOM 1172 OH TYR A 82 5.744 -8.200 -1.732 1.00 2.58 O ATOM 0 H TYR A 82 7.758 -4.717 2.366 1.00 0.45 H new ATOM 0 HA TYR A 82 9.790 -2.789 1.518 1.00 0.44 H new ATOM 0 HB2 TYR A 82 9.698 -3.623 -0.805 1.00 0.54 H new ATOM 0 HB3 TYR A 82 10.414 -4.802 0.276 1.00 0.54 H new ATOM 0 HD1 TYR A 82 8.999 -6.776 1.045 1.00 1.33 H new ATOM 0 HD2 TYR A 82 7.716 -4.151 -2.053 1.00 1.01 H new ATOM 0 HE1 TYR A 82 7.398 -8.471 0.273 1.00 1.92 H new ATOM 0 HE2 TYR A 82 6.115 -5.843 -2.826 1.00 1.53 H new ATOM 0 HH TYR A 82 5.228 -7.856 -2.491 1.00 2.58 H new ATOM 1182 N TYR A 83 7.949 -1.573 0.177 1.00 0.36 N ATOM 1183 CA TYR A 83 6.841 -0.761 -0.293 1.00 0.38 C ATOM 1184 C TYR A 83 7.153 -0.213 -1.684 1.00 0.38 C ATOM 1185 O TYR A 83 8.306 0.087 -1.999 1.00 0.43 O ATOM 1186 CB TYR A 83 6.534 0.383 0.690 1.00 0.39 C ATOM 1187 CG TYR A 83 7.549 1.508 0.723 1.00 0.39 C ATOM 1188 CD1 TYR A 83 7.511 2.539 -0.205 1.00 0.41 C ATOM 1189 CD2 TYR A 83 8.561 1.527 1.678 1.00 0.50 C ATOM 1190 CE1 TYR A 83 8.447 3.558 -0.181 1.00 0.49 C ATOM 1191 CE2 TYR A 83 9.497 2.542 1.708 1.00 0.58 C ATOM 1192 CZ TYR A 83 9.391 3.593 0.791 1.00 0.56 C ATOM 1193 OH TYR A 83 10.369 4.564 0.804 1.00 0.68 O ATOM 0 H TYR A 83 8.870 -1.209 -0.068 1.00 0.36 H new ATOM 0 HA TYR A 83 5.952 -1.389 -0.353 1.00 0.38 H new ATOM 0 HB2 TYR A 83 5.560 0.803 0.438 1.00 0.39 H new ATOM 0 HB3 TYR A 83 6.450 -0.036 1.693 1.00 0.39 H new ATOM 0 HD1 TYR A 83 6.738 2.546 -0.959 1.00 0.41 H new ATOM 0 HD2 TYR A 83 8.615 0.734 2.409 1.00 0.50 H new ATOM 0 HE1 TYR A 83 8.425 4.327 -0.939 1.00 0.49 H new ATOM 0 HE2 TYR A 83 10.300 2.525 2.430 1.00 0.58 H new ATOM 0 HH TYR A 83 10.118 5.289 0.195 1.00 0.68 H new ATOM 1203 N LEU A 84 6.134 -0.131 -2.525 1.00 0.40 N ATOM 1204 CA LEU A 84 6.278 0.445 -3.855 1.00 0.42 C ATOM 1205 C LEU A 84 5.274 1.575 -4.036 1.00 0.43 C ATOM 1206 O LEU A 84 4.102 1.320 -4.303 1.00 0.50 O ATOM 1207 CB LEU A 84 6.046 -0.605 -4.958 1.00 0.51 C ATOM 1208 CG LEU A 84 7.039 -1.774 -5.034 1.00 0.66 C ATOM 1209 CD1 LEU A 84 8.473 -1.273 -5.038 1.00 1.42 C ATOM 1210 CD2 LEU A 84 6.815 -2.761 -3.899 1.00 1.21 C ATOM 0 H LEU A 84 5.192 -0.458 -2.309 1.00 0.40 H new ATOM 0 HA LEU A 84 7.297 0.821 -3.943 1.00 0.42 H new ATOM 0 HB2 LEU A 84 5.046 -1.019 -4.826 1.00 0.51 H new ATOM 0 HB3 LEU A 84 6.054 -0.092 -5.920 1.00 0.51 H new ATOM 0 HG LEU A 84 6.861 -2.297 -5.973 1.00 0.66 H new ATOM 0 HD11 LEU A 84 9.155 -2.122 -5.092 1.00 1.42 H new ATOM 0 HD12 LEU A 84 8.630 -0.626 -5.901 1.00 1.42 H new ATOM 0 HD13 LEU A 84 8.665 -0.712 -4.124 1.00 1.42 H new ATOM 0 HD21 LEU A 84 7.533 -3.577 -3.980 1.00 1.21 H new ATOM 0 HD22 LEU A 84 6.949 -2.253 -2.944 1.00 1.21 H new ATOM 0 HD23 LEU A 84 5.803 -3.161 -3.959 1.00 1.21 H new ATOM 1222 N THR A 85 5.725 2.819 -3.927 1.00 0.43 N ATOM 1223 CA THR A 85 4.822 3.950 -4.012 1.00 0.47 C ATOM 1224 C THR A 85 4.547 4.261 -5.471 1.00 0.45 C ATOM 1225 O THR A 85 5.362 4.879 -6.159 1.00 0.50 O ATOM 1226 CB THR A 85 5.418 5.198 -3.335 1.00 0.58 C ATOM 1227 OG1 THR A 85 6.329 4.811 -2.295 1.00 0.75 O ATOM 1228 CG2 THR A 85 4.318 6.065 -2.749 1.00 0.98 C ATOM 0 H THR A 85 6.704 3.065 -3.781 1.00 0.43 H new ATOM 0 HA THR A 85 3.899 3.688 -3.495 1.00 0.47 H new ATOM 0 HB THR A 85 5.955 5.771 -4.090 1.00 0.58 H new ATOM 0 HG1 THR A 85 5.917 4.975 -1.421 1.00 0.75 H new ATOM 0 HG21 THR A 85 4.759 6.942 -2.275 1.00 0.98 H new ATOM 0 HG22 THR A 85 3.643 6.383 -3.544 1.00 0.98 H new ATOM 0 HG23 THR A 85 3.761 5.493 -2.007 1.00 0.98 H new ATOM 1236 N LEU A 86 3.405 3.794 -5.941 1.00 0.43 N ATOM 1237 CA LEU A 86 3.063 3.876 -7.345 1.00 0.43 C ATOM 1238 C LEU A 86 1.852 4.767 -7.560 1.00 0.45 C ATOM 1239 O LEU A 86 0.860 4.676 -6.834 1.00 0.50 O ATOM 1240 CB LEU A 86 2.804 2.461 -7.887 1.00 0.46 C ATOM 1241 CG LEU A 86 2.326 2.373 -9.338 1.00 0.63 C ATOM 1242 CD1 LEU A 86 2.910 1.143 -10.009 1.00 1.23 C ATOM 1243 CD2 LEU A 86 0.808 2.319 -9.388 1.00 1.35 C ATOM 0 H LEU A 86 2.693 3.350 -5.362 1.00 0.43 H new ATOM 0 HA LEU A 86 3.896 4.322 -7.888 1.00 0.43 H new ATOM 0 HB2 LEU A 86 3.724 1.884 -7.793 1.00 0.46 H new ATOM 0 HB3 LEU A 86 2.060 1.981 -7.251 1.00 0.46 H new ATOM 0 HG LEU A 86 2.666 3.261 -9.871 1.00 0.63 H new ATOM 0 HD11 LEU A 86 2.562 1.092 -11.041 1.00 1.23 H new ATOM 0 HD12 LEU A 86 3.998 1.203 -9.995 1.00 1.23 H new ATOM 0 HD13 LEU A 86 2.589 0.250 -9.473 1.00 1.23 H new ATOM 0 HD21 LEU A 86 0.480 2.257 -10.426 1.00 1.35 H new ATOM 0 HD22 LEU A 86 0.457 1.443 -8.843 1.00 1.35 H new ATOM 0 HD23 LEU A 86 0.397 3.219 -8.931 1.00 1.35 H new ATOM 1255 N THR A 87 1.934 5.645 -8.543 1.00 0.48 N ATOM 1256 CA THR A 87 0.783 6.433 -8.923 1.00 0.55 C ATOM 1257 C THR A 87 0.023 5.721 -10.039 1.00 0.55 C ATOM 1258 O THR A 87 0.604 5.368 -11.069 1.00 0.56 O ATOM 1259 CB THR A 87 1.186 7.865 -9.362 1.00 0.61 C ATOM 1260 OG1 THR A 87 0.046 8.587 -9.831 1.00 1.21 O ATOM 1261 CG2 THR A 87 2.254 7.843 -10.442 1.00 1.26 C ATOM 0 H THR A 87 2.778 5.827 -9.086 1.00 0.48 H new ATOM 0 HA THR A 87 0.136 6.535 -8.052 1.00 0.55 H new ATOM 0 HB THR A 87 1.597 8.366 -8.486 1.00 0.61 H new ATOM 0 HG1 THR A 87 -0.545 8.791 -9.077 1.00 1.21 H new ATOM 0 HG21 THR A 87 2.509 8.865 -10.722 1.00 1.26 H new ATOM 0 HG22 THR A 87 3.143 7.338 -10.064 1.00 1.26 H new ATOM 0 HG23 THR A 87 1.877 7.310 -11.315 1.00 1.26 H new ATOM 1269 N ARG A 88 -1.273 5.503 -9.791 1.00 0.60 N ATOM 1270 CA ARG A 88 -2.188 4.840 -10.726 1.00 0.67 C ATOM 1271 C ARG A 88 -3.408 4.353 -9.951 1.00 0.71 C ATOM 1272 O ARG A 88 -3.529 3.169 -9.642 1.00 1.02 O ATOM 1273 CB ARG A 88 -1.544 3.636 -11.432 1.00 0.71 C ATOM 1274 CG ARG A 88 -2.287 3.189 -12.680 1.00 0.93 C ATOM 1275 CD ARG A 88 -1.731 1.878 -13.214 1.00 1.05 C ATOM 1276 NE ARG A 88 -2.123 0.739 -12.382 1.00 0.86 N ATOM 1277 CZ ARG A 88 -1.263 -0.057 -11.744 1.00 0.99 C ATOM 1278 NH1 ARG A 88 0.039 0.219 -11.745 1.00 1.06 N ATOM 1279 NH2 ARG A 88 -1.708 -1.114 -11.076 1.00 1.34 N ATOM 0 H ARG A 88 -1.723 5.787 -8.921 1.00 0.60 H new ATOM 0 HA ARG A 88 -2.459 5.566 -11.492 1.00 0.67 H new ATOM 0 HB2 ARG A 88 -0.519 3.890 -11.702 1.00 0.71 H new ATOM 0 HB3 ARG A 88 -1.492 2.802 -10.733 1.00 0.71 H new ATOM 0 HG2 ARG A 88 -3.347 3.071 -12.453 1.00 0.93 H new ATOM 0 HG3 ARG A 88 -2.209 3.959 -13.448 1.00 0.93 H new ATOM 0 HD2 ARG A 88 -2.085 1.722 -14.233 1.00 1.05 H new ATOM 0 HD3 ARG A 88 -0.644 1.937 -13.260 1.00 1.05 H new ATOM 0 HE ARG A 88 -3.119 0.541 -12.284 1.00 0.86 H new ATOM 0 HH11 ARG A 88 0.385 1.044 -12.236 1.00 1.06 H new ATOM 0 HH12 ARG A 88 0.691 -0.394 -11.255 1.00 1.06 H new ATOM 0 HH21 ARG A 88 -2.707 -1.318 -11.050 1.00 1.34 H new ATOM 0 HH22 ARG A 88 -1.051 -1.723 -10.588 1.00 1.34 H new ATOM 1293 N LEU A 89 -4.286 5.273 -9.596 1.00 0.56 N ATOM 1294 CA LEU A 89 -5.454 4.943 -8.796 1.00 0.55 C ATOM 1295 C LEU A 89 -6.698 5.590 -9.396 1.00 0.55 C ATOM 1296 O LEU A 89 -6.597 6.486 -10.230 1.00 0.77 O ATOM 1297 CB LEU A 89 -5.251 5.409 -7.345 1.00 0.62 C ATOM 1298 CG LEU A 89 -6.395 5.101 -6.374 1.00 0.82 C ATOM 1299 CD1 LEU A 89 -6.567 3.601 -6.196 1.00 1.71 C ATOM 1300 CD2 LEU A 89 -6.148 5.773 -5.034 1.00 1.06 C ATOM 0 H LEU A 89 -4.213 6.258 -9.849 1.00 0.56 H new ATOM 0 HA LEU A 89 -5.590 3.861 -8.796 1.00 0.55 H new ATOM 0 HB2 LEU A 89 -4.341 4.949 -6.961 1.00 0.62 H new ATOM 0 HB3 LEU A 89 -5.086 6.486 -7.350 1.00 0.62 H new ATOM 0 HG LEU A 89 -7.317 5.499 -6.797 1.00 0.82 H new ATOM 0 HD11 LEU A 89 -7.385 3.408 -5.502 1.00 1.71 H new ATOM 0 HD12 LEU A 89 -6.793 3.144 -7.159 1.00 1.71 H new ATOM 0 HD13 LEU A 89 -5.646 3.174 -5.799 1.00 1.71 H new ATOM 0 HD21 LEU A 89 -6.970 5.544 -4.355 1.00 1.06 H new ATOM 0 HD22 LEU A 89 -5.214 5.406 -4.609 1.00 1.06 H new ATOM 0 HD23 LEU A 89 -6.083 6.852 -5.175 1.00 1.06 H new ATOM 1312 N ASP A 90 -7.856 5.122 -8.970 1.00 0.47 N ATOM 1313 CA ASP A 90 -9.130 5.624 -9.450 1.00 0.52 C ATOM 1314 C ASP A 90 -10.175 5.418 -8.363 1.00 0.53 C ATOM 1315 O ASP A 90 -9.976 4.582 -7.483 1.00 0.51 O ATOM 1316 CB ASP A 90 -9.524 4.885 -10.734 1.00 0.68 C ATOM 1317 CG ASP A 90 -10.906 5.251 -11.224 1.00 1.40 C ATOM 1318 OD1 ASP A 90 -11.050 6.284 -11.905 1.00 1.74 O ATOM 1319 OD2 ASP A 90 -11.858 4.501 -10.925 1.00 2.21 O ATOM 0 H ASP A 90 -7.940 4.378 -8.277 1.00 0.47 H new ATOM 0 HA ASP A 90 -9.058 6.687 -9.679 1.00 0.52 H new ATOM 0 HB2 ASP A 90 -8.796 5.109 -11.514 1.00 0.68 H new ATOM 0 HB3 ASP A 90 -9.480 3.810 -10.557 1.00 0.68 H new ATOM 1324 N LYS A 91 -11.267 6.177 -8.401 1.00 0.63 N ATOM 1325 CA LYS A 91 -12.318 6.059 -7.392 1.00 0.75 C ATOM 1326 C LYS A 91 -12.834 4.620 -7.303 1.00 0.79 C ATOM 1327 O LYS A 91 -13.044 4.093 -6.210 1.00 0.85 O ATOM 1328 CB LYS A 91 -13.472 7.019 -7.699 1.00 0.89 C ATOM 1329 CG LYS A 91 -14.524 7.085 -6.599 1.00 1.15 C ATOM 1330 CD LYS A 91 -13.910 7.499 -5.267 1.00 1.38 C ATOM 1331 CE LYS A 91 -14.957 7.602 -4.168 1.00 1.71 C ATOM 1332 NZ LYS A 91 -15.932 8.694 -4.433 1.00 2.24 N ATOM 0 H LYS A 91 -11.448 6.880 -9.118 1.00 0.63 H new ATOM 0 HA LYS A 91 -11.888 6.328 -6.427 1.00 0.75 H new ATOM 0 HB2 LYS A 91 -13.068 8.018 -7.863 1.00 0.89 H new ATOM 0 HB3 LYS A 91 -13.950 6.712 -8.629 1.00 0.89 H new ATOM 0 HG2 LYS A 91 -15.302 7.795 -6.879 1.00 1.15 H new ATOM 0 HG3 LYS A 91 -15.004 6.112 -6.493 1.00 1.15 H new ATOM 0 HD2 LYS A 91 -13.149 6.774 -4.977 1.00 1.38 H new ATOM 0 HD3 LYS A 91 -13.408 8.460 -5.381 1.00 1.38 H new ATOM 0 HE2 LYS A 91 -15.488 6.654 -4.082 1.00 1.71 H new ATOM 0 HE3 LYS A 91 -14.464 7.779 -3.212 1.00 1.71 H new ATOM 0 HZ1 LYS A 91 -16.511 8.856 -3.584 1.00 2.24 H new ATOM 0 HZ2 LYS A 91 -15.419 9.566 -4.674 1.00 2.24 H new ATOM 0 HZ3 LYS A 91 -16.548 8.424 -5.226 1.00 2.24 H new ATOM 1346 N ALA A 92 -13.003 3.977 -8.452 1.00 0.81 N ATOM 1347 CA ALA A 92 -13.471 2.599 -8.489 1.00 0.94 C ATOM 1348 C ALA A 92 -12.404 1.656 -7.950 1.00 0.81 C ATOM 1349 O ALA A 92 -12.706 0.699 -7.234 1.00 0.81 O ATOM 1350 CB ALA A 92 -13.850 2.201 -9.904 1.00 1.13 C ATOM 0 H ALA A 92 -12.823 4.388 -9.368 1.00 0.81 H new ATOM 0 HA ALA A 92 -14.355 2.525 -7.856 1.00 0.94 H new ATOM 0 HB1 ALA A 92 -14.197 1.168 -9.911 1.00 1.13 H new ATOM 0 HB2 ALA A 92 -14.645 2.853 -10.265 1.00 1.13 H new ATOM 0 HB3 ALA A 92 -12.980 2.296 -10.554 1.00 1.13 H new ATOM 1356 N ALA A 93 -11.153 1.943 -8.293 1.00 0.73 N ATOM 1357 CA ALA A 93 -10.025 1.150 -7.820 1.00 0.67 C ATOM 1358 C ALA A 93 -9.861 1.295 -6.310 1.00 0.57 C ATOM 1359 O ALA A 93 -9.467 0.352 -5.628 1.00 0.57 O ATOM 1360 CB ALA A 93 -8.748 1.557 -8.540 1.00 0.69 C ATOM 0 H ALA A 93 -10.894 2.722 -8.899 1.00 0.73 H new ATOM 0 HA ALA A 93 -10.225 0.102 -8.042 1.00 0.67 H new ATOM 0 HB1 ALA A 93 -7.916 0.955 -8.174 1.00 0.69 H new ATOM 0 HB2 ALA A 93 -8.868 1.398 -9.612 1.00 0.69 H new ATOM 0 HB3 ALA A 93 -8.544 2.611 -8.351 1.00 0.69 H new ATOM 1366 N CYS A 94 -10.181 2.480 -5.801 1.00 0.55 N ATOM 1367 CA CYS A 94 -10.161 2.741 -4.367 1.00 0.58 C ATOM 1368 C CYS A 94 -11.134 1.809 -3.656 1.00 0.60 C ATOM 1369 O CYS A 94 -10.785 1.155 -2.672 1.00 0.63 O ATOM 1370 CB CYS A 94 -10.528 4.206 -4.093 1.00 0.67 C ATOM 1371 SG CYS A 94 -10.580 4.656 -2.329 1.00 1.02 S ATOM 0 H CYS A 94 -10.460 3.282 -6.367 1.00 0.55 H new ATOM 0 HA CYS A 94 -9.157 2.557 -3.986 1.00 0.58 H new ATOM 0 HB2 CYS A 94 -9.806 4.848 -4.597 1.00 0.67 H new ATOM 0 HB3 CYS A 94 -11.502 4.412 -4.536 1.00 0.67 H new ATOM 1376 N VAL A 95 -12.350 1.720 -4.185 1.00 0.64 N ATOM 1377 CA VAL A 95 -13.361 0.831 -3.630 1.00 0.71 C ATOM 1378 C VAL A 95 -12.949 -0.626 -3.811 1.00 0.65 C ATOM 1379 O VAL A 95 -13.285 -1.485 -2.996 1.00 0.67 O ATOM 1380 CB VAL A 95 -14.741 1.065 -4.286 1.00 0.83 C ATOM 1381 CG1 VAL A 95 -15.804 0.167 -3.666 1.00 0.96 C ATOM 1382 CG2 VAL A 95 -15.148 2.527 -4.168 1.00 1.04 C ATOM 0 H VAL A 95 -12.658 2.254 -4.998 1.00 0.64 H new ATOM 0 HA VAL A 95 -13.444 1.054 -2.566 1.00 0.71 H new ATOM 0 HB VAL A 95 -14.657 0.810 -5.342 1.00 0.83 H new ATOM 0 HG11 VAL A 95 -16.764 0.354 -4.147 1.00 0.96 H new ATOM 0 HG12 VAL A 95 -15.525 -0.877 -3.806 1.00 0.96 H new ATOM 0 HG13 VAL A 95 -15.885 0.381 -2.600 1.00 0.96 H new ATOM 0 HG21 VAL A 95 -16.122 2.672 -4.635 1.00 1.04 H new ATOM 0 HG22 VAL A 95 -15.205 2.805 -3.116 1.00 1.04 H new ATOM 0 HG23 VAL A 95 -14.408 3.152 -4.668 1.00 1.04 H new ATOM 1392 N SER A 96 -12.196 -0.889 -4.868 1.00 0.62 N ATOM 1393 CA SER A 96 -11.759 -2.237 -5.191 1.00 0.61 C ATOM 1394 C SER A 96 -10.753 -2.747 -4.158 1.00 0.55 C ATOM 1395 O SER A 96 -10.861 -3.878 -3.683 1.00 0.58 O ATOM 1396 CB SER A 96 -11.153 -2.255 -6.593 1.00 0.68 C ATOM 1397 OG SER A 96 -11.001 -3.579 -7.077 1.00 1.00 O ATOM 0 H SER A 96 -11.872 -0.177 -5.523 1.00 0.62 H new ATOM 0 HA SER A 96 -12.621 -2.903 -5.168 1.00 0.61 H new ATOM 0 HB2 SER A 96 -11.790 -1.689 -7.273 1.00 0.68 H new ATOM 0 HB3 SER A 96 -10.183 -1.759 -6.577 1.00 0.68 H new ATOM 0 HG SER A 96 -10.613 -3.556 -7.976 1.00 1.00 H new ATOM 1403 N LEU A 97 -9.795 -1.897 -3.793 1.00 0.56 N ATOM 1404 CA LEU A 97 -8.791 -2.258 -2.793 1.00 0.61 C ATOM 1405 C LEU A 97 -9.464 -2.595 -1.468 1.00 0.63 C ATOM 1406 O LEU A 97 -9.010 -3.461 -0.721 1.00 0.70 O ATOM 1407 CB LEU A 97 -7.794 -1.114 -2.596 1.00 0.69 C ATOM 1408 CG LEU A 97 -6.994 -0.725 -3.839 1.00 0.78 C ATOM 1409 CD1 LEU A 97 -6.095 0.466 -3.543 1.00 0.86 C ATOM 1410 CD2 LEU A 97 -6.169 -1.903 -4.333 1.00 0.89 C ATOM 0 H LEU A 97 -9.693 -0.956 -4.173 1.00 0.56 H new ATOM 0 HA LEU A 97 -8.250 -3.135 -3.149 1.00 0.61 H new ATOM 0 HB2 LEU A 97 -8.337 -0.237 -2.244 1.00 0.69 H new ATOM 0 HB3 LEU A 97 -7.096 -1.394 -1.807 1.00 0.69 H new ATOM 0 HG LEU A 97 -7.695 -0.442 -4.624 1.00 0.78 H new ATOM 0 HD11 LEU A 97 -5.533 0.729 -4.439 1.00 0.86 H new ATOM 0 HD12 LEU A 97 -6.705 1.315 -3.235 1.00 0.86 H new ATOM 0 HD13 LEU A 97 -5.402 0.208 -2.742 1.00 0.86 H new ATOM 0 HD21 LEU A 97 -5.606 -1.607 -5.218 1.00 0.89 H new ATOM 0 HD22 LEU A 97 -5.477 -2.216 -3.551 1.00 0.89 H new ATOM 0 HD23 LEU A 97 -6.831 -2.731 -4.584 1.00 0.89 H new ATOM 1422 N ALA A 98 -10.561 -1.906 -1.198 1.00 0.64 N ATOM 1423 CA ALA A 98 -11.349 -2.158 -0.006 1.00 0.75 C ATOM 1424 C ALA A 98 -12.186 -3.431 -0.158 1.00 0.71 C ATOM 1425 O ALA A 98 -12.347 -4.193 0.791 1.00 0.85 O ATOM 1426 CB ALA A 98 -12.217 -0.947 0.296 1.00 0.92 C ATOM 0 H ALA A 98 -10.926 -1.163 -1.794 1.00 0.64 H new ATOM 0 HA ALA A 98 -10.678 -2.320 0.837 1.00 0.75 H new ATOM 0 HB1 ALA A 98 -12.808 -1.138 1.192 1.00 0.92 H new ATOM 0 HB2 ALA A 98 -11.582 -0.076 0.459 1.00 0.92 H new ATOM 0 HB3 ALA A 98 -12.883 -0.758 -0.546 1.00 0.92 H new ATOM 1432 N THR A 99 -12.703 -3.680 -1.361 1.00 0.66 N ATOM 1433 CA THR A 99 -13.428 -4.922 -1.635 1.00 0.71 C ATOM 1434 C THR A 99 -12.441 -6.033 -1.949 1.00 0.66 C ATOM 1435 O THR A 99 -12.788 -7.055 -2.531 1.00 0.77 O ATOM 1436 CB THR A 99 -14.440 -4.786 -2.801 1.00 0.81 C ATOM 1437 OG1 THR A 99 -13.931 -3.909 -3.811 1.00 0.82 O ATOM 1438 CG2 THR A 99 -15.793 -4.284 -2.311 1.00 0.92 C ATOM 0 H THR A 99 -12.635 -3.044 -2.156 1.00 0.66 H new ATOM 0 HA THR A 99 -14.000 -5.160 -0.738 1.00 0.71 H new ATOM 0 HB THR A 99 -14.580 -5.779 -3.229 1.00 0.81 H new ATOM 0 HG1 THR A 99 -13.963 -2.984 -3.488 1.00 0.82 H new ATOM 0 HG21 THR A 99 -16.478 -4.201 -3.155 1.00 0.92 H new ATOM 0 HG22 THR A 99 -16.199 -4.985 -1.582 1.00 0.92 H new ATOM 0 HG23 THR A 99 -15.671 -3.306 -1.845 1.00 0.92 H new ATOM 1446 N LEU A 100 -11.208 -5.809 -1.543 1.00 0.59 N ATOM 1447 CA LEU A 100 -10.149 -6.781 -1.696 1.00 0.61 C ATOM 1448 C LEU A 100 -9.641 -7.133 -0.311 1.00 0.66 C ATOM 1449 O LEU A 100 -8.855 -6.396 0.282 1.00 0.93 O ATOM 1450 CB LEU A 100 -9.016 -6.214 -2.561 1.00 0.60 C ATOM 1451 CG LEU A 100 -8.241 -7.225 -3.416 1.00 0.69 C ATOM 1452 CD1 LEU A 100 -7.153 -6.516 -4.201 1.00 1.08 C ATOM 1453 CD2 LEU A 100 -7.642 -8.333 -2.561 1.00 0.73 C ATOM 0 H LEU A 100 -10.912 -4.942 -1.095 1.00 0.59 H new ATOM 0 HA LEU A 100 -10.524 -7.673 -2.197 1.00 0.61 H new ATOM 0 HB2 LEU A 100 -9.437 -5.458 -3.223 1.00 0.60 H new ATOM 0 HB3 LEU A 100 -8.308 -5.706 -1.907 1.00 0.60 H new ATOM 0 HG LEU A 100 -8.942 -7.686 -4.112 1.00 0.69 H new ATOM 0 HD11 LEU A 100 -6.608 -7.242 -4.805 1.00 1.08 H new ATOM 0 HD12 LEU A 100 -7.604 -5.767 -4.852 1.00 1.08 H new ATOM 0 HD13 LEU A 100 -6.465 -6.029 -3.510 1.00 1.08 H new ATOM 0 HD21 LEU A 100 -7.100 -9.032 -3.198 1.00 0.73 H new ATOM 0 HD22 LEU A 100 -6.957 -7.900 -1.832 1.00 0.73 H new ATOM 0 HD23 LEU A 100 -8.440 -8.862 -2.039 1.00 0.73 H new ATOM 1465 N ASN A 101 -10.123 -8.239 0.220 1.00 0.60 N ATOM 1466 CA ASN A 101 -9.800 -8.621 1.580 1.00 0.66 C ATOM 1467 C ASN A 101 -8.335 -9.035 1.698 1.00 0.70 C ATOM 1468 O ASN A 101 -7.956 -10.145 1.327 1.00 0.79 O ATOM 1469 CB ASN A 101 -10.729 -9.745 2.039 1.00 0.80 C ATOM 1470 CG ASN A 101 -10.420 -10.257 3.435 1.00 0.93 C ATOM 1471 OD1 ASN A 101 -9.635 -11.188 3.617 1.00 1.29 O ATOM 1472 ND2 ASN A 101 -11.029 -9.643 4.436 1.00 1.12 N ATOM 0 H ASN A 101 -10.739 -8.888 -0.269 1.00 0.60 H new ATOM 0 HA ASN A 101 -9.949 -7.759 2.231 1.00 0.66 H new ATOM 0 HB2 ASN A 101 -11.759 -9.388 2.012 1.00 0.80 H new ATOM 0 HB3 ASN A 101 -10.660 -10.573 1.334 1.00 0.80 H new ATOM 0 HD21 ASN A 101 -10.854 -9.937 5.397 1.00 1.12 H new ATOM 0 HD22 ASN A 101 -11.673 -8.875 4.247 1.00 1.12 H new ATOM 1479 N LEU A 102 -7.511 -8.117 2.193 1.00 0.76 N ATOM 1480 CA LEU A 102 -6.091 -8.379 2.394 1.00 0.88 C ATOM 1481 C LEU A 102 -5.845 -8.978 3.776 1.00 0.99 C ATOM 1482 O LEU A 102 -4.729 -8.946 4.283 1.00 1.50 O ATOM 1483 CB LEU A 102 -5.279 -7.083 2.264 1.00 1.07 C ATOM 1484 CG LEU A 102 -5.481 -6.282 0.977 1.00 1.01 C ATOM 1485 CD1 LEU A 102 -4.553 -5.075 0.959 1.00 1.55 C ATOM 1486 CD2 LEU A 102 -5.243 -7.155 -0.244 1.00 1.47 C ATOM 0 H LEU A 102 -7.806 -7.179 2.464 1.00 0.76 H new ATOM 0 HA LEU A 102 -5.773 -9.087 1.629 1.00 0.88 H new ATOM 0 HB2 LEU A 102 -5.524 -6.440 3.109 1.00 1.07 H new ATOM 0 HB3 LEU A 102 -4.221 -7.332 2.349 1.00 1.07 H new ATOM 0 HG LEU A 102 -6.513 -5.931 0.947 1.00 1.01 H new ATOM 0 HD11 LEU A 102 -4.706 -4.512 0.038 1.00 1.55 H new ATOM 0 HD12 LEU A 102 -4.770 -4.436 1.815 1.00 1.55 H new ATOM 0 HD13 LEU A 102 -3.518 -5.411 1.011 1.00 1.55 H new ATOM 0 HD21 LEU A 102 -5.392 -6.565 -1.148 1.00 1.47 H new ATOM 0 HD22 LEU A 102 -4.222 -7.537 -0.225 1.00 1.47 H new ATOM 0 HD23 LEU A 102 -5.943 -7.990 -0.236 1.00 1.47 H new ATOM 1498 N GLY A 103 -6.883 -9.560 4.364 1.00 0.92 N ATOM 1499 CA GLY A 103 -6.795 -10.049 5.733 1.00 1.04 C ATOM 1500 C GLY A 103 -5.879 -11.248 5.889 1.00 1.12 C ATOM 1501 O GLY A 103 -5.710 -11.768 6.993 1.00 1.70 O ATOM 0 H GLY A 103 -7.789 -9.704 3.918 1.00 0.92 H new ATOM 0 HA2 GLY A 103 -6.439 -9.244 6.376 1.00 1.04 H new ATOM 0 HA3 GLY A 103 -7.793 -10.317 6.080 1.00 1.04 H new ATOM 1505 N THR A 104 -5.300 -11.700 4.792 1.00 1.03 N ATOM 1506 CA THR A 104 -4.389 -12.829 4.821 1.00 1.28 C ATOM 1507 C THR A 104 -3.042 -12.490 4.179 1.00 1.06 C ATOM 1508 O THR A 104 -2.118 -13.303 4.196 1.00 1.25 O ATOM 1509 CB THR A 104 -5.010 -14.036 4.095 1.00 1.73 C ATOM 1510 OG1 THR A 104 -5.555 -13.617 2.834 1.00 2.31 O ATOM 1511 CG2 THR A 104 -6.101 -14.680 4.937 1.00 2.21 C ATOM 0 H THR A 104 -5.446 -11.300 3.865 1.00 1.03 H new ATOM 0 HA THR A 104 -4.215 -13.077 5.868 1.00 1.28 H new ATOM 0 HB THR A 104 -4.226 -14.774 3.929 1.00 1.73 H new ATOM 0 HG1 THR A 104 -5.948 -14.389 2.375 1.00 2.31 H new ATOM 0 HG21 THR A 104 -6.522 -15.530 4.399 1.00 2.21 H new ATOM 0 HG22 THR A 104 -5.678 -15.022 5.881 1.00 2.21 H new ATOM 0 HG23 THR A 104 -6.887 -13.951 5.134 1.00 2.21 H new ATOM 1519 N SER A 105 -2.920 -11.282 3.642 1.00 0.97 N ATOM 1520 CA SER A 105 -1.746 -10.921 2.858 1.00 1.06 C ATOM 1521 C SER A 105 -1.362 -9.456 3.039 1.00 1.02 C ATOM 1522 O SER A 105 -0.527 -8.932 2.311 1.00 1.48 O ATOM 1523 CB SER A 105 -2.022 -11.217 1.386 1.00 1.35 C ATOM 1524 OG SER A 105 -3.316 -10.759 1.017 1.00 2.06 O ATOM 0 H SER A 105 -3.614 -10.541 3.734 1.00 0.97 H new ATOM 0 HA SER A 105 -0.904 -11.516 3.211 1.00 1.06 H new ATOM 0 HB2 SER A 105 -1.268 -10.733 0.765 1.00 1.35 H new ATOM 0 HB3 SER A 105 -1.944 -12.289 1.204 1.00 1.35 H new ATOM 0 HG SER A 105 -3.940 -11.514 1.009 1.00 2.06 H new ATOM 1530 N ALA A 106 -1.947 -8.793 4.015 1.00 0.76 N ATOM 1531 CA ALA A 106 -1.602 -7.406 4.275 1.00 0.73 C ATOM 1532 C ALA A 106 -0.559 -7.329 5.364 1.00 0.59 C ATOM 1533 O ALA A 106 -0.618 -8.077 6.343 1.00 0.67 O ATOM 1534 CB ALA A 106 -2.821 -6.595 4.680 1.00 0.90 C ATOM 0 H ALA A 106 -2.656 -9.184 4.636 1.00 0.76 H new ATOM 0 HA ALA A 106 -1.204 -6.984 3.352 1.00 0.73 H new ATOM 0 HB1 ALA A 106 -2.526 -5.563 4.867 1.00 0.90 H new ATOM 0 HB2 ALA A 106 -3.559 -6.622 3.878 1.00 0.90 H new ATOM 0 HB3 ALA A 106 -3.255 -7.018 5.586 1.00 0.90 H new ATOM 1540 N LYS A 107 0.406 -6.450 5.188 1.00 0.51 N ATOM 1541 CA LYS A 107 1.360 -6.195 6.242 1.00 0.47 C ATOM 1542 C LYS A 107 1.035 -4.857 6.891 1.00 0.51 C ATOM 1543 O LYS A 107 1.601 -4.486 7.916 1.00 0.70 O ATOM 1544 CB LYS A 107 2.794 -6.238 5.714 1.00 0.58 C ATOM 1545 CG LYS A 107 3.105 -7.541 4.999 1.00 0.99 C ATOM 1546 CD LYS A 107 4.568 -7.942 5.096 1.00 0.67 C ATOM 1547 CE LYS A 107 4.939 -8.302 6.528 1.00 1.07 C ATOM 1548 NZ LYS A 107 6.303 -8.889 6.637 1.00 1.69 N ATOM 0 H LYS A 107 0.548 -5.908 4.336 1.00 0.51 H new ATOM 0 HA LYS A 107 1.286 -6.979 6.996 1.00 0.47 H new ATOM 0 HB2 LYS A 107 2.952 -5.404 5.030 1.00 0.58 H new ATOM 0 HB3 LYS A 107 3.489 -6.106 6.544 1.00 0.58 H new ATOM 0 HG2 LYS A 107 2.488 -8.335 5.420 1.00 0.99 H new ATOM 0 HG3 LYS A 107 2.830 -7.446 3.949 1.00 0.99 H new ATOM 0 HD2 LYS A 107 4.760 -8.792 4.442 1.00 0.67 H new ATOM 0 HD3 LYS A 107 5.198 -7.123 4.748 1.00 0.67 H new ATOM 0 HE2 LYS A 107 4.882 -7.408 7.150 1.00 1.07 H new ATOM 0 HE3 LYS A 107 4.210 -9.011 6.921 1.00 1.07 H new ATOM 0 HZ1 LYS A 107 6.552 -9.006 7.640 1.00 1.69 H new ATOM 0 HZ2 LYS A 107 6.321 -9.816 6.166 1.00 1.69 H new ATOM 0 HZ3 LYS A 107 6.991 -8.256 6.181 1.00 1.69 H new ATOM 1562 N GLY A 108 0.109 -4.141 6.264 1.00 0.50 N ATOM 1563 CA GLY A 108 -0.401 -2.907 6.815 1.00 0.61 C ATOM 1564 C GLY A 108 -0.937 -1.992 5.752 1.00 0.58 C ATOM 1565 O GLY A 108 -0.187 -1.504 4.916 1.00 0.81 O ATOM 0 H GLY A 108 -0.302 -4.403 5.368 1.00 0.50 H new ATOM 0 HA2 GLY A 108 -1.191 -3.130 7.532 1.00 0.61 H new ATOM 0 HA3 GLY A 108 0.393 -2.400 7.363 1.00 0.61 H new ATOM 1569 N TYR A 109 -2.224 -1.739 5.781 1.00 0.52 N ATOM 1570 CA TYR A 109 -2.832 -0.888 4.786 1.00 0.49 C ATOM 1571 C TYR A 109 -3.154 0.457 5.427 1.00 0.47 C ATOM 1572 O TYR A 109 -3.875 0.519 6.414 1.00 0.51 O ATOM 1573 CB TYR A 109 -4.083 -1.583 4.238 1.00 0.58 C ATOM 1574 CG TYR A 109 -4.747 -0.908 3.060 1.00 0.57 C ATOM 1575 CD1 TYR A 109 -4.629 0.451 2.838 1.00 1.25 C ATOM 1576 CD2 TYR A 109 -5.517 -1.650 2.183 1.00 0.98 C ATOM 1577 CE1 TYR A 109 -5.258 1.059 1.769 1.00 1.39 C ATOM 1578 CE2 TYR A 109 -6.157 -1.062 1.114 1.00 1.13 C ATOM 1579 CZ TYR A 109 -6.026 0.298 0.911 1.00 0.99 C ATOM 1580 OH TYR A 109 -6.666 0.896 -0.147 1.00 1.28 O ATOM 0 H TYR A 109 -2.868 -2.109 6.480 1.00 0.52 H new ATOM 0 HA TYR A 109 -2.157 -0.709 3.949 1.00 0.49 H new ATOM 0 HB2 TYR A 109 -3.814 -2.598 3.947 1.00 0.58 H new ATOM 0 HB3 TYR A 109 -4.812 -1.666 5.044 1.00 0.58 H new ATOM 0 HD1 TYR A 109 -4.034 1.049 3.513 1.00 1.25 H new ATOM 0 HD2 TYR A 109 -5.619 -2.714 2.340 1.00 0.98 H new ATOM 0 HE1 TYR A 109 -5.150 2.121 1.606 1.00 1.39 H new ATOM 0 HE2 TYR A 109 -6.755 -1.659 0.441 1.00 1.13 H new ATOM 0 HH TYR A 109 -6.890 1.821 0.087 1.00 1.28 H new ATOM 1590 N GLY A 110 -2.626 1.531 4.858 1.00 0.45 N ATOM 1591 CA GLY A 110 -2.802 2.840 5.449 1.00 0.48 C ATOM 1592 C GLY A 110 -3.473 3.808 4.504 1.00 0.52 C ATOM 1593 O GLY A 110 -3.145 3.862 3.319 1.00 0.85 O ATOM 0 H GLY A 110 -2.079 1.518 3.997 1.00 0.45 H new ATOM 0 HA2 GLY A 110 -3.398 2.749 6.357 1.00 0.48 H new ATOM 0 HA3 GLY A 110 -1.831 3.237 5.744 1.00 0.48 H new ATOM 1597 N VAL A 111 -4.407 4.578 5.028 1.00 0.44 N ATOM 1598 CA VAL A 111 -5.145 5.533 4.226 1.00 0.50 C ATOM 1599 C VAL A 111 -4.680 6.950 4.525 1.00 0.50 C ATOM 1600 O VAL A 111 -4.750 7.398 5.669 1.00 0.52 O ATOM 1601 CB VAL A 111 -6.665 5.430 4.479 1.00 0.64 C ATOM 1602 CG1 VAL A 111 -7.426 6.435 3.628 1.00 1.25 C ATOM 1603 CG2 VAL A 111 -7.155 4.015 4.208 1.00 1.53 C ATOM 0 H VAL A 111 -4.674 4.560 6.012 1.00 0.44 H new ATOM 0 HA VAL A 111 -4.951 5.297 3.180 1.00 0.50 H new ATOM 0 HB VAL A 111 -6.853 5.665 5.527 1.00 0.64 H new ATOM 0 HG11 VAL A 111 -8.494 6.343 3.824 1.00 1.25 H new ATOM 0 HG12 VAL A 111 -7.097 7.444 3.876 1.00 1.25 H new ATOM 0 HG13 VAL A 111 -7.233 6.239 2.573 1.00 1.25 H new ATOM 0 HG21 VAL A 111 -8.228 3.960 4.391 1.00 1.53 H new ATOM 0 HG22 VAL A 111 -6.950 3.751 3.170 1.00 1.53 H new ATOM 0 HG23 VAL A 111 -6.638 3.318 4.868 1.00 1.53 H new ATOM 1613 N ASN A 112 -4.175 7.627 3.493 1.00 0.53 N ATOM 1614 CA ASN A 112 -3.751 9.029 3.587 1.00 0.60 C ATOM 1615 C ASN A 112 -2.443 9.178 4.359 1.00 0.56 C ATOM 1616 O ASN A 112 -2.048 10.293 4.707 1.00 0.69 O ATOM 1617 CB ASN A 112 -4.845 9.898 4.225 1.00 0.69 C ATOM 1618 CG ASN A 112 -5.520 10.811 3.222 1.00 0.79 C ATOM 1619 OD1 ASN A 112 -5.074 11.936 3.004 1.00 1.07 O ATOM 1620 ND2 ASN A 112 -6.595 10.339 2.612 1.00 1.16 N ATOM 0 H ASN A 112 -4.047 7.220 2.566 1.00 0.53 H new ATOM 0 HA ASN A 112 -3.580 9.376 2.568 1.00 0.60 H new ATOM 0 HB2 ASN A 112 -5.594 9.254 4.686 1.00 0.69 H new ATOM 0 HB3 ASN A 112 -4.408 10.499 5.022 1.00 0.69 H new ATOM 0 HD21 ASN A 112 -7.089 10.915 1.930 1.00 1.16 H new ATOM 0 HD22 ASN A 112 -6.930 9.399 2.824 1.00 1.16 H new ATOM 1627 N ILE A 113 -1.761 8.062 4.588 1.00 0.54 N ATOM 1628 CA ILE A 113 -0.493 8.063 5.314 1.00 0.54 C ATOM 1629 C ILE A 113 0.591 8.810 4.539 1.00 0.60 C ATOM 1630 O ILE A 113 0.646 8.756 3.312 1.00 0.73 O ATOM 1631 CB ILE A 113 -0.021 6.610 5.627 1.00 0.58 C ATOM 1632 CG1 ILE A 113 -0.568 6.143 6.977 1.00 0.77 C ATOM 1633 CG2 ILE A 113 1.500 6.485 5.614 1.00 0.76 C ATOM 1634 CD1 ILE A 113 -2.074 6.073 7.037 1.00 0.83 C ATOM 0 H ILE A 113 -2.066 7.139 4.280 1.00 0.54 H new ATOM 0 HA ILE A 113 -0.662 8.583 6.257 1.00 0.54 H new ATOM 0 HB ILE A 113 -0.416 5.971 4.837 1.00 0.58 H new ATOM 0 HG12 ILE A 113 -0.159 5.158 7.202 1.00 0.77 H new ATOM 0 HG13 ILE A 113 -0.215 6.820 7.755 1.00 0.77 H new ATOM 0 HG21 ILE A 113 1.782 5.456 5.837 1.00 0.76 H new ATOM 0 HG22 ILE A 113 1.879 6.760 4.630 1.00 0.76 H new ATOM 0 HG23 ILE A 113 1.926 7.149 6.366 1.00 0.76 H new ATOM 0 HD11 ILE A 113 -2.383 5.734 8.026 1.00 0.83 H new ATOM 0 HD12 ILE A 113 -2.492 7.061 6.845 1.00 0.83 H new ATOM 0 HD13 ILE A 113 -2.436 5.373 6.284 1.00 0.83 H new ATOM 1646 N SER A 114 1.414 9.548 5.267 1.00 0.60 N ATOM 1647 CA SER A 114 2.593 10.175 4.703 1.00 0.70 C ATOM 1648 C SER A 114 3.799 9.890 5.596 1.00 0.67 C ATOM 1649 O SER A 114 4.035 10.576 6.594 1.00 0.77 O ATOM 1650 CB SER A 114 2.363 11.676 4.535 1.00 0.83 C ATOM 1651 OG SER A 114 1.253 11.912 3.681 1.00 1.58 O ATOM 0 H SER A 114 1.282 9.727 6.262 1.00 0.60 H new ATOM 0 HA SER A 114 2.792 9.759 3.715 1.00 0.70 H new ATOM 0 HB2 SER A 114 2.186 12.135 5.508 1.00 0.83 H new ATOM 0 HB3 SER A 114 3.256 12.143 4.120 1.00 0.83 H new ATOM 0 HG SER A 114 1.115 12.877 3.583 1.00 1.58 H new ATOM 1657 N GLY A 115 4.536 8.847 5.238 1.00 0.70 N ATOM 1658 CA GLY A 115 5.622 8.367 6.069 1.00 0.70 C ATOM 1659 C GLY A 115 5.604 6.858 6.150 1.00 0.70 C ATOM 1660 O GLY A 115 5.412 6.293 7.224 1.00 0.75 O ATOM 0 H GLY A 115 4.398 8.319 4.376 1.00 0.70 H new ATOM 0 HA2 GLY A 115 6.575 8.703 5.661 1.00 0.70 H new ATOM 0 HA3 GLY A 115 5.536 8.791 7.069 1.00 0.70 H new ATOM 1664 N GLU A 116 5.803 6.216 5.004 1.00 0.73 N ATOM 1665 CA GLU A 116 5.659 4.776 4.879 1.00 0.77 C ATOM 1666 C GLU A 116 6.642 4.006 5.751 1.00 0.75 C ATOM 1667 O GLU A 116 6.264 3.021 6.382 1.00 0.84 O ATOM 1668 CB GLU A 116 5.833 4.371 3.422 1.00 0.82 C ATOM 1669 CG GLU A 116 4.775 4.947 2.504 1.00 0.97 C ATOM 1670 CD GLU A 116 4.785 4.290 1.145 1.00 1.60 C ATOM 1671 OE1 GLU A 116 4.273 3.167 1.038 1.00 2.30 O ATOM 1672 OE2 GLU A 116 5.296 4.895 0.183 1.00 2.05 O ATOM 0 H GLU A 116 6.069 6.683 4.137 1.00 0.73 H new ATOM 0 HA GLU A 116 4.658 4.520 5.227 1.00 0.77 H new ATOM 0 HB2 GLU A 116 6.816 4.694 3.078 1.00 0.82 H new ATOM 0 HB3 GLU A 116 5.812 3.284 3.350 1.00 0.82 H new ATOM 0 HG2 GLU A 116 3.793 4.822 2.960 1.00 0.97 H new ATOM 0 HG3 GLU A 116 4.939 6.019 2.390 1.00 0.97 H new ATOM 1679 N ASN A 117 7.894 4.464 5.793 1.00 0.67 N ATOM 1680 CA ASN A 117 8.942 3.777 6.554 1.00 0.67 C ATOM 1681 C ASN A 117 8.479 3.482 7.980 1.00 0.69 C ATOM 1682 O ASN A 117 8.720 2.398 8.513 1.00 0.75 O ATOM 1683 CB ASN A 117 10.228 4.613 6.579 1.00 0.71 C ATOM 1684 CG ASN A 117 11.386 3.884 7.240 1.00 1.03 C ATOM 1685 OD1 ASN A 117 11.556 3.932 8.459 1.00 1.95 O ATOM 1686 ND2 ASN A 117 12.209 3.231 6.438 1.00 0.96 N ATOM 0 H ASN A 117 8.208 5.306 5.310 1.00 0.67 H new ATOM 0 HA ASN A 117 9.149 2.829 6.057 1.00 0.67 H new ATOM 0 HB2 ASN A 117 10.505 4.877 5.558 1.00 0.71 H new ATOM 0 HB3 ASN A 117 10.040 5.546 7.110 1.00 0.71 H new ATOM 0 HD21 ASN A 117 13.018 2.744 6.824 1.00 0.96 H new ATOM 0 HD22 ASN A 117 12.035 3.214 5.433 1.00 0.96 H new ATOM 1693 N ASN A 118 7.789 4.443 8.583 1.00 0.70 N ATOM 1694 CA ASN A 118 7.204 4.248 9.902 1.00 0.80 C ATOM 1695 C ASN A 118 5.719 4.584 9.860 1.00 0.82 C ATOM 1696 O ASN A 118 5.286 5.617 10.374 1.00 1.00 O ATOM 1697 CB ASN A 118 7.908 5.105 10.967 1.00 0.90 C ATOM 1698 CG ASN A 118 9.351 4.698 11.225 1.00 1.75 C ATOM 1699 OD1 ASN A 118 9.665 3.427 11.037 1.00 2.60 O flip ATOM 1700 ND2 ASN A 118 10.181 5.529 11.587 1.00 2.33 N flip ATOM 0 H ASN A 118 7.622 5.364 8.179 1.00 0.70 H new ATOM 0 HA ASN A 118 7.336 3.202 10.178 1.00 0.80 H new ATOM 0 HB2 ASN A 118 7.885 6.149 10.654 1.00 0.90 H new ATOM 0 HB3 ASN A 118 7.349 5.040 11.901 1.00 0.90 H new ATOM 0 HD21 ASN A 118 9.904 6.501 11.722 1.00 2.33 H new ATOM 0 HD22 ASN A 118 11.147 5.246 11.752 1.00 2.33 H new ATOM 1707 N ILE A 119 4.952 3.730 9.192 1.00 0.78 N ATOM 1708 CA ILE A 119 3.503 3.896 9.075 1.00 0.87 C ATOM 1709 C ILE A 119 2.826 3.795 10.452 1.00 0.71 C ATOM 1710 O ILE A 119 3.407 3.265 11.401 1.00 0.73 O ATOM 1711 CB ILE A 119 2.915 2.851 8.089 1.00 1.22 C ATOM 1712 CG1 ILE A 119 1.424 3.097 7.832 1.00 1.45 C ATOM 1713 CG2 ILE A 119 3.137 1.442 8.611 1.00 1.38 C ATOM 1714 CD1 ILE A 119 0.820 2.161 6.806 1.00 2.02 C ATOM 0 H ILE A 119 5.314 2.904 8.716 1.00 0.78 H new ATOM 0 HA ILE A 119 3.303 4.891 8.678 1.00 0.87 H new ATOM 0 HB ILE A 119 3.439 2.961 7.140 1.00 1.22 H new ATOM 0 HG12 ILE A 119 0.880 2.992 8.771 1.00 1.45 H new ATOM 0 HG13 ILE A 119 1.287 4.125 7.498 1.00 1.45 H new ATOM 0 HG21 ILE A 119 2.718 0.723 7.907 1.00 1.38 H new ATOM 0 HG22 ILE A 119 4.206 1.260 8.723 1.00 1.38 H new ATOM 0 HG23 ILE A 119 2.646 1.331 9.578 1.00 1.38 H new ATOM 0 HD11 ILE A 119 -0.237 2.395 6.677 1.00 2.02 H new ATOM 0 HD12 ILE A 119 1.337 2.282 5.854 1.00 2.02 H new ATOM 0 HD13 ILE A 119 0.924 1.131 7.147 1.00 2.02 H new ATOM 1726 N THR A 120 1.614 4.328 10.554 1.00 0.70 N ATOM 1727 CA THR A 120 0.879 4.364 11.812 1.00 0.64 C ATOM 1728 C THR A 120 0.287 2.998 12.177 1.00 0.56 C ATOM 1729 O THR A 120 0.373 2.042 11.405 1.00 0.54 O ATOM 1730 CB THR A 120 -0.244 5.418 11.752 1.00 0.79 C ATOM 1731 OG1 THR A 120 -0.905 5.364 10.478 1.00 1.59 O ATOM 1732 CG2 THR A 120 0.312 6.815 11.984 1.00 1.33 C ATOM 0 H THR A 120 1.115 4.746 9.769 1.00 0.70 H new ATOM 0 HA THR A 120 1.593 4.636 12.589 1.00 0.64 H new ATOM 0 HB THR A 120 -0.963 5.195 12.541 1.00 0.79 H new ATOM 0 HG1 THR A 120 -1.380 6.207 10.320 1.00 1.59 H new ATOM 0 HG21 THR A 120 -0.499 7.542 11.937 1.00 1.33 H new ATOM 0 HG22 THR A 120 0.784 6.861 12.966 1.00 1.33 H new ATOM 0 HG23 THR A 120 1.050 7.045 11.216 1.00 1.33 H new ATOM 1740 N SER A 121 -0.295 2.914 13.370 1.00 0.57 N ATOM 1741 CA SER A 121 -0.883 1.673 13.857 1.00 0.55 C ATOM 1742 C SER A 121 -2.183 1.355 13.111 1.00 0.52 C ATOM 1743 O SER A 121 -2.899 2.259 12.686 1.00 0.57 O ATOM 1744 CB SER A 121 -1.133 1.782 15.362 1.00 0.65 C ATOM 1745 OG SER A 121 0.066 2.124 16.045 1.00 1.27 O ATOM 0 H SER A 121 -0.371 3.697 14.020 1.00 0.57 H new ATOM 0 HA SER A 121 -0.187 0.855 13.671 1.00 0.55 H new ATOM 0 HB2 SER A 121 -1.896 2.536 15.556 1.00 0.65 H new ATOM 0 HB3 SER A 121 -1.517 0.835 15.742 1.00 0.65 H new ATOM 0 HG SER A 121 -0.113 2.191 17.006 1.00 1.27 H new ATOM 1751 N PHE A 122 -2.478 0.067 12.969 1.00 0.49 N ATOM 1752 CA PHE A 122 -3.598 -0.380 12.146 1.00 0.50 C ATOM 1753 C PHE A 122 -4.806 -0.718 12.993 1.00 0.53 C ATOM 1754 O PHE A 122 -4.720 -1.507 13.935 1.00 0.68 O ATOM 1755 CB PHE A 122 -3.203 -1.618 11.333 1.00 0.52 C ATOM 1756 CG PHE A 122 -1.787 -1.579 10.832 1.00 0.52 C ATOM 1757 CD1 PHE A 122 -1.460 -0.883 9.680 1.00 0.53 C ATOM 1758 CD2 PHE A 122 -0.781 -2.233 11.523 1.00 0.61 C ATOM 1759 CE1 PHE A 122 -0.156 -0.836 9.229 1.00 0.59 C ATOM 1760 CE2 PHE A 122 0.523 -2.193 11.076 1.00 0.66 C ATOM 1761 CZ PHE A 122 0.836 -1.493 9.928 1.00 0.63 C ATOM 0 H PHE A 122 -1.956 -0.688 13.414 1.00 0.49 H new ATOM 0 HA PHE A 122 -3.854 0.440 11.475 1.00 0.50 H new ATOM 0 HB2 PHE A 122 -3.337 -2.506 11.950 1.00 0.52 H new ATOM 0 HB3 PHE A 122 -3.878 -1.715 10.483 1.00 0.52 H new ATOM 0 HD1 PHE A 122 -2.234 -0.371 9.128 1.00 0.53 H new ATOM 0 HD2 PHE A 122 -1.020 -2.781 12.422 1.00 0.61 H new ATOM 0 HE1 PHE A 122 0.087 -0.287 8.332 1.00 0.59 H new ATOM 0 HE2 PHE A 122 1.298 -2.709 11.623 1.00 0.66 H new ATOM 0 HZ PHE A 122 1.857 -1.460 9.577 1.00 0.63 H new ATOM 1771 N GLY A 123 -5.923 -0.107 12.651 1.00 0.53 N ATOM 1772 CA GLY A 123 -7.181 -0.463 13.258 1.00 0.60 C ATOM 1773 C GLY A 123 -8.159 -0.982 12.228 1.00 0.67 C ATOM 1774 O GLY A 123 -7.825 -1.858 11.427 1.00 1.24 O ATOM 0 H GLY A 123 -5.981 0.637 11.956 1.00 0.53 H new ATOM 0 HA2 GLY A 123 -7.017 -1.223 14.022 1.00 0.60 H new ATOM 0 HA3 GLY A 123 -7.605 0.407 13.759 1.00 0.60 H new ATOM 1778 N ASN A 124 -9.352 -0.422 12.219 1.00 0.58 N ATOM 1779 CA ASN A 124 -10.389 -0.840 11.289 1.00 0.60 C ATOM 1780 C ASN A 124 -10.898 0.354 10.484 1.00 0.61 C ATOM 1781 O ASN A 124 -11.514 0.192 9.429 1.00 0.99 O ATOM 1782 CB ASN A 124 -11.532 -1.519 12.059 1.00 0.81 C ATOM 1783 CG ASN A 124 -12.724 -1.866 11.189 1.00 1.83 C ATOM 1784 OD1 ASN A 124 -12.727 -2.883 10.495 1.00 2.63 O ATOM 1785 ND2 ASN A 124 -13.762 -1.047 11.252 1.00 2.45 N ATOM 0 H ASN A 124 -9.631 0.330 12.849 1.00 0.58 H new ATOM 0 HA ASN A 124 -9.971 -1.560 10.585 1.00 0.60 H new ATOM 0 HB2 ASN A 124 -11.155 -2.429 12.525 1.00 0.81 H new ATOM 0 HB3 ASN A 124 -11.859 -0.861 12.864 1.00 0.81 H new ATOM 0 HD21 ASN A 124 -14.604 -1.249 10.713 1.00 2.45 H new ATOM 0 HD22 ASN A 124 -13.720 -0.214 11.839 1.00 2.45 H new ATOM 1792 N SER A 125 -10.573 1.551 10.950 1.00 0.51 N ATOM 1793 CA SER A 125 -11.112 2.770 10.357 1.00 0.55 C ATOM 1794 C SER A 125 -10.166 3.308 9.288 1.00 0.49 C ATOM 1795 O SER A 125 -9.058 2.800 9.109 1.00 0.64 O ATOM 1796 CB SER A 125 -11.351 3.827 11.445 1.00 0.73 C ATOM 1797 OG SER A 125 -12.014 4.971 10.922 1.00 1.33 O ATOM 0 H SER A 125 -9.940 1.706 11.735 1.00 0.51 H new ATOM 0 HA SER A 125 -12.065 2.535 9.883 1.00 0.55 H new ATOM 0 HB2 SER A 125 -11.947 3.395 12.249 1.00 0.73 H new ATOM 0 HB3 SER A 125 -10.397 4.125 11.880 1.00 0.73 H new ATOM 0 HG SER A 125 -12.153 5.625 11.639 1.00 1.33 H new ATOM 1803 N ALA A 126 -10.610 4.336 8.583 1.00 0.61 N ATOM 1804 CA ALA A 126 -9.835 4.921 7.509 1.00 0.57 C ATOM 1805 C ALA A 126 -10.097 6.415 7.424 1.00 0.73 C ATOM 1806 O ALA A 126 -11.234 6.844 7.254 1.00 1.25 O ATOM 1807 CB ALA A 126 -10.172 4.252 6.185 1.00 0.62 C ATOM 0 H ALA A 126 -11.513 4.784 8.740 1.00 0.61 H new ATOM 0 HA ALA A 126 -8.777 4.762 7.719 1.00 0.57 H new ATOM 0 HB1 ALA A 126 -9.581 4.704 5.388 1.00 0.62 H new ATOM 0 HB2 ALA A 126 -9.945 3.188 6.247 1.00 0.62 H new ATOM 0 HB3 ALA A 126 -11.232 4.385 5.970 1.00 0.62 H new ATOM 1813 N ASP A 127 -9.040 7.194 7.559 1.00 0.96 N ATOM 1814 CA ASP A 127 -9.122 8.644 7.439 1.00 1.08 C ATOM 1815 C ASP A 127 -7.746 9.188 7.103 1.00 0.90 C ATOM 1816 O ASP A 127 -7.478 9.567 5.965 1.00 1.34 O ATOM 1817 CB ASP A 127 -9.645 9.267 8.739 1.00 1.42 C ATOM 1818 CG ASP A 127 -9.678 10.783 8.694 1.00 1.53 C ATOM 1819 OD1 ASP A 127 -10.630 11.349 8.116 1.00 1.40 O ATOM 1820 OD2 ASP A 127 -8.752 11.417 9.236 1.00 2.08 O ATOM 0 H ASP A 127 -8.102 6.844 7.754 1.00 0.96 H new ATOM 0 HA ASP A 127 -9.821 8.903 6.643 1.00 1.08 H new ATOM 0 HB2 ASP A 127 -10.649 8.892 8.938 1.00 1.42 H new ATOM 0 HB3 ASP A 127 -9.015 8.947 9.569 1.00 1.42 H new ATOM 1825 N GLN A 128 -6.880 9.206 8.106 1.00 0.95 N ATOM 1826 CA GLN A 128 -5.466 9.490 7.915 1.00 0.92 C ATOM 1827 C GLN A 128 -4.655 8.561 8.804 1.00 0.83 C ATOM 1828 O GLN A 128 -3.585 8.916 9.298 1.00 1.02 O ATOM 1829 CB GLN A 128 -5.128 10.948 8.239 1.00 1.02 C ATOM 1830 CG GLN A 128 -5.766 11.953 7.298 1.00 1.17 C ATOM 1831 CD GLN A 128 -4.921 13.196 7.114 1.00 1.60 C ATOM 1832 OE1 GLN A 128 -3.611 13.027 7.172 1.00 1.72 O flip ATOM 1833 NE2 GLN A 128 -5.438 14.292 6.904 1.00 2.54 N flip ATOM 0 H GLN A 128 -7.139 9.024 9.076 1.00 0.95 H new ATOM 0 HA GLN A 128 -5.220 9.325 6.866 1.00 0.92 H new ATOM 0 HB2 GLN A 128 -5.447 11.166 9.258 1.00 1.02 H new ATOM 0 HB3 GLN A 128 -4.046 11.075 8.210 1.00 1.02 H new ATOM 0 HG2 GLN A 128 -5.931 11.483 6.328 1.00 1.17 H new ATOM 0 HG3 GLN A 128 -6.745 12.237 7.685 1.00 1.17 H new ATOM 0 HE21 GLN A 128 -6.454 14.378 6.867 1.00 2.54 H new ATOM 0 HE22 GLN A 128 -4.851 15.115 6.767 1.00 2.54 H new ATOM 1842 N ALA A 129 -5.181 7.361 8.989 1.00 0.65 N ATOM 1843 CA ALA A 129 -4.568 6.372 9.856 1.00 0.63 C ATOM 1844 C ALA A 129 -4.482 5.038 9.139 1.00 0.52 C ATOM 1845 O ALA A 129 -5.098 4.854 8.083 1.00 0.47 O ATOM 1846 CB ALA A 129 -5.363 6.226 11.145 1.00 0.69 C ATOM 0 H ALA A 129 -6.043 7.047 8.543 1.00 0.65 H new ATOM 0 HA ALA A 129 -3.561 6.705 10.109 1.00 0.63 H new ATOM 0 HB1 ALA A 129 -4.888 5.480 11.783 1.00 0.69 H new ATOM 0 HB2 ALA A 129 -5.391 7.183 11.665 1.00 0.69 H new ATOM 0 HB3 ALA A 129 -6.380 5.910 10.912 1.00 0.69 H new ATOM 1852 N ALA A 130 -3.716 4.120 9.697 1.00 0.54 N ATOM 1853 CA ALA A 130 -3.548 2.809 9.106 1.00 0.50 C ATOM 1854 C ALA A 130 -4.583 1.833 9.651 1.00 0.47 C ATOM 1855 O ALA A 130 -5.126 2.023 10.740 1.00 0.53 O ATOM 1856 CB ALA A 130 -2.139 2.304 9.349 1.00 0.58 C ATOM 0 H ALA A 130 -3.198 4.261 10.564 1.00 0.54 H new ATOM 0 HA ALA A 130 -3.703 2.888 8.030 1.00 0.50 H new ATOM 0 HB1 ALA A 130 -2.024 1.317 8.900 1.00 0.58 H new ATOM 0 HB2 ALA A 130 -1.423 2.993 8.900 1.00 0.58 H new ATOM 0 HB3 ALA A 130 -1.956 2.239 10.422 1.00 0.58 H new ATOM 1862 N LYS A 131 -4.867 0.796 8.885 1.00 0.43 N ATOM 1863 CA LYS A 131 -5.882 -0.167 9.254 1.00 0.44 C ATOM 1864 C LYS A 131 -5.471 -1.570 8.841 1.00 0.45 C ATOM 1865 O LYS A 131 -4.545 -1.756 8.051 1.00 0.49 O ATOM 1866 CB LYS A 131 -7.210 0.207 8.598 1.00 0.49 C ATOM 1867 CG LYS A 131 -7.195 0.097 7.082 1.00 0.58 C ATOM 1868 CD LYS A 131 -8.205 1.034 6.451 1.00 0.62 C ATOM 1869 CE LYS A 131 -9.637 0.637 6.788 1.00 0.89 C ATOM 1870 NZ LYS A 131 -9.999 -0.688 6.220 1.00 1.43 N ATOM 0 H LYS A 131 -4.404 0.600 7.997 1.00 0.43 H new ATOM 0 HA LYS A 131 -5.998 -0.152 10.338 1.00 0.44 H new ATOM 0 HB2 LYS A 131 -7.995 -0.439 8.993 1.00 0.49 H new ATOM 0 HB3 LYS A 131 -7.468 1.229 8.877 1.00 0.49 H new ATOM 0 HG2 LYS A 131 -6.198 0.329 6.708 1.00 0.58 H new ATOM 0 HG3 LYS A 131 -7.415 -0.929 6.788 1.00 0.58 H new ATOM 0 HD2 LYS A 131 -8.020 2.052 6.795 1.00 0.62 H new ATOM 0 HD3 LYS A 131 -8.073 1.034 5.369 1.00 0.62 H new ATOM 0 HE2 LYS A 131 -9.761 0.613 7.871 1.00 0.89 H new ATOM 0 HE3 LYS A 131 -10.322 1.394 6.406 1.00 0.89 H new ATOM 0 HZ1 LYS A 131 -11.033 -0.760 6.139 1.00 1.43 H new ATOM 0 HZ2 LYS A 131 -9.570 -0.791 5.278 1.00 1.43 H new ATOM 0 HZ3 LYS A 131 -9.648 -1.441 6.845 1.00 1.43 H new ATOM 1884 N SER A 132 -6.170 -2.550 9.377 1.00 0.49 N ATOM 1885 CA SER A 132 -5.970 -3.934 8.998 1.00 0.59 C ATOM 1886 C SER A 132 -6.782 -4.240 7.732 1.00 0.68 C ATOM 1887 O SER A 132 -6.803 -5.372 7.252 1.00 0.97 O ATOM 1888 CB SER A 132 -6.360 -4.839 10.172 1.00 0.69 C ATOM 1889 OG SER A 132 -6.257 -6.213 9.841 1.00 1.43 O ATOM 0 H SER A 132 -6.890 -2.410 10.085 1.00 0.49 H new ATOM 0 HA SER A 132 -4.921 -4.122 8.767 1.00 0.59 H new ATOM 0 HB2 SER A 132 -5.717 -4.623 11.025 1.00 0.69 H new ATOM 0 HB3 SER A 132 -7.382 -4.616 10.478 1.00 0.69 H new ATOM 0 HG SER A 132 -6.251 -6.315 8.866 1.00 1.43 H new ATOM 1895 N THR A 133 -7.431 -3.184 7.211 1.00 0.72 N ATOM 1896 CA THR A 133 -8.162 -3.194 5.932 1.00 0.93 C ATOM 1897 C THR A 133 -9.011 -4.448 5.733 1.00 0.69 C ATOM 1898 O THR A 133 -9.646 -4.935 6.671 1.00 1.11 O ATOM 1899 CB THR A 133 -7.205 -2.994 4.719 1.00 1.84 C ATOM 1900 OG1 THR A 133 -7.955 -2.824 3.509 1.00 2.38 O ATOM 1901 CG2 THR A 133 -6.220 -4.152 4.549 1.00 2.26 C ATOM 0 H THR A 133 -7.462 -2.278 7.679 1.00 0.72 H new ATOM 0 HA THR A 133 -8.847 -2.347 5.982 1.00 0.93 H new ATOM 0 HB THR A 133 -6.626 -2.094 4.926 1.00 1.84 H new ATOM 0 HG1 THR A 133 -7.402 -2.365 2.843 1.00 2.38 H new ATOM 0 HG21 THR A 133 -5.578 -3.960 3.689 1.00 2.26 H new ATOM 0 HG22 THR A 133 -5.608 -4.244 5.446 1.00 2.26 H new ATOM 0 HG23 THR A 133 -6.772 -5.079 4.390 1.00 2.26 H new ATOM 1909 N ALA A 134 -9.065 -4.888 4.479 1.00 0.82 N ATOM 1910 CA ALA A 134 -9.690 -6.125 4.075 1.00 1.50 C ATOM 1911 C ALA A 134 -11.204 -5.996 3.995 1.00 1.30 C ATOM 1912 O ALA A 134 -11.916 -7.005 3.999 1.00 1.86 O ATOM 1913 CB ALA A 134 -9.275 -7.257 5.005 1.00 2.33 C ATOM 0 H ALA A 134 -8.660 -4.371 3.699 1.00 0.82 H new ATOM 0 HA ALA A 134 -9.343 -6.363 3.070 1.00 1.50 H new ATOM 0 HB1 ALA A 134 -9.754 -8.183 4.687 1.00 2.33 H new ATOM 0 HB2 ALA A 134 -8.192 -7.378 4.970 1.00 2.33 H new ATOM 0 HB3 ALA A 134 -9.581 -7.021 6.024 1.00 2.33 H new ATOM 1919 N ILE A 135 -11.703 -4.766 3.887 1.00 0.99 N ATOM 1920 CA ILE A 135 -13.142 -4.570 3.779 1.00 0.96 C ATOM 1921 C ILE A 135 -13.520 -3.139 3.381 1.00 1.21 C ATOM 1922 O ILE A 135 -13.017 -2.158 3.936 1.00 2.09 O ATOM 1923 CB ILE A 135 -13.849 -4.965 5.102 1.00 1.26 C ATOM 1924 CG1 ILE A 135 -15.370 -4.959 4.944 1.00 1.57 C ATOM 1925 CG2 ILE A 135 -13.430 -4.053 6.246 1.00 1.67 C ATOM 1926 CD1 ILE A 135 -15.885 -6.030 4.006 1.00 1.72 C ATOM 0 H ILE A 135 -11.146 -3.911 3.872 1.00 0.99 H new ATOM 0 HA ILE A 135 -13.485 -5.224 2.977 1.00 0.96 H new ATOM 0 HB ILE A 135 -13.537 -5.981 5.344 1.00 1.26 H new ATOM 0 HG12 ILE A 135 -15.829 -5.094 5.923 1.00 1.57 H new ATOM 0 HG13 ILE A 135 -15.685 -3.983 4.576 1.00 1.57 H new ATOM 0 HG21 ILE A 135 -13.943 -4.356 7.159 1.00 1.67 H new ATOM 0 HG22 ILE A 135 -12.353 -4.126 6.394 1.00 1.67 H new ATOM 0 HG23 ILE A 135 -13.694 -3.023 6.006 1.00 1.67 H new ATOM 0 HD11 ILE A 135 -16.971 -5.966 3.942 1.00 1.72 H new ATOM 0 HD12 ILE A 135 -15.454 -5.884 3.015 1.00 1.72 H new ATOM 0 HD13 ILE A 135 -15.601 -7.012 4.384 1.00 1.72 H new ATOM 1938 N THR A 136 -14.413 -3.049 2.398 1.00 1.18 N ATOM 1939 CA THR A 136 -14.904 -1.768 1.889 1.00 1.62 C ATOM 1940 C THR A 136 -15.706 -0.968 2.911 1.00 1.09 C ATOM 1941 O THR A 136 -15.305 0.134 3.252 1.00 1.00 O ATOM 1942 CB THR A 136 -15.754 -1.941 0.609 1.00 2.43 C ATOM 1943 OG1 THR A 136 -14.912 -2.281 -0.478 1.00 3.11 O ATOM 1944 CG2 THR A 136 -16.527 -0.677 0.256 1.00 3.17 C ATOM 0 H THR A 136 -14.817 -3.861 1.931 1.00 1.18 H new ATOM 0 HA THR A 136 -14.001 -1.203 1.657 1.00 1.62 H new ATOM 0 HB THR A 136 -16.475 -2.735 0.803 1.00 2.43 H new ATOM 0 HG1 THR A 136 -14.966 -1.583 -1.164 1.00 3.11 H new ATOM 0 HG21 THR A 136 -17.109 -0.847 -0.650 1.00 3.17 H new ATOM 0 HG22 THR A 136 -17.198 -0.420 1.076 1.00 3.17 H new ATOM 0 HG23 THR A 136 -15.828 0.142 0.089 1.00 3.17 H new ATOM 1952 N PRO A 137 -16.852 -1.489 3.399 1.00 1.02 N ATOM 1953 CA PRO A 137 -17.786 -0.716 4.233 1.00 1.06 C ATOM 1954 C PRO A 137 -17.120 0.117 5.337 1.00 0.97 C ATOM 1955 O PRO A 137 -17.542 1.235 5.612 1.00 1.12 O ATOM 1956 CB PRO A 137 -18.671 -1.801 4.839 1.00 1.46 C ATOM 1957 CG PRO A 137 -18.726 -2.844 3.790 1.00 1.55 C ATOM 1958 CD PRO A 137 -17.361 -2.861 3.164 1.00 1.31 C ATOM 0 HA PRO A 137 -18.313 0.032 3.640 1.00 1.06 H new ATOM 0 HB2 PRO A 137 -18.249 -2.189 5.766 1.00 1.46 H new ATOM 0 HB3 PRO A 137 -19.664 -1.420 5.076 1.00 1.46 H new ATOM 0 HG2 PRO A 137 -18.974 -3.816 4.217 1.00 1.55 H new ATOM 0 HG3 PRO A 137 -19.493 -2.616 3.050 1.00 1.55 H new ATOM 0 HD2 PRO A 137 -16.718 -3.611 3.624 1.00 1.31 H new ATOM 0 HD3 PRO A 137 -17.411 -3.093 2.100 1.00 1.31 H new ATOM 1966 N ALA A 138 -16.082 -0.421 5.959 1.00 1.04 N ATOM 1967 CA ALA A 138 -15.388 0.293 7.027 1.00 1.16 C ATOM 1968 C ALA A 138 -14.359 1.276 6.463 1.00 0.92 C ATOM 1969 O ALA A 138 -14.128 2.347 7.024 1.00 0.97 O ATOM 1970 CB ALA A 138 -14.715 -0.698 7.962 1.00 1.54 C ATOM 0 H ALA A 138 -15.701 -1.343 5.747 1.00 1.04 H new ATOM 0 HA ALA A 138 -16.126 0.868 7.586 1.00 1.16 H new ATOM 0 HB1 ALA A 138 -14.200 -0.157 8.756 1.00 1.54 H new ATOM 0 HB2 ALA A 138 -15.467 -1.354 8.399 1.00 1.54 H new ATOM 0 HB3 ALA A 138 -13.994 -1.295 7.402 1.00 1.54 H new ATOM 1976 N GLU A 139 -13.750 0.903 5.349 1.00 0.82 N ATOM 1977 CA GLU A 139 -12.686 1.693 4.739 1.00 0.81 C ATOM 1978 C GLU A 139 -13.251 2.792 3.842 1.00 0.71 C ATOM 1979 O GLU A 139 -13.044 3.985 4.083 1.00 0.80 O ATOM 1980 CB GLU A 139 -11.783 0.760 3.933 1.00 0.97 C ATOM 1981 CG GLU A 139 -10.503 1.402 3.430 1.00 1.27 C ATOM 1982 CD GLU A 139 -9.507 0.364 2.952 1.00 1.55 C ATOM 1983 OE1 GLU A 139 -9.036 -0.431 3.799 1.00 1.90 O ATOM 1984 OE2 GLU A 139 -9.201 0.335 1.750 1.00 2.13 O ATOM 0 H GLU A 139 -13.976 0.048 4.842 1.00 0.82 H new ATOM 0 HA GLU A 139 -12.112 2.181 5.526 1.00 0.81 H new ATOM 0 HB2 GLU A 139 -11.525 -0.099 4.552 1.00 0.97 H new ATOM 0 HB3 GLU A 139 -12.344 0.380 3.079 1.00 0.97 H new ATOM 0 HG2 GLU A 139 -10.735 2.087 2.614 1.00 1.27 H new ATOM 0 HG3 GLU A 139 -10.056 1.996 4.227 1.00 1.27 H new ATOM 1991 N ALA A 140 -13.979 2.371 2.816 1.00 0.71 N ATOM 1992 CA ALA A 140 -14.501 3.269 1.795 1.00 0.90 C ATOM 1993 C ALA A 140 -15.425 4.331 2.376 1.00 0.85 C ATOM 1994 O ALA A 140 -15.312 5.506 2.042 1.00 1.08 O ATOM 1995 CB ALA A 140 -15.239 2.466 0.740 1.00 1.09 C ATOM 0 H ALA A 140 -14.225 1.392 2.668 1.00 0.71 H new ATOM 0 HA ALA A 140 -13.653 3.787 1.348 1.00 0.90 H new ATOM 0 HB1 ALA A 140 -15.629 3.140 -0.023 1.00 1.09 H new ATOM 0 HB2 ALA A 140 -14.554 1.754 0.280 1.00 1.09 H new ATOM 0 HB3 ALA A 140 -16.065 1.927 1.205 1.00 1.09 H new ATOM 2001 N ALA A 141 -16.326 3.912 3.255 1.00 0.71 N ATOM 2002 CA ALA A 141 -17.341 4.809 3.786 1.00 0.82 C ATOM 2003 C ALA A 141 -16.733 5.903 4.659 1.00 0.79 C ATOM 2004 O ALA A 141 -17.254 7.018 4.715 1.00 0.92 O ATOM 2005 CB ALA A 141 -18.384 4.028 4.571 1.00 0.95 C ATOM 0 H ALA A 141 -16.374 2.958 3.614 1.00 0.71 H new ATOM 0 HA ALA A 141 -17.823 5.294 2.937 1.00 0.82 H new ATOM 0 HB1 ALA A 141 -19.135 4.715 4.961 1.00 0.95 H new ATOM 0 HB2 ALA A 141 -18.863 3.300 3.916 1.00 0.95 H new ATOM 0 HB3 ALA A 141 -17.902 3.509 5.400 1.00 0.95 H new ATOM 2011 N THR A 142 -15.632 5.596 5.330 1.00 0.72 N ATOM 2012 CA THR A 142 -15.035 6.543 6.251 1.00 0.83 C ATOM 2013 C THR A 142 -14.069 7.500 5.544 1.00 0.97 C ATOM 2014 O THR A 142 -14.062 8.700 5.825 1.00 1.17 O ATOM 2015 CB THR A 142 -14.306 5.810 7.390 1.00 0.84 C ATOM 2016 OG1 THR A 142 -15.121 4.727 7.857 1.00 0.81 O ATOM 2017 CG2 THR A 142 -14.020 6.752 8.546 1.00 1.00 C ATOM 0 H THR A 142 -15.140 4.706 5.253 1.00 0.72 H new ATOM 0 HA THR A 142 -15.848 7.136 6.669 1.00 0.83 H new ATOM 0 HB THR A 142 -13.359 5.431 7.006 1.00 0.84 H new ATOM 0 HG1 THR A 142 -14.746 3.877 7.544 1.00 0.81 H new ATOM 0 HG21 THR A 142 -13.504 6.210 9.338 1.00 1.00 H new ATOM 0 HG22 THR A 142 -13.392 7.573 8.200 1.00 1.00 H new ATOM 0 HG23 THR A 142 -14.958 7.151 8.931 1.00 1.00 H new ATOM 2025 N ALA A 143 -13.274 6.976 4.618 1.00 0.97 N ATOM 2026 CA ALA A 143 -12.247 7.786 3.967 1.00 1.19 C ATOM 2027 C ALA A 143 -12.516 8.008 2.483 1.00 1.05 C ATOM 2028 O ALA A 143 -12.502 9.142 2.009 1.00 1.28 O ATOM 2029 CB ALA A 143 -10.884 7.147 4.143 1.00 1.42 C ATOM 0 H ALA A 143 -13.318 6.007 4.303 1.00 0.97 H new ATOM 0 HA ALA A 143 -12.270 8.762 4.451 1.00 1.19 H new ATOM 0 HB1 ALA A 143 -10.128 7.761 3.653 1.00 1.42 H new ATOM 0 HB2 ALA A 143 -10.654 7.067 5.205 1.00 1.42 H new ATOM 0 HB3 ALA A 143 -10.888 6.152 3.697 1.00 1.42 H new ATOM 2035 N CYS A 144 -12.760 6.925 1.753 1.00 0.87 N ATOM 2036 CA CYS A 144 -12.833 6.981 0.294 1.00 0.96 C ATOM 2037 C CYS A 144 -14.159 7.574 -0.183 1.00 0.91 C ATOM 2038 O CYS A 144 -14.991 6.886 -0.776 1.00 1.26 O ATOM 2039 CB CYS A 144 -12.626 5.582 -0.297 1.00 1.28 C ATOM 2040 SG CYS A 144 -12.390 5.548 -2.104 1.00 1.45 S ATOM 0 H CYS A 144 -12.911 5.996 2.146 1.00 0.87 H new ATOM 0 HA CYS A 144 -12.037 7.638 -0.056 1.00 0.96 H new ATOM 0 HB2 CYS A 144 -11.757 5.126 0.178 1.00 1.28 H new ATOM 0 HB3 CYS A 144 -13.488 4.964 -0.045 1.00 1.28 H new ATOM 2045 N LYS A 145 -14.354 8.851 0.107 1.00 1.09 N ATOM 2046 CA LYS A 145 -15.534 9.574 -0.344 1.00 1.29 C ATOM 2047 C LYS A 145 -15.135 10.914 -0.952 1.00 1.29 C ATOM 2048 O LYS A 145 -15.217 11.104 -2.165 1.00 2.01 O ATOM 2049 CB LYS A 145 -16.512 9.789 0.816 1.00 1.65 C ATOM 2050 CG LYS A 145 -17.141 8.505 1.333 1.00 2.35 C ATOM 2051 CD LYS A 145 -18.043 7.863 0.291 1.00 3.18 C ATOM 2052 CE LYS A 145 -18.584 6.527 0.774 1.00 4.04 C ATOM 2053 NZ LYS A 145 -19.557 5.941 -0.183 1.00 4.87 N ATOM 0 H LYS A 145 -13.704 9.412 0.657 1.00 1.09 H new ATOM 0 HA LYS A 145 -16.031 8.976 -1.108 1.00 1.29 H new ATOM 0 HB2 LYS A 145 -15.987 10.281 1.635 1.00 1.65 H new ATOM 0 HB3 LYS A 145 -17.303 10.465 0.492 1.00 1.65 H new ATOM 0 HG2 LYS A 145 -16.356 7.804 1.617 1.00 2.35 H new ATOM 0 HG3 LYS A 145 -17.718 8.719 2.232 1.00 2.35 H new ATOM 0 HD2 LYS A 145 -18.873 8.532 0.063 1.00 3.18 H new ATOM 0 HD3 LYS A 145 -17.487 7.719 -0.635 1.00 3.18 H new ATOM 0 HE2 LYS A 145 -17.757 5.833 0.920 1.00 4.04 H new ATOM 0 HE3 LYS A 145 -19.064 6.660 1.743 1.00 4.04 H new ATOM 0 HZ1 LYS A 145 -19.901 5.031 0.185 1.00 4.87 H new ATOM 0 HZ2 LYS A 145 -20.360 6.591 -0.304 1.00 4.87 H new ATOM 0 HZ3 LYS A 145 -19.093 5.790 -1.101 1.00 4.87 H new ATOM 2067 N ASN A 146 -14.679 11.835 -0.110 1.00 1.10 N ATOM 2068 CA ASN A 146 -14.320 13.173 -0.566 1.00 1.21 C ATOM 2069 C ASN A 146 -12.815 13.385 -0.562 1.00 1.25 C ATOM 2070 O ASN A 146 -12.338 14.504 -0.765 1.00 1.88 O ATOM 2071 CB ASN A 146 -14.997 14.241 0.293 1.00 1.56 C ATOM 2072 CG ASN A 146 -16.474 14.369 -0.006 1.00 2.22 C ATOM 2073 OD1 ASN A 146 -17.307 13.694 0.597 1.00 2.76 O ATOM 2074 ND2 ASN A 146 -16.808 15.241 -0.940 1.00 2.97 N ATOM 0 H ASN A 146 -14.549 11.680 0.890 1.00 1.10 H new ATOM 0 HA ASN A 146 -14.673 13.266 -1.593 1.00 1.21 H new ATOM 0 HB2 ASN A 146 -14.862 13.996 1.346 1.00 1.56 H new ATOM 0 HB3 ASN A 146 -14.510 15.202 0.125 1.00 1.56 H new ATOM 0 HD21 ASN A 146 -17.789 15.375 -1.185 1.00 2.97 H new ATOM 0 HD22 ASN A 146 -16.085 15.781 -1.416 1.00 2.97 H new ATOM 2081 N THR A 147 -12.063 12.322 -0.324 1.00 1.03 N ATOM 2082 CA THR A 147 -10.621 12.405 -0.442 1.00 1.07 C ATOM 2083 C THR A 147 -10.249 12.384 -1.930 1.00 1.14 C ATOM 2084 O THR A 147 -10.317 11.359 -2.605 1.00 2.01 O ATOM 2085 CB THR A 147 -9.902 11.286 0.365 1.00 1.20 C ATOM 2086 OG1 THR A 147 -8.480 11.476 0.332 1.00 1.79 O ATOM 2087 CG2 THR A 147 -10.247 9.895 -0.150 1.00 1.52 C ATOM 0 H THR A 147 -12.422 11.407 -0.052 1.00 1.03 H new ATOM 0 HA THR A 147 -10.277 13.342 -0.004 1.00 1.07 H new ATOM 0 HB THR A 147 -10.255 11.358 1.394 1.00 1.20 H new ATOM 0 HG1 THR A 147 -8.274 12.426 0.456 1.00 1.79 H new ATOM 0 HG21 THR A 147 -9.722 9.147 0.444 1.00 1.52 H new ATOM 0 HG22 THR A 147 -11.322 9.733 -0.069 1.00 1.52 H new ATOM 0 HG23 THR A 147 -9.944 9.808 -1.193 1.00 1.52 H new ATOM 2095 N ASP A 148 -9.936 13.560 -2.445 1.00 0.94 N ATOM 2096 CA ASP A 148 -9.689 13.735 -3.868 1.00 1.01 C ATOM 2097 C ASP A 148 -8.267 14.213 -4.107 1.00 0.89 C ATOM 2098 O ASP A 148 -7.472 13.532 -4.745 1.00 0.88 O ATOM 2099 CB ASP A 148 -10.694 14.740 -4.437 1.00 1.33 C ATOM 2100 CG ASP A 148 -10.416 15.114 -5.877 1.00 1.89 C ATOM 2101 OD1 ASP A 148 -10.644 14.263 -6.765 1.00 2.20 O ATOM 2102 OD2 ASP A 148 -9.941 16.240 -6.125 1.00 2.54 O ATOM 0 H ASP A 148 -9.846 14.415 -1.895 1.00 0.94 H new ATOM 0 HA ASP A 148 -9.813 12.777 -4.374 1.00 1.01 H new ATOM 0 HB2 ASP A 148 -11.697 14.320 -4.365 1.00 1.33 H new ATOM 0 HB3 ASP A 148 -10.681 15.642 -3.825 1.00 1.33 H new ATOM 2107 N SER A 149 -7.940 15.373 -3.562 1.00 0.95 N ATOM 2108 CA SER A 149 -6.599 15.920 -3.692 1.00 1.01 C ATOM 2109 C SER A 149 -5.688 15.272 -2.653 1.00 0.85 C ATOM 2110 O SER A 149 -4.465 15.389 -2.711 1.00 1.07 O ATOM 2111 CB SER A 149 -6.631 17.442 -3.514 1.00 1.27 C ATOM 2112 OG SER A 149 -5.402 18.038 -3.901 1.00 1.53 O ATOM 0 H SER A 149 -8.584 15.954 -3.026 1.00 0.95 H new ATOM 0 HA SER A 149 -6.210 15.704 -4.687 1.00 1.01 H new ATOM 0 HB2 SER A 149 -7.443 17.862 -4.108 1.00 1.27 H new ATOM 0 HB3 SER A 149 -6.841 17.683 -2.472 1.00 1.27 H new ATOM 0 HG SER A 149 -4.940 17.452 -4.536 1.00 1.53 H new ATOM 2118 N THR A 150 -6.306 14.582 -1.708 1.00 0.63 N ATOM 2119 CA THR A 150 -5.584 13.894 -0.654 1.00 0.67 C ATOM 2120 C THR A 150 -5.689 12.384 -0.825 1.00 0.56 C ATOM 2121 O THR A 150 -5.328 11.625 0.073 1.00 0.64 O ATOM 2122 CB THR A 150 -6.144 14.282 0.724 1.00 0.92 C ATOM 2123 OG1 THR A 150 -7.575 14.152 0.717 1.00 1.15 O ATOM 2124 CG2 THR A 150 -5.759 15.709 1.089 1.00 1.26 C ATOM 0 H THR A 150 -7.320 14.484 -1.651 1.00 0.63 H new ATOM 0 HA THR A 150 -4.537 14.192 -0.719 1.00 0.67 H new ATOM 0 HB THR A 150 -5.717 13.612 1.470 1.00 0.92 H new ATOM 0 HG1 THR A 150 -7.930 14.398 1.597 1.00 1.15 H new ATOM 0 HG21 THR A 150 -6.168 15.957 2.068 1.00 1.26 H new ATOM 0 HG22 THR A 150 -4.673 15.797 1.117 1.00 1.26 H new ATOM 0 HG23 THR A 150 -6.160 16.396 0.344 1.00 1.26 H new ATOM 2132 N ASN A 151 -6.171 11.951 -1.985 1.00 0.49 N ATOM 2133 CA ASN A 151 -6.424 10.534 -2.215 1.00 0.47 C ATOM 2134 C ASN A 151 -5.126 9.781 -2.470 1.00 0.44 C ATOM 2135 O ASN A 151 -4.675 9.643 -3.608 1.00 0.59 O ATOM 2136 CB ASN A 151 -7.388 10.332 -3.384 1.00 0.57 C ATOM 2137 CG ASN A 151 -7.864 8.894 -3.498 1.00 0.69 C ATOM 2138 OD1 ASN A 151 -7.950 8.171 -2.505 1.00 1.21 O ATOM 2139 ND2 ASN A 151 -8.175 8.468 -4.712 1.00 0.79 N ATOM 0 H ASN A 151 -6.393 12.556 -2.775 1.00 0.49 H new ATOM 0 HA ASN A 151 -6.885 10.132 -1.313 1.00 0.47 H new ATOM 0 HB2 ASN A 151 -8.249 10.988 -3.259 1.00 0.57 H new ATOM 0 HB3 ASN A 151 -6.896 10.624 -4.312 1.00 0.57 H new ATOM 0 HD21 ASN A 151 -8.499 7.511 -4.849 1.00 0.79 H new ATOM 0 HD22 ASN A 151 -8.091 9.097 -5.510 1.00 0.79 H new ATOM 2146 N LYS A 152 -4.510 9.331 -1.389 1.00 0.41 N ATOM 2147 CA LYS A 152 -3.288 8.550 -1.471 1.00 0.41 C ATOM 2148 C LYS A 152 -3.233 7.513 -0.365 1.00 0.39 C ATOM 2149 O LYS A 152 -3.147 7.852 0.816 1.00 0.48 O ATOM 2150 CB LYS A 152 -2.039 9.446 -1.433 1.00 0.48 C ATOM 2151 CG LYS A 152 -2.234 10.828 -0.805 1.00 0.67 C ATOM 2152 CD LYS A 152 -2.287 10.792 0.719 1.00 0.85 C ATOM 2153 CE LYS A 152 -2.224 12.202 1.296 1.00 0.82 C ATOM 2154 NZ LYS A 152 -2.423 12.229 2.773 1.00 1.35 N ATOM 0 H LYS A 152 -4.840 9.495 -0.438 1.00 0.41 H new ATOM 0 HA LYS A 152 -3.297 8.033 -2.430 1.00 0.41 H new ATOM 0 HB2 LYS A 152 -1.256 8.924 -0.883 1.00 0.48 H new ATOM 0 HB3 LYS A 152 -1.678 9.578 -2.453 1.00 0.48 H new ATOM 0 HG2 LYS A 152 -1.420 11.481 -1.119 1.00 0.67 H new ATOM 0 HG3 LYS A 152 -3.157 11.266 -1.184 1.00 0.67 H new ATOM 0 HD2 LYS A 152 -3.205 10.302 1.044 1.00 0.85 H new ATOM 0 HD3 LYS A 152 -1.456 10.200 1.102 1.00 0.85 H new ATOM 0 HE2 LYS A 152 -1.258 12.646 1.056 1.00 0.82 H new ATOM 0 HE3 LYS A 152 -2.986 12.819 0.820 1.00 0.82 H new ATOM 0 HZ1 LYS A 152 -1.914 13.041 3.177 1.00 1.35 H new ATOM 0 HZ2 LYS A 152 -3.437 12.315 2.985 1.00 1.35 H new ATOM 0 HZ3 LYS A 152 -2.056 11.349 3.189 1.00 1.35 H new ATOM 2168 N VAL A 153 -3.307 6.251 -0.747 1.00 0.36 N ATOM 2169 CA VAL A 153 -3.218 5.174 0.204 1.00 0.37 C ATOM 2170 C VAL A 153 -1.980 4.318 -0.058 1.00 0.35 C ATOM 2171 O VAL A 153 -1.961 3.457 -0.939 1.00 0.43 O ATOM 2172 CB VAL A 153 -4.493 4.298 0.175 1.00 0.43 C ATOM 2173 CG1 VAL A 153 -5.647 5.007 0.861 1.00 1.18 C ATOM 2174 CG2 VAL A 153 -4.888 3.936 -1.247 1.00 1.32 C ATOM 0 H VAL A 153 -3.429 5.953 -1.715 1.00 0.36 H new ATOM 0 HA VAL A 153 -3.130 5.615 1.197 1.00 0.37 H new ATOM 0 HB VAL A 153 -4.266 3.378 0.713 1.00 0.43 H new ATOM 0 HG11 VAL A 153 -6.534 4.374 0.829 1.00 1.18 H new ATOM 0 HG12 VAL A 153 -5.384 5.211 1.899 1.00 1.18 H new ATOM 0 HG13 VAL A 153 -5.854 5.946 0.348 1.00 1.18 H new ATOM 0 HG21 VAL A 153 -5.787 3.320 -1.229 1.00 1.32 H new ATOM 0 HG22 VAL A 153 -5.083 4.847 -1.814 1.00 1.32 H new ATOM 0 HG23 VAL A 153 -4.078 3.381 -1.720 1.00 1.32 H new ATOM 2184 N THR A 154 -0.931 4.592 0.693 1.00 0.35 N ATOM 2185 CA THR A 154 0.258 3.764 0.678 1.00 0.38 C ATOM 2186 C THR A 154 0.092 2.575 1.629 1.00 0.37 C ATOM 2187 O THR A 154 -0.185 2.772 2.816 1.00 0.47 O ATOM 2188 CB THR A 154 1.464 4.609 1.111 1.00 0.52 C ATOM 2189 OG1 THR A 154 1.206 5.190 2.398 1.00 0.94 O ATOM 2190 CG2 THR A 154 1.732 5.716 0.101 1.00 0.96 C ATOM 0 H THR A 154 -0.879 5.390 1.327 1.00 0.35 H new ATOM 0 HA THR A 154 0.416 3.382 -0.331 1.00 0.38 H new ATOM 0 HB THR A 154 2.341 3.963 1.165 1.00 0.52 H new ATOM 0 HG1 THR A 154 0.563 4.634 2.885 1.00 0.94 H new ATOM 0 HG21 THR A 154 2.590 6.304 0.425 1.00 0.96 H new ATOM 0 HG22 THR A 154 1.941 5.276 -0.874 1.00 0.96 H new ATOM 0 HG23 THR A 154 0.857 6.361 0.028 1.00 0.96 H new ATOM 2198 N TYR A 155 0.229 1.339 1.136 1.00 0.35 N ATOM 2199 CA TYR A 155 0.084 0.196 2.030 1.00 0.38 C ATOM 2200 C TYR A 155 1.140 -0.882 1.800 1.00 0.38 C ATOM 2201 O TYR A 155 1.616 -1.085 0.687 1.00 0.61 O ATOM 2202 CB TYR A 155 -1.327 -0.398 1.926 1.00 0.41 C ATOM 2203 CG TYR A 155 -1.706 -0.929 0.560 1.00 0.43 C ATOM 2204 CD1 TYR A 155 -2.114 -0.066 -0.450 1.00 0.50 C ATOM 2205 CD2 TYR A 155 -1.638 -2.290 0.276 1.00 0.53 C ATOM 2206 CE1 TYR A 155 -2.450 -0.539 -1.700 1.00 0.61 C ATOM 2207 CE2 TYR A 155 -1.972 -2.773 -0.975 1.00 0.63 C ATOM 2208 CZ TYR A 155 -2.427 -1.915 -1.936 1.00 0.65 C ATOM 2209 OH TYR A 155 -2.719 -2.378 -3.201 1.00 0.79 O ATOM 0 H TYR A 155 0.432 1.113 0.162 1.00 0.35 H new ATOM 0 HA TYR A 155 0.240 0.572 3.041 1.00 0.38 H new ATOM 0 HB2 TYR A 155 -1.417 -1.208 2.650 1.00 0.41 H new ATOM 0 HB3 TYR A 155 -2.048 0.368 2.213 1.00 0.41 H new ATOM 0 HD1 TYR A 155 -2.169 0.994 -0.252 1.00 0.50 H new ATOM 0 HD2 TYR A 155 -1.320 -2.979 1.045 1.00 0.53 H new ATOM 0 HE1 TYR A 155 -2.728 0.146 -2.487 1.00 0.61 H new ATOM 0 HE2 TYR A 155 -1.874 -3.826 -1.193 1.00 0.63 H new ATOM 0 HH TYR A 155 -2.451 -1.708 -3.864 1.00 0.79 H new ATOM 2219 N PHE A 156 1.504 -1.560 2.879 1.00 0.41 N ATOM 2220 CA PHE A 156 2.432 -2.677 2.825 1.00 0.44 C ATOM 2221 C PHE A 156 1.664 -3.978 2.644 1.00 0.46 C ATOM 2222 O PHE A 156 0.620 -4.186 3.269 1.00 0.46 O ATOM 2223 CB PHE A 156 3.270 -2.750 4.105 1.00 0.44 C ATOM 2224 CG PHE A 156 4.227 -1.607 4.277 1.00 0.45 C ATOM 2225 CD1 PHE A 156 3.800 -0.401 4.801 1.00 0.53 C ATOM 2226 CD2 PHE A 156 5.557 -1.744 3.916 1.00 0.55 C ATOM 2227 CE1 PHE A 156 4.680 0.650 4.962 1.00 0.61 C ATOM 2228 CE2 PHE A 156 6.444 -0.697 4.073 1.00 0.62 C ATOM 2229 CZ PHE A 156 6.005 0.501 4.597 1.00 0.62 C ATOM 0 H PHE A 156 1.163 -1.350 3.817 1.00 0.41 H new ATOM 0 HA PHE A 156 3.102 -2.526 1.978 1.00 0.44 H new ATOM 0 HB2 PHE A 156 2.600 -2.781 4.964 1.00 0.44 H new ATOM 0 HB3 PHE A 156 3.832 -3.684 4.106 1.00 0.44 H new ATOM 0 HD1 PHE A 156 2.766 -0.280 5.088 1.00 0.53 H new ATOM 0 HD2 PHE A 156 5.905 -2.681 3.507 1.00 0.55 H new ATOM 0 HE1 PHE A 156 4.334 1.587 5.372 1.00 0.61 H new ATOM 0 HE2 PHE A 156 7.478 -0.816 3.786 1.00 0.62 H new ATOM 0 HZ PHE A 156 6.696 1.322 4.722 1.00 0.62 H new ATOM 2239 N MET A 157 2.187 -4.860 1.815 1.00 0.59 N ATOM 2240 CA MET A 157 1.506 -6.105 1.516 1.00 0.68 C ATOM 2241 C MET A 157 2.504 -7.259 1.541 1.00 0.82 C ATOM 2242 O MET A 157 3.636 -7.119 1.082 1.00 1.12 O ATOM 2243 CB MET A 157 0.786 -6.008 0.162 1.00 0.83 C ATOM 2244 CG MET A 157 -0.181 -7.152 -0.102 1.00 1.47 C ATOM 2245 SD MET A 157 -1.019 -7.025 -1.694 1.00 2.50 S ATOM 2246 CE MET A 157 -2.074 -8.473 -1.633 1.00 3.27 C ATOM 0 H MET A 157 3.080 -4.738 1.337 1.00 0.59 H new ATOM 0 HA MET A 157 0.749 -6.296 2.277 1.00 0.68 H new ATOM 0 HB2 MET A 157 0.240 -5.066 0.118 1.00 0.83 H new ATOM 0 HB3 MET A 157 1.530 -5.983 -0.634 1.00 0.83 H new ATOM 0 HG2 MET A 157 0.363 -8.096 -0.060 1.00 1.47 H new ATOM 0 HG3 MET A 157 -0.927 -7.179 0.692 1.00 1.47 H new ATOM 0 HE1 MET A 157 -3.018 -8.256 -2.132 1.00 3.27 H new ATOM 0 HE2 MET A 157 -1.580 -9.304 -2.136 1.00 3.27 H new ATOM 0 HE3 MET A 157 -2.266 -8.740 -0.594 1.00 3.27 H new ATOM 2256 N LYS A 158 2.085 -8.361 2.145 1.00 0.75 N ATOM 2257 CA LYS A 158 2.917 -9.548 2.311 1.00 0.96 C ATOM 2258 C LYS A 158 3.447 -10.069 0.974 1.00 1.43 C ATOM 2259 O LYS A 158 2.639 -10.584 0.175 1.00 1.89 O ATOM 2260 CB LYS A 158 2.105 -10.633 3.019 1.00 0.95 C ATOM 2261 CG LYS A 158 2.903 -11.873 3.379 1.00 1.11 C ATOM 2262 CD LYS A 158 2.004 -12.980 3.902 1.00 1.49 C ATOM 2263 CE LYS A 158 1.155 -12.502 5.066 1.00 1.88 C ATOM 2264 NZ LYS A 158 0.303 -13.583 5.615 1.00 2.24 N ATOM 2265 OXT LYS A 158 4.678 -9.995 0.756 1.00 2.11 O ATOM 0 H LYS A 158 1.149 -8.459 2.538 1.00 0.75 H new ATOM 0 HA LYS A 158 3.784 -9.276 2.914 1.00 0.96 H new ATOM 0 HB2 LYS A 158 1.676 -10.214 3.929 1.00 0.95 H new ATOM 0 HB3 LYS A 158 1.272 -10.924 2.379 1.00 0.95 H new ATOM 0 HG2 LYS A 158 3.444 -12.226 2.501 1.00 1.11 H new ATOM 0 HG3 LYS A 158 3.648 -11.621 4.133 1.00 1.11 H new ATOM 0 HD2 LYS A 158 1.357 -13.335 3.100 1.00 1.49 H new ATOM 0 HD3 LYS A 158 2.613 -13.827 4.218 1.00 1.49 H new ATOM 0 HE2 LYS A 158 1.803 -12.117 5.853 1.00 1.88 H new ATOM 0 HE3 LYS A 158 0.525 -11.675 4.739 1.00 1.88 H new ATOM 0 HZ1 LYS A 158 0.244 -13.487 6.649 1.00 2.24 H new ATOM 0 HZ2 LYS A 158 -0.651 -13.515 5.206 1.00 2.24 H new ATOM 0 HZ3 LYS A 158 0.717 -14.507 5.376 1.00 2.24 H new TER 2279 LYS A 158