USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1082 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 102 THR OG1 : rot 180:sc= 0.0018 USER MOD Set 1.2: A 111 ASN : amide:sc= 0.00183 X(o=0.0036,f=0.48) USER MOD Set 2.1: A 100 SER OG : rot 130:sc= 0 USER MOD Set 2.2: A 113 MET CE :methyl 175:sc= 0 (180deg=-0.0514) USER MOD Set 3.1: A 73 THR OG1 : rot -69:sc= 0.527 USER MOD Set 3.2: A 75 THR OG1 : rot 114:sc= 0.155 USER MOD Set 4.1: A 47 HIS : no HE2:sc= 0.361 K(o=0.36,f=-1.3) USER MOD Set 4.2: A 64 THR OG1 : rot -18:sc= 0.00394 USER MOD Set 5.1: A 31 LYS NZ :NH3+ 142:sc= 0.268 (180deg=-0.031) USER MOD Set 5.2: A 56 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 2 SER OG : rot 39:sc= 0.178 USER MOD Set 6.2: A 4 SER OG : rot 180:sc= 0 USER MOD Set 6.3: A 43 GLN : amide:sc= 0.407 K(o=0.58,f=-2.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -148:sc= 1.23 (180deg=0.795) USER MOD Single : A 7 TYR OH : rot 10:sc= 0.278 USER MOD Single : A 8 GLN : amide:sc= 0.0412 X(o=0.041,f=-0.14) USER MOD Single : A -2 HIS : no HD1:sc= -0.0761 X(o=-0.076,f=-0.23) USER MOD Single : A -3 HIS : no HD1:sc= 0 X(o=0,f=-0.087) USER MOD Single : A -4 HIS : no HD1:sc= 0 K(o=0,f=-0.64) USER MOD Single : A -5 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.26) USER MOD Single : A -6 HIS : no HE2:sc= 0.768 K(o=0.77,f=-2.4!) USER MOD Single : A -7 HIS : no HD1:sc= 0.00861 K(o=0.0086,f=-0.83) USER MOD Single : A -7 HIS N :NH3+ 160:sc= 0.073 (180deg=0.0108) USER MOD Single : A 10 GLN : amide:sc= 0.106 X(o=0.11,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0.0502 K(o=0.05,f=-3.7!) USER MOD Single : A 14 ASN : amide:sc= 0.741 K(o=0.74,f=-0.28) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00435) USER MOD Single : A 30 GLN : amide:sc= 0.353 X(o=0.35,f=-0.14) USER MOD Single : A 33 LYS NZ :NH3+ -132:sc= 0.0533 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -158:sc= 0.00237 (180deg=0) USER MOD Single : A 39 SER OG : rot 21:sc= 0.288 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 166:sc= 1.25 (180deg=0.935) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -121:sc= -0.0459 (180deg=-1.12) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 61 ASN : amide:sc= -0.369 X(o=-0.37,f=0) USER MOD Single : A 69 CYS SG : rot -20:sc= 0.0193 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 1.14 (180deg=1.12) USER MOD Single : A 80 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.21) USER MOD Single : A 81 THR OG1 : rot 39:sc= 0.184 USER MOD Single : A 84 GLN : amide:sc= -1.81 K(o=-1.8,f=-0.36) USER MOD Single : A 89 ASN : amide:sc= 0.114 X(o=0.11,f=-0.045) USER MOD Single : A 90 LYS NZ :NH3+ 176:sc= 1 (180deg=0.988) USER MOD Single : A 93 THR OG1 : rot 63:sc= 0.479 USER MOD Single : A 94 THR OG1 : rot 27:sc= 0.164 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0.114 X(o=0.11,f=0) USER MOD Single : A 110 THR OG1 : rot 129:sc= 0.0381 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 147:sc= 0.83 (180deg=0.109) USER MOD Single : A 124 SER OG : rot 120:sc= 0.0862 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A -7 26.241 -11.961 -8.852 1.00 21.13 N ATOM 2 CA HIS A -7 24.840 -11.975 -9.392 1.00 50.05 C ATOM 3 C HIS A -7 24.310 -13.355 -8.928 1.00 12.24 C ATOM 4 O HIS A -7 24.996 -14.366 -9.102 1.00 44.41 O ATOM 5 CB HIS A -7 24.798 -11.850 -10.933 1.00 43.24 C ATOM 6 CG HIS A -7 25.077 -10.478 -11.510 1.00 50.05 C ATOM 7 ND1 HIS A -7 25.922 -9.543 -10.930 1.00 22.34 N ATOM 8 CD2 HIS A -7 24.582 -9.866 -12.643 1.00 44.12 C ATOM 9 CE1 HIS A -7 25.910 -8.459 -11.712 1.00 43.51 C ATOM 10 NE2 HIS A -7 25.119 -8.584 -12.769 1.00 41.52 N ATOM 0 H1 HIS A -7 26.805 -11.257 -9.369 1.00 21.13 H new ATOM 0 H2 HIS A -7 26.221 -11.715 -7.842 1.00 21.13 H new ATOM 0 H3 HIS A -7 26.668 -12.902 -8.971 1.00 21.13 H new ATOM 0 HA HIS A -7 24.247 -11.132 -9.037 1.00 50.05 H new ATOM 0 HB2 HIS A -7 25.522 -12.549 -11.351 1.00 43.24 H new ATOM 0 HB3 HIS A -7 23.813 -12.169 -11.274 1.00 43.24 H new ATOM 0 HD2 HIS A -7 23.881 -10.314 -13.332 1.00 44.12 H new ATOM 0 HE1 HIS A -7 26.487 -7.570 -11.504 1.00 43.51 H new ATOM 0 HE2 HIS A -7 24.943 -7.900 -13.505 1.00 41.52 H new ATOM 18 N HIS A -6 23.024 -13.403 -8.534 1.00 75.54 N ATOM 19 CA HIS A -6 22.309 -14.615 -8.131 1.00 24.24 C ATOM 20 C HIS A -6 20.843 -14.502 -8.568 1.00 55.13 C ATOM 21 O HIS A -6 20.135 -13.610 -8.100 1.00 41.10 O ATOM 22 CB HIS A -6 22.423 -14.839 -6.599 1.00 65.50 C ATOM 23 CG HIS A -6 23.482 -15.816 -6.139 1.00 45.11 C ATOM 24 ND1 HIS A -6 24.750 -15.894 -6.687 1.00 42.44 N ATOM 25 CD2 HIS A -6 23.448 -16.797 -5.172 1.00 31.02 C ATOM 26 CE1 HIS A -6 25.405 -16.867 -6.050 1.00 14.24 C ATOM 27 NE2 HIS A -6 24.676 -17.460 -5.115 1.00 3.00 N ATOM 0 H HIS A -6 22.440 -12.568 -8.488 1.00 75.54 H new ATOM 0 HA HIS A -6 22.759 -15.480 -8.618 1.00 24.24 H new ATOM 0 HB2 HIS A -6 22.618 -13.876 -6.127 1.00 65.50 H new ATOM 0 HB3 HIS A -6 21.457 -15.184 -6.231 1.00 65.50 H new ATOM 0 HD1 HIS A -6 25.117 -15.313 -7.441 1.00 42.44 H new ATOM 0 HD2 HIS A -6 22.595 -17.021 -4.548 1.00 31.02 H new ATOM 0 HE1 HIS A -6 26.425 -17.143 -6.274 1.00 14.24 H new ATOM 35 N HIS A -5 20.417 -15.440 -9.430 1.00 22.14 N ATOM 36 CA HIS A -5 19.027 -15.645 -9.846 1.00 60.41 C ATOM 37 C HIS A -5 18.160 -16.207 -8.703 1.00 3.35 C ATOM 38 O HIS A -5 18.691 -16.799 -7.762 1.00 20.35 O ATOM 39 CB HIS A -5 19.010 -16.585 -11.072 1.00 1.11 C ATOM 40 CG HIS A -5 19.805 -17.863 -10.921 1.00 33.10 C ATOM 41 ND1 HIS A -5 20.961 -18.113 -11.642 1.00 64.31 N ATOM 42 CD2 HIS A -5 19.616 -18.975 -10.130 1.00 1.15 C ATOM 43 CE1 HIS A -5 21.408 -19.314 -11.266 1.00 61.44 C ATOM 44 NE2 HIS A -5 20.644 -19.894 -10.349 1.00 42.43 N ATOM 0 H HIS A -5 21.059 -16.099 -9.871 1.00 22.14 H new ATOM 0 HA HIS A -5 18.594 -14.682 -10.114 1.00 60.41 H new ATOM 0 HB2 HIS A -5 17.975 -16.845 -11.295 1.00 1.11 H new ATOM 0 HB3 HIS A -5 19.394 -16.038 -11.933 1.00 1.11 H new ATOM 0 HD2 HIS A -5 18.795 -19.115 -9.443 1.00 1.15 H new ATOM 0 HE1 HIS A -5 22.302 -19.768 -11.668 1.00 61.44 H new ATOM 0 HE2 HIS A -5 20.777 -20.803 -9.906 1.00 42.43 H new ATOM 52 N HIS A -4 16.839 -16.009 -8.814 1.00 23.42 N ATOM 53 CA HIS A -4 15.848 -16.500 -7.855 1.00 64.23 C ATOM 54 C HIS A -4 14.936 -17.507 -8.569 1.00 70.33 C ATOM 55 O HIS A -4 14.358 -17.168 -9.602 1.00 61.43 O ATOM 56 CB HIS A -4 15.021 -15.321 -7.292 1.00 61.11 C ATOM 57 CG HIS A -4 15.765 -14.260 -6.509 1.00 51.40 C ATOM 58 ND1 HIS A -4 17.121 -14.304 -6.223 1.00 43.21 N ATOM 59 CD2 HIS A -4 15.317 -13.085 -5.942 1.00 12.12 C ATOM 60 CE1 HIS A -4 17.426 -13.198 -5.543 1.00 24.10 C ATOM 61 NE2 HIS A -4 16.377 -12.412 -5.332 1.00 54.41 N ATOM 0 H HIS A -4 16.424 -15.492 -9.590 1.00 23.42 H new ATOM 0 HA HIS A -4 16.348 -16.989 -7.019 1.00 64.23 H new ATOM 0 HB2 HIS A -4 14.518 -14.833 -8.127 1.00 61.11 H new ATOM 0 HB3 HIS A -4 14.244 -15.732 -6.648 1.00 61.11 H new ATOM 0 HD2 HIS A -4 14.295 -12.737 -5.966 1.00 12.12 H new ATOM 0 HE1 HIS A -4 18.423 -12.966 -5.199 1.00 24.10 H new ATOM 0 HE2 HIS A -4 16.351 -11.520 -4.837 1.00 54.41 H new ATOM 69 N HIS A -3 14.828 -18.718 -7.999 1.00 61.24 N ATOM 70 CA HIS A -3 13.987 -19.805 -8.505 1.00 12.33 C ATOM 71 C HIS A -3 13.109 -20.364 -7.376 1.00 34.40 C ATOM 72 O HIS A -3 13.552 -20.442 -6.229 1.00 33.02 O ATOM 73 CB HIS A -3 14.864 -20.933 -9.100 1.00 62.21 C ATOM 74 CG HIS A -3 15.710 -20.595 -10.307 1.00 50.41 C ATOM 75 ND1 HIS A -3 15.399 -19.595 -11.214 1.00 74.24 N ATOM 76 CD2 HIS A -3 16.887 -21.144 -10.765 1.00 21.12 C ATOM 77 CE1 HIS A -3 16.360 -19.582 -12.141 1.00 64.04 C ATOM 78 NE2 HIS A -3 17.293 -20.501 -11.938 1.00 43.44 N ATOM 0 H HIS A -3 15.338 -18.970 -7.152 1.00 61.24 H new ATOM 0 HA HIS A -3 13.344 -19.409 -9.291 1.00 12.33 H new ATOM 0 HB2 HIS A -3 15.528 -21.293 -8.314 1.00 62.21 H new ATOM 0 HB3 HIS A -3 14.209 -21.762 -9.369 1.00 62.21 H new ATOM 0 HD2 HIS A -3 17.419 -21.954 -10.287 1.00 21.12 H new ATOM 0 HE1 HIS A -3 16.375 -18.892 -12.972 1.00 64.04 H new ATOM 0 HE2 HIS A -3 18.117 -20.695 -12.507 1.00 43.44 H new ATOM 86 N HIS A -2 11.894 -20.785 -7.755 1.00 42.02 N ATOM 87 CA HIS A -2 10.916 -21.480 -6.913 1.00 4.43 C ATOM 88 C HIS A -2 9.906 -22.259 -7.769 1.00 54.24 C ATOM 89 O HIS A -2 9.419 -23.292 -7.310 1.00 62.12 O ATOM 90 CB HIS A -2 10.159 -20.501 -5.975 1.00 61.50 C ATOM 91 CG HIS A -2 10.728 -20.293 -4.591 1.00 43.25 C ATOM 92 ND1 HIS A -2 11.293 -21.307 -3.836 1.00 14.32 N ATOM 93 CD2 HIS A -2 10.797 -19.166 -3.801 1.00 60.40 C ATOM 94 CE1 HIS A -2 11.662 -20.773 -2.668 1.00 50.44 C ATOM 95 NE2 HIS A -2 11.387 -19.479 -2.574 1.00 24.23 N ATOM 0 H HIS A -2 11.552 -20.642 -8.705 1.00 42.02 H new ATOM 0 HA HIS A -2 11.476 -22.181 -6.294 1.00 4.43 H new ATOM 0 HB2 HIS A -2 10.109 -19.531 -6.469 1.00 61.50 H new ATOM 0 HB3 HIS A -2 9.135 -20.858 -5.869 1.00 61.50 H new ATOM 0 HD2 HIS A -2 10.447 -18.186 -4.088 1.00 60.40 H new ATOM 0 HE1 HIS A -2 12.137 -21.338 -1.880 1.00 50.44 H new ATOM 0 HE2 HIS A -2 11.565 -18.856 -1.787 1.00 24.23 H new ATOM 103 N VAL A -1 9.595 -21.737 -8.971 1.00 15.23 N ATOM 104 CA VAL A -1 8.540 -22.194 -9.887 1.00 20.31 C ATOM 105 C VAL A -1 7.154 -22.064 -9.204 1.00 21.12 C ATOM 106 O VAL A -1 6.402 -23.028 -9.077 1.00 31.13 O ATOM 107 CB VAL A -1 8.785 -23.627 -10.464 1.00 12.52 C ATOM 108 CG1 VAL A -1 7.810 -24.009 -11.603 1.00 3.12 C ATOM 109 CG2 VAL A -1 10.225 -23.792 -10.993 1.00 64.25 C ATOM 0 H VAL A -1 10.105 -20.938 -9.348 1.00 15.23 H new ATOM 0 HA VAL A -1 8.564 -21.540 -10.759 1.00 20.31 H new ATOM 0 HB VAL A -1 8.611 -24.295 -9.620 1.00 12.52 H new ATOM 0 HG11 VAL A -1 8.038 -25.015 -11.955 1.00 3.12 H new ATOM 0 HG12 VAL A -1 6.786 -23.978 -11.231 1.00 3.12 H new ATOM 0 HG13 VAL A -1 7.918 -23.303 -12.427 1.00 3.12 H new ATOM 0 HG21 VAL A -1 10.355 -24.801 -11.385 1.00 64.25 H new ATOM 0 HG22 VAL A -1 10.406 -23.068 -11.787 1.00 64.25 H new ATOM 0 HG23 VAL A -1 10.932 -23.624 -10.181 1.00 64.25 H new ATOM 119 N ALA A 0 6.889 -20.845 -8.706 1.00 75.33 N ATOM 120 CA ALA A 0 5.717 -20.483 -7.917 1.00 13.51 C ATOM 121 C ALA A 0 5.637 -18.958 -7.788 1.00 44.21 C ATOM 122 O ALA A 0 6.674 -18.287 -7.781 1.00 65.44 O ATOM 123 CB ALA A 0 5.795 -21.127 -6.517 1.00 22.50 C ATOM 0 H ALA A 0 7.518 -20.056 -8.853 1.00 75.33 H new ATOM 0 HA ALA A 0 4.822 -20.851 -8.420 1.00 13.51 H new ATOM 0 HB1 ALA A 0 4.914 -20.848 -5.939 1.00 22.50 H new ATOM 0 HB2 ALA A 0 5.835 -22.212 -6.617 1.00 22.50 H new ATOM 0 HB3 ALA A 0 6.691 -20.776 -6.005 1.00 22.50 H new ATOM 129 N MET A 1 4.405 -18.445 -7.646 1.00 24.02 N ATOM 130 CA MET A 1 4.135 -17.042 -7.332 1.00 5.22 C ATOM 131 C MET A 1 4.422 -16.738 -5.854 1.00 65.13 C ATOM 132 O MET A 1 4.046 -17.520 -4.980 1.00 4.04 O ATOM 133 CB MET A 1 2.673 -16.692 -7.699 1.00 54.13 C ATOM 134 CG MET A 1 2.543 -16.113 -9.112 1.00 75.42 C ATOM 135 SD MET A 1 3.252 -14.447 -9.264 1.00 35.22 S ATOM 136 CE MET A 1 3.575 -14.391 -11.042 1.00 62.22 C ATOM 0 H MET A 1 3.559 -19.005 -7.749 1.00 24.02 H new ATOM 0 HA MET A 1 4.803 -16.419 -7.927 1.00 5.22 H new ATOM 0 HB2 MET A 1 2.058 -17.588 -7.619 1.00 54.13 H new ATOM 0 HB3 MET A 1 2.283 -15.973 -6.978 1.00 54.13 H new ATOM 0 HG2 MET A 1 3.039 -16.779 -9.819 1.00 75.42 H new ATOM 0 HG3 MET A 1 1.490 -16.080 -9.390 1.00 75.42 H new ATOM 0 HE1 MET A 1 4.014 -13.428 -11.302 1.00 62.22 H new ATOM 0 HE2 MET A 1 4.266 -15.189 -11.312 1.00 62.22 H new ATOM 0 HE3 MET A 1 2.640 -14.522 -11.586 1.00 62.22 H new ATOM 146 N SER A 2 5.048 -15.576 -5.624 1.00 51.31 N ATOM 147 CA SER A 2 5.330 -15.012 -4.309 1.00 70.03 C ATOM 148 C SER A 2 5.690 -13.527 -4.476 1.00 64.11 C ATOM 149 O SER A 2 6.367 -13.170 -5.440 1.00 21.45 O ATOM 150 CB SER A 2 6.446 -15.810 -3.592 1.00 61.24 C ATOM 151 OG SER A 2 6.723 -15.287 -2.306 1.00 64.31 O ATOM 0 H SER A 2 5.383 -14.984 -6.384 1.00 51.31 H new ATOM 0 HA SER A 2 4.447 -15.086 -3.675 1.00 70.03 H new ATOM 0 HB2 SER A 2 6.146 -16.854 -3.503 1.00 61.24 H new ATOM 0 HB3 SER A 2 7.353 -15.789 -4.196 1.00 61.24 H new ATOM 0 HG SER A 2 5.886 -15.012 -1.877 1.00 64.31 H new ATOM 157 N PHE A 3 5.243 -12.703 -3.517 1.00 51.23 N ATOM 158 CA PHE A 3 5.424 -11.246 -3.489 1.00 34.33 C ATOM 159 C PHE A 3 6.836 -10.759 -3.099 1.00 42.54 C ATOM 160 O PHE A 3 7.062 -9.549 -3.109 1.00 61.34 O ATOM 161 CB PHE A 3 4.337 -10.623 -2.590 1.00 42.50 C ATOM 162 CG PHE A 3 2.936 -10.656 -3.171 1.00 12.51 C ATOM 163 CD1 PHE A 3 2.167 -11.835 -3.101 1.00 54.13 C ATOM 164 CD2 PHE A 3 2.450 -9.563 -3.921 1.00 61.21 C ATOM 165 CE1 PHE A 3 0.922 -11.885 -3.704 1.00 50.13 C ATOM 166 CE2 PHE A 3 1.190 -9.626 -4.502 1.00 20.11 C ATOM 167 CZ PHE A 3 0.425 -10.778 -4.378 1.00 13.10 C ATOM 0 H PHE A 3 4.725 -13.048 -2.709 1.00 51.23 H new ATOM 0 HA PHE A 3 5.315 -10.902 -4.518 1.00 34.33 H new ATOM 0 HB2 PHE A 3 4.331 -11.147 -1.634 1.00 42.50 H new ATOM 0 HB3 PHE A 3 4.606 -9.587 -2.384 1.00 42.50 H new ATOM 0 HD1 PHE A 3 2.549 -12.699 -2.577 1.00 54.13 H new ATOM 0 HD2 PHE A 3 3.058 -8.678 -4.043 1.00 61.21 H new ATOM 0 HE1 PHE A 3 0.335 -12.790 -3.650 1.00 50.13 H new ATOM 0 HE2 PHE A 3 0.805 -8.779 -5.050 1.00 20.11 H new ATOM 0 HZ PHE A 3 -0.565 -10.813 -4.809 1.00 13.10 H new ATOM 177 N SER A 4 7.749 -11.688 -2.768 1.00 10.11 N ATOM 178 CA SER A 4 9.122 -11.426 -2.330 1.00 51.31 C ATOM 179 C SER A 4 9.963 -10.641 -3.359 1.00 52.21 C ATOM 180 O SER A 4 10.057 -11.068 -4.511 1.00 3.23 O ATOM 181 CB SER A 4 9.794 -12.773 -1.996 1.00 73.10 C ATOM 182 OG SER A 4 9.256 -13.312 -0.803 1.00 35.45 O ATOM 0 H SER A 4 7.536 -12.685 -2.801 1.00 10.11 H new ATOM 0 HA SER A 4 9.071 -10.786 -1.449 1.00 51.31 H new ATOM 0 HB2 SER A 4 9.646 -13.474 -2.818 1.00 73.10 H new ATOM 0 HB3 SER A 4 10.869 -12.633 -1.886 1.00 73.10 H new ATOM 0 HG SER A 4 9.691 -14.168 -0.605 1.00 35.45 H new ATOM 188 N GLY A 5 10.578 -9.531 -2.915 1.00 0.50 N ATOM 189 CA GLY A 5 11.461 -8.704 -3.740 1.00 50.05 C ATOM 190 C GLY A 5 11.548 -7.274 -3.186 1.00 70.14 C ATOM 191 O GLY A 5 10.833 -6.903 -2.254 1.00 2.24 O ATOM 0 H GLY A 5 10.471 -9.183 -1.962 1.00 0.50 H new ATOM 0 HA2 GLY A 5 12.456 -9.147 -3.772 1.00 50.05 H new ATOM 0 HA3 GLY A 5 11.090 -8.679 -4.765 1.00 50.05 H new ATOM 195 N LYS A 6 12.423 -6.464 -3.806 1.00 53.11 N ATOM 196 CA LYS A 6 12.596 -5.030 -3.551 1.00 33.32 C ATOM 197 C LYS A 6 12.439 -4.285 -4.887 1.00 2.31 C ATOM 198 O LYS A 6 12.959 -4.756 -5.899 1.00 51.24 O ATOM 199 CB LYS A 6 13.986 -4.779 -2.929 1.00 34.34 C ATOM 200 CG LYS A 6 14.190 -3.342 -2.401 1.00 41.11 C ATOM 201 CD LYS A 6 15.631 -2.826 -2.532 1.00 73.43 C ATOM 202 CE LYS A 6 16.686 -3.571 -1.703 1.00 73.45 C ATOM 203 NZ LYS A 6 16.479 -3.416 -0.253 1.00 41.11 N1+ ATOM 0 H LYS A 6 13.054 -6.809 -4.529 1.00 53.11 H new ATOM 0 HA LYS A 6 11.847 -4.666 -2.847 1.00 33.32 H new ATOM 0 HB2 LYS A 6 14.137 -5.481 -2.109 1.00 34.34 H new ATOM 0 HB3 LYS A 6 14.750 -4.992 -3.676 1.00 34.34 H new ATOM 0 HG2 LYS A 6 13.524 -2.670 -2.941 1.00 41.11 H new ATOM 0 HG3 LYS A 6 13.896 -3.306 -1.352 1.00 41.11 H new ATOM 0 HD2 LYS A 6 15.920 -2.875 -3.582 1.00 73.43 H new ATOM 0 HD3 LYS A 6 15.648 -1.774 -2.246 1.00 73.43 H new ATOM 0 HE2 LYS A 6 16.662 -4.630 -1.959 1.00 73.45 H new ATOM 0 HE3 LYS A 6 17.677 -3.202 -1.966 1.00 73.45 H new ATOM 0 HZ1 LYS A 6 17.399 -3.429 0.232 1.00 41.11 H new ATOM 0 HZ2 LYS A 6 16.002 -2.511 -0.065 1.00 41.11 H new ATOM 0 HZ3 LYS A 6 15.890 -4.198 0.099 1.00 41.11 H new ATOM 217 N TYR A 7 11.712 -3.156 -4.866 1.00 32.11 N ATOM 218 CA TYR A 7 11.203 -2.454 -6.044 1.00 30.14 C ATOM 219 C TYR A 7 11.390 -0.939 -5.890 1.00 32.15 C ATOM 220 O TYR A 7 10.918 -0.383 -4.904 1.00 20.05 O ATOM 221 CB TYR A 7 9.691 -2.769 -6.226 1.00 54.11 C ATOM 222 CG TYR A 7 9.272 -4.223 -6.062 1.00 71.04 C ATOM 223 CD1 TYR A 7 8.972 -4.735 -4.780 1.00 22.53 C ATOM 224 CD2 TYR A 7 9.165 -5.068 -7.183 1.00 32.01 C ATOM 225 CE1 TYR A 7 8.603 -6.085 -4.623 1.00 51.11 C ATOM 226 CE2 TYR A 7 8.795 -6.417 -7.028 1.00 13.51 C ATOM 227 CZ TYR A 7 8.521 -6.930 -5.748 1.00 23.13 C ATOM 228 OH TYR A 7 8.168 -8.238 -5.599 1.00 1.12 O ATOM 0 H TYR A 7 11.456 -2.694 -3.993 1.00 32.11 H new ATOM 0 HA TYR A 7 11.760 -2.792 -6.918 1.00 30.14 H new ATOM 0 HB2 TYR A 7 9.130 -2.170 -5.509 1.00 54.11 H new ATOM 0 HB3 TYR A 7 9.392 -2.439 -7.221 1.00 54.11 H new ATOM 0 HD1 TYR A 7 9.026 -4.088 -3.917 1.00 22.53 H new ATOM 0 HD2 TYR A 7 9.368 -4.678 -8.169 1.00 32.01 H new ATOM 0 HE1 TYR A 7 8.383 -6.473 -3.640 1.00 51.11 H new ATOM 0 HE2 TYR A 7 8.721 -7.059 -7.893 1.00 13.51 H new ATOM 0 HH TYR A 7 7.854 -8.390 -4.683 1.00 1.12 H new ATOM 238 N GLN A 8 12.006 -0.278 -6.883 1.00 12.25 N ATOM 239 CA GLN A 8 12.046 1.186 -6.986 1.00 23.23 C ATOM 240 C GLN A 8 10.730 1.709 -7.595 1.00 74.20 C ATOM 241 O GLN A 8 10.119 1.005 -8.397 1.00 23.14 O ATOM 242 CB GLN A 8 13.281 1.599 -7.824 1.00 44.44 C ATOM 243 CG GLN A 8 13.221 1.292 -9.342 1.00 54.44 C ATOM 244 CD GLN A 8 14.418 0.495 -9.858 1.00 43.43 C ATOM 245 OE1 GLN A 8 15.556 0.947 -9.775 1.00 25.13 O ATOM 246 NE2 GLN A 8 14.165 -0.697 -10.404 1.00 32.20 N ATOM 0 H GLN A 8 12.494 -0.751 -7.643 1.00 12.25 H new ATOM 0 HA GLN A 8 12.141 1.633 -5.996 1.00 23.23 H new ATOM 0 HB2 GLN A 8 13.435 2.671 -7.699 1.00 44.44 H new ATOM 0 HB3 GLN A 8 14.157 1.100 -7.409 1.00 44.44 H new ATOM 0 HG2 GLN A 8 12.308 0.737 -9.555 1.00 54.44 H new ATOM 0 HG3 GLN A 8 13.158 2.232 -9.891 1.00 54.44 H new ATOM 0 HE21 GLN A 8 13.206 -1.041 -10.456 1.00 32.20 H new ATOM 0 HE22 GLN A 8 14.931 -1.264 -10.769 1.00 32.20 H new ATOM 255 N LEU A 9 10.336 2.948 -7.256 1.00 12.01 N ATOM 256 CA LEU A 9 9.248 3.662 -7.940 1.00 44.41 C ATOM 257 C LEU A 9 9.682 4.068 -9.361 1.00 23.42 C ATOM 258 O LEU A 9 10.861 4.356 -9.578 1.00 10.44 O ATOM 259 CB LEU A 9 8.798 4.891 -7.106 1.00 53.02 C ATOM 260 CG LEU A 9 7.314 4.878 -6.682 1.00 23.31 C ATOM 261 CD1 LEU A 9 7.002 6.046 -5.722 1.00 2.25 C ATOM 262 CD2 LEU A 9 6.346 4.857 -7.879 1.00 32.31 C ATOM 0 H LEU A 9 10.764 3.482 -6.499 1.00 12.01 H new ATOM 0 HA LEU A 9 8.391 2.995 -8.034 1.00 44.41 H new ATOM 0 HB2 LEU A 9 9.417 4.951 -6.210 1.00 53.02 H new ATOM 0 HB3 LEU A 9 8.988 5.795 -7.685 1.00 53.02 H new ATOM 0 HG LEU A 9 7.151 3.943 -6.146 1.00 23.31 H new ATOM 0 HD11 LEU A 9 5.950 6.013 -5.439 1.00 2.25 H new ATOM 0 HD12 LEU A 9 7.621 5.958 -4.829 1.00 2.25 H new ATOM 0 HD13 LEU A 9 7.215 6.992 -6.219 1.00 2.25 H new ATOM 0 HD21 LEU A 9 5.318 4.849 -7.516 1.00 32.31 H new ATOM 0 HD22 LEU A 9 6.507 5.743 -8.493 1.00 32.31 H new ATOM 0 HD23 LEU A 9 6.527 3.964 -8.477 1.00 32.31 H new ATOM 274 N GLN A 10 8.720 4.078 -10.294 1.00 4.02 N ATOM 275 CA GLN A 10 8.928 4.451 -11.692 1.00 40.12 C ATOM 276 C GLN A 10 8.037 5.649 -12.048 1.00 25.41 C ATOM 277 O GLN A 10 8.568 6.696 -12.420 1.00 51.02 O ATOM 278 CB GLN A 10 8.657 3.242 -12.622 1.00 23.21 C ATOM 279 CG GLN A 10 9.559 2.014 -12.384 1.00 11.14 C ATOM 280 CD GLN A 10 10.983 2.206 -12.910 1.00 73.23 C ATOM 281 OE1 GLN A 10 11.285 1.826 -14.038 1.00 22.21 O ATOM 282 NE2 GLN A 10 11.863 2.792 -12.098 1.00 4.53 N ATOM 0 H GLN A 10 7.755 3.820 -10.089 1.00 4.02 H new ATOM 0 HA GLN A 10 9.967 4.746 -11.836 1.00 40.12 H new ATOM 0 HB2 GLN A 10 7.617 2.938 -12.502 1.00 23.21 H new ATOM 0 HB3 GLN A 10 8.777 3.566 -13.656 1.00 23.21 H new ATOM 0 HG2 GLN A 10 9.598 1.801 -11.316 1.00 11.14 H new ATOM 0 HG3 GLN A 10 9.114 1.144 -12.867 1.00 11.14 H new ATOM 0 HE21 GLN A 10 11.575 3.095 -11.167 1.00 4.53 H new ATOM 0 HE22 GLN A 10 12.824 2.938 -12.407 1.00 4.53 H new ATOM 291 N SER A 11 6.711 5.472 -11.927 1.00 2.22 N ATOM 292 CA SER A 11 5.699 6.438 -12.357 1.00 31.44 C ATOM 293 C SER A 11 4.513 6.461 -11.384 1.00 60.01 C ATOM 294 O SER A 11 4.295 5.488 -10.663 1.00 44.20 O ATOM 295 CB SER A 11 5.231 6.072 -13.782 1.00 33.23 C ATOM 296 OG SER A 11 6.178 6.500 -14.742 1.00 42.42 O ATOM 0 H SER A 11 6.308 4.630 -11.516 1.00 2.22 H new ATOM 0 HA SER A 11 6.135 7.437 -12.363 1.00 31.44 H new ATOM 0 HB2 SER A 11 5.089 4.994 -13.858 1.00 33.23 H new ATOM 0 HB3 SER A 11 4.265 6.536 -13.984 1.00 33.23 H new ATOM 0 HG SER A 11 5.866 6.258 -15.639 1.00 42.42 H new ATOM 302 N GLN A 12 3.775 7.584 -11.383 1.00 33.41 N ATOM 303 CA GLN A 12 2.584 7.813 -10.562 1.00 74.33 C ATOM 304 C GLN A 12 1.552 8.621 -11.373 1.00 1.03 C ATOM 305 O GLN A 12 1.952 9.469 -12.173 1.00 32.25 O ATOM 306 CB GLN A 12 2.944 8.614 -9.281 1.00 61.21 C ATOM 307 CG GLN A 12 3.986 7.995 -8.324 1.00 23.43 C ATOM 308 CD GLN A 12 5.381 8.625 -8.449 1.00 73.02 C ATOM 309 OE1 GLN A 12 6.110 8.367 -9.404 1.00 23.32 O ATOM 310 NE2 GLN A 12 5.770 9.450 -7.475 1.00 11.21 N ATOM 0 H GLN A 12 4.003 8.382 -11.976 1.00 33.41 H new ATOM 0 HA GLN A 12 2.173 6.845 -10.275 1.00 74.33 H new ATOM 0 HB2 GLN A 12 3.309 9.594 -9.588 1.00 61.21 H new ATOM 0 HB3 GLN A 12 2.025 8.779 -8.718 1.00 61.21 H new ATOM 0 HG2 GLN A 12 3.636 8.106 -7.298 1.00 23.43 H new ATOM 0 HG3 GLN A 12 4.060 6.926 -8.522 1.00 23.43 H new ATOM 0 HE21 GLN A 12 5.145 9.647 -6.693 1.00 11.21 H new ATOM 0 HE22 GLN A 12 6.692 9.884 -7.512 1.00 11.21 H new ATOM 319 N GLU A 13 0.255 8.408 -11.087 1.00 43.44 N ATOM 320 CA GLU A 13 -0.840 9.288 -11.523 1.00 42.23 C ATOM 321 C GLU A 13 -1.664 9.720 -10.301 1.00 20.52 C ATOM 322 O GLU A 13 -1.757 8.967 -9.332 1.00 74.05 O ATOM 323 CB GLU A 13 -1.773 8.626 -12.561 1.00 15.01 C ATOM 324 CG GLU A 13 -1.106 8.087 -13.842 1.00 12.24 C ATOM 325 CD GLU A 13 -0.776 6.595 -13.761 1.00 45.31 C ATOM 326 OE1 GLU A 13 -1.745 5.801 -13.783 1.00 24.51 O ATOM 327 OE2 GLU A 13 0.428 6.275 -13.683 1.00 1.35 O1- ATOM 0 H GLU A 13 -0.064 7.609 -10.539 1.00 43.44 H new ATOM 0 HA GLU A 13 -0.382 10.150 -12.009 1.00 42.23 H new ATOM 0 HB2 GLU A 13 -2.293 7.801 -12.074 1.00 15.01 H new ATOM 0 HB3 GLU A 13 -2.531 9.354 -12.851 1.00 15.01 H new ATOM 0 HG2 GLU A 13 -1.767 8.262 -14.691 1.00 12.24 H new ATOM 0 HG3 GLU A 13 -0.190 8.647 -14.031 1.00 12.24 H new ATOM 334 N ASN A 14 -2.232 10.940 -10.378 1.00 43.13 N ATOM 335 CA ASN A 14 -2.951 11.650 -9.303 1.00 52.34 C ATOM 336 C ASN A 14 -2.109 11.777 -8.017 1.00 34.24 C ATOM 337 O ASN A 14 -2.671 11.761 -6.921 1.00 23.21 O ATOM 338 CB ASN A 14 -4.354 11.023 -9.063 1.00 31.51 C ATOM 339 CG ASN A 14 -5.390 11.395 -10.126 1.00 12.42 C ATOM 340 OD1 ASN A 14 -5.547 12.566 -10.460 1.00 10.54 O ATOM 341 ND2 ASN A 14 -6.133 10.409 -10.631 1.00 73.45 N ATOM 0 H ASN A 14 -2.199 11.486 -11.239 1.00 43.13 H new ATOM 0 HA ASN A 14 -3.119 12.675 -9.635 1.00 52.34 H new ATOM 0 HB2 ASN A 14 -4.255 9.938 -9.030 1.00 31.51 H new ATOM 0 HB3 ASN A 14 -4.720 11.340 -8.086 1.00 31.51 H new ATOM 0 HD21 ASN A 14 -6.859 10.617 -11.317 1.00 73.45 H new ATOM 0 HD22 ASN A 14 -5.976 9.447 -10.331 1.00 73.45 H new ATOM 348 N PHE A 15 -0.776 11.908 -8.177 1.00 24.15 N ATOM 349 CA PHE A 15 0.180 12.041 -7.083 1.00 23.43 C ATOM 350 C PHE A 15 -0.092 13.301 -6.256 1.00 74.11 C ATOM 351 O PHE A 15 -0.487 13.168 -5.101 1.00 1.01 O ATOM 352 CB PHE A 15 1.634 11.940 -7.599 1.00 2.23 C ATOM 353 CG PHE A 15 2.689 12.052 -6.509 1.00 74.31 C ATOM 354 CD1 PHE A 15 3.154 13.320 -6.098 1.00 60.44 C ATOM 355 CD2 PHE A 15 3.041 10.918 -5.746 1.00 63.41 C ATOM 356 CE1 PHE A 15 3.944 13.433 -4.966 1.00 62.11 C ATOM 357 CE2 PHE A 15 3.847 11.052 -4.626 1.00 71.40 C ATOM 358 CZ PHE A 15 4.285 12.307 -4.231 1.00 21.22 C ATOM 0 H PHE A 15 -0.334 11.923 -9.096 1.00 24.15 H new ATOM 0 HA PHE A 15 0.045 11.203 -6.399 1.00 23.43 H new ATOM 0 HB2 PHE A 15 1.760 10.988 -8.115 1.00 2.23 H new ATOM 0 HB3 PHE A 15 1.802 12.726 -8.335 1.00 2.23 H new ATOM 0 HD1 PHE A 15 2.894 14.201 -6.666 1.00 60.44 H new ATOM 0 HD2 PHE A 15 2.681 9.942 -6.036 1.00 63.41 H new ATOM 0 HE1 PHE A 15 4.297 14.405 -4.653 1.00 62.11 H new ATOM 0 HE2 PHE A 15 4.134 10.178 -4.060 1.00 71.40 H new ATOM 0 HZ PHE A 15 4.895 12.408 -3.346 1.00 21.22 H new ATOM 368 N GLU A 16 0.062 14.485 -6.876 1.00 41.43 N ATOM 369 CA GLU A 16 -0.217 15.771 -6.237 1.00 0.21 C ATOM 370 C GLU A 16 -1.685 15.927 -5.815 1.00 40.14 C ATOM 371 O GLU A 16 -1.922 16.438 -4.727 1.00 50.12 O ATOM 372 CB GLU A 16 0.219 16.949 -7.126 1.00 62.30 C ATOM 373 CG GLU A 16 1.734 16.996 -7.417 1.00 34.23 C ATOM 374 CD GLU A 16 2.179 18.291 -8.105 1.00 35.45 C ATOM 375 OE1 GLU A 16 3.403 18.546 -8.090 1.00 2.32 O ATOM 376 OE2 GLU A 16 1.304 19.015 -8.629 1.00 14.32 O1- ATOM 0 H GLU A 16 0.386 14.570 -7.840 1.00 41.43 H new ATOM 0 HA GLU A 16 0.378 15.786 -5.324 1.00 0.21 H new ATOM 0 HB2 GLU A 16 -0.320 16.894 -8.072 1.00 62.30 H new ATOM 0 HB3 GLU A 16 -0.076 17.881 -6.645 1.00 62.30 H new ATOM 0 HG2 GLU A 16 2.280 16.884 -6.481 1.00 34.23 H new ATOM 0 HG3 GLU A 16 2.003 16.148 -8.046 1.00 34.23 H new ATOM 383 N ALA A 17 -2.634 15.445 -6.640 1.00 41.43 N ATOM 384 CA ALA A 17 -4.073 15.464 -6.354 1.00 64.44 C ATOM 385 C ALA A 17 -4.444 14.774 -5.029 1.00 21.15 C ATOM 386 O ALA A 17 -5.171 15.364 -4.231 1.00 52.04 O ATOM 387 CB ALA A 17 -4.840 14.844 -7.530 1.00 51.43 C ATOM 0 H ALA A 17 -2.412 15.024 -7.542 1.00 41.43 H new ATOM 0 HA ALA A 17 -4.363 16.508 -6.233 1.00 64.44 H new ATOM 0 HB1 ALA A 17 -5.909 14.859 -7.316 1.00 51.43 H new ATOM 0 HB2 ALA A 17 -4.643 15.418 -8.436 1.00 51.43 H new ATOM 0 HB3 ALA A 17 -4.513 13.814 -7.675 1.00 51.43 H new ATOM 393 N PHE A 18 -3.883 13.575 -4.800 1.00 53.03 N ATOM 394 CA PHE A 18 -4.034 12.813 -3.564 1.00 1.40 C ATOM 395 C PHE A 18 -3.215 13.384 -2.392 1.00 42.54 C ATOM 396 O PHE A 18 -3.734 13.418 -1.279 1.00 24.03 O ATOM 397 CB PHE A 18 -3.731 11.326 -3.842 1.00 72.24 C ATOM 398 CG PHE A 18 -3.843 10.393 -2.649 1.00 64.31 C ATOM 399 CD1 PHE A 18 -5.111 9.958 -2.203 1.00 12.40 C ATOM 400 CD2 PHE A 18 -2.701 10.084 -1.878 1.00 3.02 C ATOM 401 CE1 PHE A 18 -5.210 9.184 -1.053 1.00 31.44 C ATOM 402 CE2 PHE A 18 -2.825 9.310 -0.732 1.00 22.13 C ATOM 403 CZ PHE A 18 -4.074 8.857 -0.327 1.00 41.52 C ATOM 0 H PHE A 18 -3.299 13.103 -5.491 1.00 53.03 H new ATOM 0 HA PHE A 18 -5.069 12.901 -3.234 1.00 1.40 H new ATOM 0 HB2 PHE A 18 -4.411 10.975 -4.618 1.00 72.24 H new ATOM 0 HB3 PHE A 18 -2.721 11.250 -4.245 1.00 72.24 H new ATOM 0 HD1 PHE A 18 -6.000 10.226 -2.754 1.00 12.40 H new ATOM 0 HD2 PHE A 18 -1.731 10.450 -2.180 1.00 3.02 H new ATOM 0 HE1 PHE A 18 -6.177 8.835 -0.723 1.00 31.44 H new ATOM 0 HE2 PHE A 18 -1.948 9.059 -0.154 1.00 22.13 H new ATOM 0 HZ PHE A 18 -4.161 8.246 0.559 1.00 41.52 H new ATOM 413 N MET A 19 -1.969 13.826 -2.651 1.00 55.30 N ATOM 414 CA MET A 19 -1.051 14.364 -1.640 1.00 10.14 C ATOM 415 C MET A 19 -1.507 15.720 -1.057 1.00 23.02 C ATOM 416 O MET A 19 -1.362 15.919 0.148 1.00 25.41 O ATOM 417 CB MET A 19 0.389 14.434 -2.181 1.00 3.32 C ATOM 418 CG MET A 19 1.027 13.077 -2.529 1.00 44.32 C ATOM 419 SD MET A 19 2.101 12.377 -1.247 1.00 31.24 S ATOM 420 CE MET A 19 1.158 10.897 -0.801 1.00 45.12 C ATOM 0 H MET A 19 -1.569 13.817 -3.589 1.00 55.30 H new ATOM 0 HA MET A 19 -1.069 13.663 -0.805 1.00 10.14 H new ATOM 0 HB2 MET A 19 0.394 15.059 -3.074 1.00 3.32 H new ATOM 0 HB3 MET A 19 1.014 14.932 -1.440 1.00 3.32 H new ATOM 0 HG2 MET A 19 0.231 12.364 -2.743 1.00 44.32 H new ATOM 0 HG3 MET A 19 1.608 13.191 -3.444 1.00 44.32 H new ATOM 0 HE1 MET A 19 1.686 10.351 -0.019 1.00 45.12 H new ATOM 0 HE2 MET A 19 0.173 11.189 -0.437 1.00 45.12 H new ATOM 0 HE3 MET A 19 1.047 10.259 -1.677 1.00 45.12 H new ATOM 430 N LYS A 20 -2.106 16.599 -1.885 1.00 5.12 N ATOM 431 CA LYS A 20 -2.819 17.800 -1.427 1.00 70.21 C ATOM 432 C LYS A 20 -4.074 17.456 -0.600 1.00 45.31 C ATOM 433 O LYS A 20 -4.326 18.129 0.399 1.00 54.35 O ATOM 434 CB LYS A 20 -3.203 18.726 -2.616 1.00 21.54 C ATOM 435 CG LYS A 20 -2.159 19.784 -3.047 1.00 73.32 C ATOM 436 CD LYS A 20 -1.149 19.312 -4.106 1.00 31.42 C ATOM 437 CE LYS A 20 -0.177 20.405 -4.583 1.00 14.14 C ATOM 438 NZ LYS A 20 -0.854 21.444 -5.378 1.00 71.41 N1+ ATOM 0 H LYS A 20 -2.106 16.491 -2.899 1.00 5.12 H new ATOM 0 HA LYS A 20 -2.126 18.335 -0.778 1.00 70.21 H new ATOM 0 HB2 LYS A 20 -3.424 18.097 -3.478 1.00 21.54 H new ATOM 0 HB3 LYS A 20 -4.125 19.246 -2.357 1.00 21.54 H new ATOM 0 HG2 LYS A 20 -2.687 20.656 -3.434 1.00 73.32 H new ATOM 0 HG3 LYS A 20 -1.610 20.110 -2.164 1.00 73.32 H new ATOM 0 HD2 LYS A 20 -0.572 18.482 -3.697 1.00 31.42 H new ATOM 0 HD3 LYS A 20 -1.696 18.927 -4.967 1.00 31.42 H new ATOM 0 HE2 LYS A 20 0.301 20.866 -3.719 1.00 14.14 H new ATOM 0 HE3 LYS A 20 0.613 19.950 -5.180 1.00 14.14 H new ATOM 0 HZ1 LYS A 20 -0.155 22.141 -5.706 1.00 71.41 H new ATOM 0 HZ2 LYS A 20 -1.318 21.006 -6.199 1.00 71.41 H new ATOM 0 HZ3 LYS A 20 -1.568 21.920 -4.791 1.00 71.41 H new ATOM 452 N ALA A 21 -4.832 16.428 -1.026 1.00 70.25 N ATOM 453 CA ALA A 21 -6.103 16.026 -0.420 1.00 31.14 C ATOM 454 C ALA A 21 -5.986 15.373 0.968 1.00 31.42 C ATOM 455 O ALA A 21 -6.875 15.594 1.790 1.00 52.22 O ATOM 456 CB ALA A 21 -6.865 15.114 -1.385 1.00 4.31 C ATOM 0 H ALA A 21 -4.566 15.845 -1.819 1.00 70.25 H new ATOM 0 HA ALA A 21 -6.655 16.949 -0.244 1.00 31.14 H new ATOM 0 HB1 ALA A 21 -7.811 14.815 -0.933 1.00 4.31 H new ATOM 0 HB2 ALA A 21 -7.060 15.649 -2.314 1.00 4.31 H new ATOM 0 HB3 ALA A 21 -6.268 14.227 -1.596 1.00 4.31 H new ATOM 462 N ILE A 22 -4.899 14.622 1.230 1.00 64.42 N ATOM 463 CA ILE A 22 -4.592 14.080 2.562 1.00 53.33 C ATOM 464 C ILE A 22 -4.037 15.139 3.542 1.00 74.23 C ATOM 465 O ILE A 22 -4.023 14.879 4.745 1.00 51.23 O ATOM 466 CB ILE A 22 -3.601 12.880 2.516 1.00 34.13 C ATOM 467 CG1 ILE A 22 -2.215 13.228 1.926 1.00 63.24 C ATOM 468 CG2 ILE A 22 -4.245 11.669 1.816 1.00 10.14 C ATOM 469 CD1 ILE A 22 -1.183 12.097 2.002 1.00 61.52 C ATOM 0 H ILE A 22 -4.209 14.375 0.520 1.00 64.42 H new ATOM 0 HA ILE A 22 -5.557 13.733 2.932 1.00 53.33 H new ATOM 0 HB ILE A 22 -3.398 12.611 3.553 1.00 34.13 H new ATOM 0 HG12 ILE A 22 -2.342 13.516 0.882 1.00 63.24 H new ATOM 0 HG13 ILE A 22 -1.820 14.098 2.451 1.00 63.24 H new ATOM 0 HG21 ILE A 22 -3.536 10.842 1.795 1.00 10.14 H new ATOM 0 HG22 ILE A 22 -5.139 11.367 2.361 1.00 10.14 H new ATOM 0 HG23 ILE A 22 -4.517 11.940 0.796 1.00 10.14 H new ATOM 0 HD11 ILE A 22 -0.243 12.433 1.565 1.00 61.52 H new ATOM 0 HD12 ILE A 22 -1.021 11.822 3.044 1.00 61.52 H new ATOM 0 HD13 ILE A 22 -1.551 11.231 1.451 1.00 61.52 H new ATOM 481 N GLY A 23 -3.626 16.312 3.026 1.00 43.03 N ATOM 482 CA GLY A 23 -3.190 17.448 3.835 1.00 24.22 C ATOM 483 C GLY A 23 -1.681 17.435 4.110 1.00 33.24 C ATOM 484 O GLY A 23 -1.249 18.096 5.052 1.00 54.20 O ATOM 0 H GLY A 23 -3.590 16.492 2.023 1.00 43.03 H new ATOM 0 HA2 GLY A 23 -3.454 18.374 3.325 1.00 24.22 H new ATOM 0 HA3 GLY A 23 -3.728 17.441 4.783 1.00 24.22 H new ATOM 488 N LEU A 24 -0.877 16.717 3.300 1.00 41.30 N ATOM 489 CA LEU A 24 0.590 16.779 3.315 1.00 1.32 C ATOM 490 C LEU A 24 1.047 18.196 2.886 1.00 71.32 C ATOM 491 O LEU A 24 0.483 18.719 1.923 1.00 51.04 O ATOM 492 CB LEU A 24 1.142 15.700 2.340 1.00 61.22 C ATOM 493 CG LEU A 24 2.049 14.640 3.001 1.00 65.05 C ATOM 494 CD1 LEU A 24 1.312 13.798 4.060 1.00 2.04 C ATOM 495 CD2 LEU A 24 2.762 13.761 1.957 1.00 64.15 C ATOM 0 H LEU A 24 -1.242 16.066 2.605 1.00 41.30 H new ATOM 0 HA LEU A 24 0.973 16.583 4.317 1.00 1.32 H new ATOM 0 HB2 LEU A 24 0.301 15.194 1.865 1.00 61.22 H new ATOM 0 HB3 LEU A 24 1.703 16.197 1.549 1.00 61.22 H new ATOM 0 HG LEU A 24 2.821 15.192 3.537 1.00 65.05 H new ATOM 0 HD11 LEU A 24 2.000 13.070 4.490 1.00 2.04 H new ATOM 0 HD12 LEU A 24 0.937 14.451 4.848 1.00 2.04 H new ATOM 0 HD13 LEU A 24 0.477 13.276 3.593 1.00 2.04 H new ATOM 0 HD21 LEU A 24 3.390 13.029 2.465 1.00 64.15 H new ATOM 0 HD22 LEU A 24 2.020 13.243 1.350 1.00 64.15 H new ATOM 0 HD23 LEU A 24 3.382 14.388 1.316 1.00 64.15 H new ATOM 507 N PRO A 25 2.032 18.806 3.592 1.00 51.42 N ATOM 508 CA PRO A 25 2.561 20.136 3.224 1.00 64.41 C ATOM 509 C PRO A 25 3.270 20.124 1.859 1.00 52.34 C ATOM 510 O PRO A 25 3.760 19.072 1.446 1.00 25.31 O ATOM 511 CB PRO A 25 3.534 20.467 4.369 1.00 42.32 C ATOM 512 CG PRO A 25 4.013 19.115 4.863 1.00 45.43 C ATOM 513 CD PRO A 25 2.767 18.246 4.728 1.00 10.24 C ATOM 0 HA PRO A 25 1.772 20.879 3.110 1.00 64.41 H new ATOM 0 HB2 PRO A 25 4.365 21.079 4.019 1.00 42.32 H new ATOM 0 HB3 PRO A 25 3.038 21.026 5.162 1.00 42.32 H new ATOM 0 HG2 PRO A 25 4.839 18.734 4.262 1.00 45.43 H new ATOM 0 HG3 PRO A 25 4.364 19.162 5.894 1.00 45.43 H new ATOM 0 HD2 PRO A 25 3.031 17.203 4.551 1.00 10.24 H new ATOM 0 HD3 PRO A 25 2.167 18.273 5.638 1.00 10.24 H new ATOM 521 N GLU A 26 3.293 21.285 1.180 1.00 15.43 N ATOM 522 CA GLU A 26 3.824 21.434 -0.180 1.00 32.41 C ATOM 523 C GLU A 26 5.291 20.995 -0.362 1.00 20.45 C ATOM 524 O GLU A 26 5.622 20.522 -1.446 1.00 41.02 O ATOM 525 CB GLU A 26 3.521 22.848 -0.719 1.00 40.32 C ATOM 526 CG GLU A 26 3.944 23.068 -2.190 1.00 11.11 C ATOM 527 CD GLU A 26 3.441 24.387 -2.775 1.00 71.15 C ATOM 528 OE1 GLU A 26 3.485 25.403 -2.046 1.00 30.22 O ATOM 529 OE2 GLU A 26 3.020 24.355 -3.951 1.00 51.31 O1- ATOM 0 H GLU A 26 2.937 22.158 1.570 1.00 15.43 H new ATOM 0 HA GLU A 26 3.291 20.716 -0.803 1.00 32.41 H new ATOM 0 HB2 GLU A 26 2.452 23.038 -0.628 1.00 40.32 H new ATOM 0 HB3 GLU A 26 4.030 23.581 -0.093 1.00 40.32 H new ATOM 0 HG2 GLU A 26 5.032 23.041 -2.255 1.00 11.11 H new ATOM 0 HG3 GLU A 26 3.568 22.243 -2.796 1.00 11.11 H new ATOM 536 N GLU A 27 6.114 21.065 0.699 1.00 72.42 N ATOM 537 CA GLU A 27 7.456 20.479 0.715 1.00 12.31 C ATOM 538 C GLU A 27 7.435 18.949 0.530 1.00 42.50 C ATOM 539 O GLU A 27 8.100 18.468 -0.383 1.00 21.24 O ATOM 540 CB GLU A 27 8.230 20.912 1.977 1.00 3.21 C ATOM 541 CG GLU A 27 9.654 20.321 2.065 1.00 35.22 C ATOM 542 CD GLU A 27 10.420 20.850 3.271 1.00 64.24 C ATOM 543 OE1 GLU A 27 11.288 21.723 3.057 1.00 75.20 O ATOM 544 OE2 GLU A 27 10.127 20.366 4.387 1.00 2.32 O1- ATOM 0 H GLU A 27 5.862 21.532 1.570 1.00 72.42 H new ATOM 0 HA GLU A 27 7.994 20.871 -0.148 1.00 12.31 H new ATOM 0 HB2 GLU A 27 8.296 22.000 1.997 1.00 3.21 H new ATOM 0 HB3 GLU A 27 7.666 20.611 2.860 1.00 3.21 H new ATOM 0 HG2 GLU A 27 9.592 19.234 2.123 1.00 35.22 H new ATOM 0 HG3 GLU A 27 10.202 20.561 1.154 1.00 35.22 H new ATOM 551 N LEU A 28 6.649 18.232 1.355 1.00 51.31 N ATOM 552 CA LEU A 28 6.463 16.776 1.276 1.00 65.54 C ATOM 553 C LEU A 28 5.777 16.300 -0.018 1.00 32.34 C ATOM 554 O LEU A 28 5.987 15.149 -0.401 1.00 40.54 O ATOM 555 CB LEU A 28 5.712 16.250 2.523 1.00 15.54 C ATOM 556 CG LEU A 28 6.501 16.339 3.853 1.00 40.12 C ATOM 557 CD1 LEU A 28 5.651 15.852 5.046 1.00 40.45 C ATOM 558 CD2 LEU A 28 7.847 15.593 3.788 1.00 71.15 C ATOM 0 H LEU A 28 6.115 18.661 2.111 1.00 51.31 H new ATOM 0 HA LEU A 28 7.466 16.350 1.252 1.00 65.54 H new ATOM 0 HB2 LEU A 28 4.783 16.810 2.632 1.00 15.54 H new ATOM 0 HB3 LEU A 28 5.438 15.209 2.350 1.00 15.54 H new ATOM 0 HG LEU A 28 6.730 17.393 4.010 1.00 40.12 H new ATOM 0 HD11 LEU A 28 6.235 15.928 5.963 1.00 40.45 H new ATOM 0 HD12 LEU A 28 4.757 16.470 5.132 1.00 40.45 H new ATOM 0 HD13 LEU A 28 5.360 14.814 4.886 1.00 40.45 H new ATOM 0 HD21 LEU A 28 8.361 15.686 4.745 1.00 71.15 H new ATOM 0 HD22 LEU A 28 7.669 14.539 3.572 1.00 71.15 H new ATOM 0 HD23 LEU A 28 8.465 16.025 3.001 1.00 71.15 H new ATOM 570 N ILE A 29 5.017 17.184 -0.690 1.00 13.23 N ATOM 571 CA ILE A 29 4.456 16.938 -2.018 1.00 61.03 C ATOM 572 C ILE A 29 5.559 17.052 -3.092 1.00 61.24 C ATOM 573 O ILE A 29 5.773 16.086 -3.821 1.00 44.33 O ATOM 574 CB ILE A 29 3.288 17.909 -2.373 1.00 42.33 C ATOM 575 CG1 ILE A 29 2.130 17.813 -1.355 1.00 62.41 C ATOM 576 CG2 ILE A 29 2.735 17.701 -3.803 1.00 63.41 C ATOM 577 CD1 ILE A 29 1.191 19.025 -1.341 1.00 23.43 C ATOM 0 H ILE A 29 4.776 18.101 -0.314 1.00 13.23 H new ATOM 0 HA ILE A 29 4.048 15.928 -2.000 1.00 61.03 H new ATOM 0 HB ILE A 29 3.724 18.907 -2.327 1.00 42.33 H new ATOM 0 HG12 ILE A 29 1.545 16.919 -1.573 1.00 62.41 H new ATOM 0 HG13 ILE A 29 2.550 17.684 -0.358 1.00 62.41 H new ATOM 0 HG21 ILE A 29 1.925 18.407 -3.986 1.00 63.41 H new ATOM 0 HG22 ILE A 29 3.531 17.866 -4.529 1.00 63.41 H new ATOM 0 HG23 ILE A 29 2.358 16.683 -3.903 1.00 63.41 H new ATOM 0 HD11 ILE A 29 0.409 18.871 -0.597 1.00 23.43 H new ATOM 0 HD12 ILE A 29 1.758 19.922 -1.091 1.00 23.43 H new ATOM 0 HD13 ILE A 29 0.737 19.145 -2.325 1.00 23.43 H new ATOM 589 N GLN A 30 6.250 18.206 -3.157 1.00 73.04 N ATOM 590 CA GLN A 30 7.273 18.504 -4.166 1.00 71.00 C ATOM 591 C GLN A 30 8.536 17.631 -4.078 1.00 2.13 C ATOM 592 O GLN A 30 9.063 17.259 -5.126 1.00 63.11 O ATOM 593 CB GLN A 30 7.624 20.011 -4.157 1.00 31.43 C ATOM 594 CG GLN A 30 6.497 20.967 -4.614 1.00 43.50 C ATOM 595 CD GLN A 30 5.867 20.590 -5.957 1.00 43.21 C ATOM 596 OE1 GLN A 30 6.521 20.654 -6.996 1.00 42.35 O ATOM 597 NE2 GLN A 30 4.599 20.178 -5.935 1.00 51.30 N ATOM 0 H GLN A 30 6.107 18.969 -2.495 1.00 73.04 H new ATOM 0 HA GLN A 30 6.825 18.244 -5.125 1.00 71.00 H new ATOM 0 HB2 GLN A 30 7.923 20.289 -3.146 1.00 31.43 H new ATOM 0 HB3 GLN A 30 8.490 20.167 -4.800 1.00 31.43 H new ATOM 0 HG2 GLN A 30 5.718 20.985 -3.851 1.00 43.50 H new ATOM 0 HG3 GLN A 30 6.898 21.978 -4.684 1.00 43.50 H new ATOM 0 HE21 GLN A 30 4.091 20.139 -5.052 1.00 51.30 H new ATOM 0 HE22 GLN A 30 4.137 19.902 -6.802 1.00 51.30 H new ATOM 606 N LYS A 31 8.974 17.279 -2.856 1.00 15.24 N ATOM 607 CA LYS A 31 10.086 16.349 -2.646 1.00 32.41 C ATOM 608 C LYS A 31 9.628 14.874 -2.671 1.00 15.54 C ATOM 609 O LYS A 31 10.468 13.983 -2.778 1.00 25.33 O ATOM 610 CB LYS A 31 10.894 16.750 -1.389 1.00 61.25 C ATOM 611 CG LYS A 31 10.400 16.253 -0.017 1.00 25.12 C ATOM 612 CD LYS A 31 10.795 14.806 0.322 1.00 14.14 C ATOM 613 CE LYS A 31 10.913 14.554 1.822 1.00 54.24 C ATOM 614 NZ LYS A 31 12.127 15.163 2.390 1.00 12.45 N1+ ATOM 0 H LYS A 31 8.565 17.633 -1.991 1.00 15.24 H new ATOM 0 HA LYS A 31 10.774 16.427 -3.488 1.00 32.41 H new ATOM 0 HB2 LYS A 31 11.916 16.396 -1.523 1.00 61.25 H new ATOM 0 HB3 LYS A 31 10.936 17.839 -1.353 1.00 61.25 H new ATOM 0 HG2 LYS A 31 10.793 16.913 0.756 1.00 25.12 H new ATOM 0 HG3 LYS A 31 9.314 16.336 0.015 1.00 25.12 H new ATOM 0 HD2 LYS A 31 10.054 14.126 -0.098 1.00 14.14 H new ATOM 0 HD3 LYS A 31 11.747 14.574 -0.155 1.00 14.14 H new ATOM 0 HE2 LYS A 31 10.035 14.957 2.327 1.00 54.24 H new ATOM 0 HE3 LYS A 31 10.924 13.480 2.009 1.00 54.24 H new ATOM 0 HZ1 LYS A 31 11.914 15.548 3.332 1.00 12.45 H new ATOM 0 HZ2 LYS A 31 12.872 14.442 2.471 1.00 12.45 H new ATOM 0 HZ3 LYS A 31 12.454 15.930 1.768 1.00 12.45 H new ATOM 628 N GLY A 32 8.309 14.633 -2.588 1.00 25.23 N ATOM 629 CA GLY A 32 7.718 13.306 -2.740 1.00 2.20 C ATOM 630 C GLY A 32 7.687 12.870 -4.216 1.00 32.41 C ATOM 631 O GLY A 32 7.614 11.670 -4.476 1.00 51.50 O ATOM 0 H GLY A 32 7.622 15.366 -2.412 1.00 25.23 H new ATOM 0 HA2 GLY A 32 8.289 12.583 -2.158 1.00 2.20 H new ATOM 0 HA3 GLY A 32 6.705 13.309 -2.339 1.00 2.20 H new ATOM 635 N LYS A 33 7.752 13.824 -5.166 1.00 23.43 N ATOM 636 CA LYS A 33 7.771 13.569 -6.605 1.00 13.23 C ATOM 637 C LYS A 33 9.163 13.716 -7.245 1.00 61.53 C ATOM 638 O LYS A 33 9.329 13.154 -8.330 1.00 51.30 O ATOM 639 CB LYS A 33 6.743 14.476 -7.326 1.00 51.13 C ATOM 640 CG LYS A 33 6.993 15.986 -7.171 1.00 0.44 C ATOM 641 CD LYS A 33 6.113 16.877 -8.054 1.00 73.42 C ATOM 642 CE LYS A 33 6.585 16.950 -9.513 1.00 35.11 C ATOM 643 NZ LYS A 33 5.815 17.959 -10.259 1.00 72.55 N1+ ATOM 0 H LYS A 33 7.794 14.817 -4.939 1.00 23.43 H new ATOM 0 HA LYS A 33 7.492 12.523 -6.731 1.00 13.23 H new ATOM 0 HB2 LYS A 33 6.744 14.229 -8.388 1.00 51.13 H new ATOM 0 HB3 LYS A 33 5.748 14.246 -6.946 1.00 51.13 H new ATOM 0 HG2 LYS A 33 6.834 16.261 -6.128 1.00 0.44 H new ATOM 0 HG3 LYS A 33 8.039 16.192 -7.399 1.00 0.44 H new ATOM 0 HD2 LYS A 33 5.090 16.502 -8.030 1.00 73.42 H new ATOM 0 HD3 LYS A 33 6.093 17.883 -7.636 1.00 73.42 H new ATOM 0 HE2 LYS A 33 7.646 17.198 -9.545 1.00 35.11 H new ATOM 0 HE3 LYS A 33 6.471 15.975 -9.987 1.00 35.11 H new ATOM 0 HZ1 LYS A 33 5.490 17.552 -11.159 1.00 72.55 H new ATOM 0 HZ2 LYS A 33 4.992 18.254 -9.696 1.00 72.55 H new ATOM 0 HZ3 LYS A 33 6.418 18.785 -10.450 1.00 72.55 H new ATOM 657 N ASP A 34 10.116 14.465 -6.637 1.00 50.54 N ATOM 658 CA ASP A 34 11.416 14.740 -7.281 1.00 73.22 C ATOM 659 C ASP A 34 12.280 13.464 -7.336 1.00 31.32 C ATOM 660 O ASP A 34 12.723 13.080 -8.417 1.00 61.12 O ATOM 661 CB ASP A 34 12.214 15.970 -6.752 1.00 22.05 C ATOM 662 CG ASP A 34 12.874 15.906 -5.365 1.00 5.32 C ATOM 663 OD1 ASP A 34 12.441 15.092 -4.525 1.00 31.22 O ATOM 664 OD2 ASP A 34 13.805 16.714 -5.154 1.00 3.34 O1- ATOM 0 H ASP A 34 10.007 14.883 -5.713 1.00 50.54 H new ATOM 0 HA ASP A 34 11.153 15.047 -8.293 1.00 73.22 H new ATOM 0 HB2 ASP A 34 12.999 16.186 -7.477 1.00 22.05 H new ATOM 0 HB3 ASP A 34 11.536 16.823 -6.752 1.00 22.05 H new ATOM 669 N ILE A 35 12.433 12.814 -6.175 1.00 12.23 N ATOM 670 CA ILE A 35 13.078 11.524 -6.007 1.00 41.32 C ATOM 671 C ILE A 35 11.973 10.461 -5.958 1.00 25.42 C ATOM 672 O ILE A 35 11.091 10.530 -5.098 1.00 2.34 O ATOM 673 CB ILE A 35 13.900 11.462 -4.680 1.00 45.03 C ATOM 674 CG1 ILE A 35 14.994 12.554 -4.604 1.00 53.41 C ATOM 675 CG2 ILE A 35 14.513 10.072 -4.396 1.00 41.45 C ATOM 676 CD1 ILE A 35 15.964 12.597 -5.795 1.00 5.42 C ATOM 0 H ILE A 35 12.092 13.198 -5.294 1.00 12.23 H new ATOM 0 HA ILE A 35 13.768 11.356 -6.834 1.00 41.32 H new ATOM 0 HB ILE A 35 13.167 11.658 -3.897 1.00 45.03 H new ATOM 0 HG12 ILE A 35 14.508 13.526 -4.517 1.00 53.41 H new ATOM 0 HG13 ILE A 35 15.571 12.404 -3.692 1.00 53.41 H new ATOM 0 HG21 ILE A 35 15.069 10.104 -3.459 1.00 41.45 H new ATOM 0 HG22 ILE A 35 13.717 9.332 -4.320 1.00 41.45 H new ATOM 0 HG23 ILE A 35 15.186 9.798 -5.208 1.00 41.45 H new ATOM 0 HD11 ILE A 35 16.690 13.396 -5.644 1.00 5.42 H new ATOM 0 HD12 ILE A 35 16.485 11.643 -5.874 1.00 5.42 H new ATOM 0 HD13 ILE A 35 15.406 12.783 -6.712 1.00 5.42 H new ATOM 688 N LYS A 36 12.064 9.485 -6.873 1.00 22.42 N ATOM 689 CA LYS A 36 11.273 8.257 -6.843 1.00 71.21 C ATOM 690 C LYS A 36 11.707 7.395 -5.648 1.00 4.44 C ATOM 691 O LYS A 36 12.897 7.110 -5.507 1.00 43.34 O ATOM 692 CB LYS A 36 11.433 7.505 -8.185 1.00 63.15 C ATOM 693 CG LYS A 36 10.400 7.879 -9.267 1.00 0.11 C ATOM 694 CD LYS A 36 10.353 9.366 -9.644 1.00 54.43 C ATOM 695 CE LYS A 36 9.355 9.640 -10.776 1.00 3.34 C ATOM 696 NZ LYS A 36 9.225 11.084 -11.033 1.00 51.25 N1+ ATOM 0 H LYS A 36 12.702 9.533 -7.667 1.00 22.42 H new ATOM 0 HA LYS A 36 10.216 8.493 -6.717 1.00 71.21 H new ATOM 0 HB2 LYS A 36 12.432 7.698 -8.576 1.00 63.15 H new ATOM 0 HB3 LYS A 36 11.366 6.434 -7.995 1.00 63.15 H new ATOM 0 HG2 LYS A 36 10.614 7.300 -10.165 1.00 0.11 H new ATOM 0 HG3 LYS A 36 9.411 7.577 -8.921 1.00 0.11 H new ATOM 0 HD2 LYS A 36 10.078 9.954 -8.768 1.00 54.43 H new ATOM 0 HD3 LYS A 36 11.347 9.694 -9.949 1.00 54.43 H new ATOM 0 HE2 LYS A 36 9.683 9.134 -11.684 1.00 3.34 H new ATOM 0 HE3 LYS A 36 8.381 9.225 -10.514 1.00 3.34 H new ATOM 0 HZ1 LYS A 36 8.318 11.272 -11.506 1.00 51.25 H new ATOM 0 HZ2 LYS A 36 9.259 11.601 -10.132 1.00 51.25 H new ATOM 0 HZ3 LYS A 36 10.006 11.400 -11.643 1.00 51.25 H new ATOM 710 N GLY A 37 10.728 7.009 -4.817 1.00 2.05 N ATOM 711 CA GLY A 37 10.928 6.218 -3.602 1.00 32.21 C ATOM 712 C GLY A 37 11.287 4.756 -3.914 1.00 11.23 C ATOM 713 O GLY A 37 11.598 4.388 -5.048 1.00 34.23 O ATOM 0 H GLY A 37 9.749 7.247 -4.979 1.00 2.05 H new ATOM 0 HA2 GLY A 37 11.723 6.666 -3.005 1.00 32.21 H new ATOM 0 HA3 GLY A 37 10.021 6.247 -2.998 1.00 32.21 H new ATOM 717 N VAL A 38 11.255 3.920 -2.870 1.00 23.15 N ATOM 718 CA VAL A 38 11.497 2.481 -2.960 1.00 73.42 C ATOM 719 C VAL A 38 10.466 1.773 -2.061 1.00 44.22 C ATOM 720 O VAL A 38 9.970 2.368 -1.109 1.00 3.40 O ATOM 721 CB VAL A 38 12.948 2.098 -2.512 1.00 61.42 C ATOM 722 CG1 VAL A 38 13.297 0.610 -2.714 1.00 1.10 C ATOM 723 CG2 VAL A 38 14.031 2.954 -3.198 1.00 41.14 C ATOM 0 H VAL A 38 11.056 4.234 -1.920 1.00 23.15 H new ATOM 0 HA VAL A 38 11.395 2.168 -3.999 1.00 73.42 H new ATOM 0 HB VAL A 38 12.945 2.303 -1.442 1.00 61.42 H new ATOM 0 HG11 VAL A 38 14.318 0.427 -2.380 1.00 1.10 H new ATOM 0 HG12 VAL A 38 12.610 -0.007 -2.135 1.00 1.10 H new ATOM 0 HG13 VAL A 38 13.210 0.356 -3.770 1.00 1.10 H new ATOM 0 HG21 VAL A 38 15.016 2.643 -2.849 1.00 41.14 H new ATOM 0 HG22 VAL A 38 13.970 2.820 -4.278 1.00 41.14 H new ATOM 0 HG23 VAL A 38 13.874 4.004 -2.953 1.00 41.14 H new ATOM 733 N SER A 39 10.146 0.519 -2.383 1.00 55.12 N ATOM 734 CA SER A 39 9.310 -0.364 -1.582 1.00 32.20 C ATOM 735 C SER A 39 9.959 -1.750 -1.536 1.00 25.20 C ATOM 736 O SER A 39 10.620 -2.147 -2.493 1.00 12.25 O ATOM 737 CB SER A 39 7.886 -0.421 -2.172 1.00 61.43 C ATOM 738 OG SER A 39 7.128 0.698 -1.752 1.00 30.44 O ATOM 0 H SER A 39 10.476 0.078 -3.241 1.00 55.12 H new ATOM 0 HA SER A 39 9.226 0.015 -0.563 1.00 32.20 H new ATOM 0 HB2 SER A 39 7.938 -0.444 -3.261 1.00 61.43 H new ATOM 0 HB3 SER A 39 7.392 -1.340 -1.857 1.00 61.43 H new ATOM 0 HG SER A 39 7.733 1.418 -1.475 1.00 30.44 H new ATOM 744 N GLU A 40 9.754 -2.467 -0.427 1.00 0.52 N ATOM 745 CA GLU A 40 10.277 -3.810 -0.220 1.00 41.33 C ATOM 746 C GLU A 40 9.195 -4.661 0.443 1.00 33.01 C ATOM 747 O GLU A 40 8.499 -4.186 1.338 1.00 10.34 O ATOM 748 CB GLU A 40 11.599 -3.735 0.563 1.00 3.20 C ATOM 749 CG GLU A 40 12.293 -5.091 0.776 1.00 1.11 C ATOM 750 CD GLU A 40 13.667 -4.917 1.419 1.00 53.23 C ATOM 751 OE1 GLU A 40 14.655 -5.304 0.758 1.00 2.42 O ATOM 752 OE2 GLU A 40 13.715 -4.363 2.537 1.00 22.13 O1- ATOM 0 H GLU A 40 9.210 -2.119 0.363 1.00 0.52 H new ATOM 0 HA GLU A 40 10.522 -4.298 -1.163 1.00 41.33 H new ATOM 0 HB2 GLU A 40 12.282 -3.071 0.034 1.00 3.20 H new ATOM 0 HB3 GLU A 40 11.405 -3.284 1.536 1.00 3.20 H new ATOM 0 HG2 GLU A 40 11.671 -5.725 1.408 1.00 1.11 H new ATOM 0 HG3 GLU A 40 12.399 -5.602 -0.181 1.00 1.11 H new ATOM 759 N ILE A 41 9.041 -5.888 -0.066 1.00 21.23 N ATOM 760 CA ILE A 41 7.948 -6.780 0.284 1.00 11.11 C ATOM 761 C ILE A 41 8.554 -8.164 0.550 1.00 1.33 C ATOM 762 O ILE A 41 9.347 -8.639 -0.264 1.00 2.42 O ATOM 763 CB ILE A 41 6.917 -6.895 -0.878 1.00 14.45 C ATOM 764 CG1 ILE A 41 6.385 -5.517 -1.354 1.00 73.42 C ATOM 765 CG2 ILE A 41 5.743 -7.811 -0.488 1.00 42.00 C ATOM 766 CD1 ILE A 41 5.556 -5.573 -2.647 1.00 72.04 C ATOM 0 H ILE A 41 9.688 -6.289 -0.745 1.00 21.23 H new ATOM 0 HA ILE A 41 7.427 -6.391 1.158 1.00 11.11 H new ATOM 0 HB ILE A 41 7.454 -7.339 -1.716 1.00 14.45 H new ATOM 0 HG12 ILE A 41 5.774 -5.083 -0.563 1.00 73.42 H new ATOM 0 HG13 ILE A 41 7.231 -4.847 -1.507 1.00 73.42 H new ATOM 0 HG21 ILE A 41 5.039 -7.873 -1.318 1.00 42.00 H new ATOM 0 HG22 ILE A 41 6.120 -8.807 -0.257 1.00 42.00 H new ATOM 0 HG23 ILE A 41 5.238 -7.402 0.387 1.00 42.00 H new ATOM 0 HD11 ILE A 41 5.223 -4.569 -2.909 1.00 72.04 H new ATOM 0 HD12 ILE A 41 6.168 -5.975 -3.454 1.00 72.04 H new ATOM 0 HD13 ILE A 41 4.688 -6.215 -2.495 1.00 72.04 H new ATOM 778 N VAL A 42 8.182 -8.775 1.685 1.00 51.41 N ATOM 779 CA VAL A 42 8.679 -10.088 2.093 1.00 23.01 C ATOM 780 C VAL A 42 7.493 -10.913 2.613 1.00 3.20 C ATOM 781 O VAL A 42 7.097 -10.777 3.775 1.00 70.04 O ATOM 782 CB VAL A 42 9.793 -9.997 3.184 1.00 64.41 C ATOM 783 CG1 VAL A 42 10.309 -11.377 3.646 1.00 21.22 C ATOM 784 CG2 VAL A 42 10.983 -9.126 2.737 1.00 14.34 C ATOM 0 H VAL A 42 7.523 -8.365 2.347 1.00 51.41 H new ATOM 0 HA VAL A 42 9.135 -10.567 1.227 1.00 23.01 H new ATOM 0 HB VAL A 42 9.308 -9.519 4.035 1.00 64.41 H new ATOM 0 HG11 VAL A 42 11.081 -11.242 4.404 1.00 21.22 H new ATOM 0 HG12 VAL A 42 9.484 -11.952 4.067 1.00 21.22 H new ATOM 0 HG13 VAL A 42 10.727 -11.913 2.794 1.00 21.22 H new ATOM 0 HG21 VAL A 42 11.730 -9.095 3.531 1.00 14.34 H new ATOM 0 HG22 VAL A 42 11.427 -9.551 1.837 1.00 14.34 H new ATOM 0 HG23 VAL A 42 10.635 -8.115 2.527 1.00 14.34 H new ATOM 794 N GLN A 43 6.953 -11.768 1.730 1.00 45.20 N ATOM 795 CA GLN A 43 5.985 -12.803 2.086 1.00 44.04 C ATOM 796 C GLN A 43 6.705 -13.976 2.773 1.00 71.32 C ATOM 797 O GLN A 43 7.806 -14.345 2.360 1.00 74.35 O ATOM 798 CB GLN A 43 5.241 -13.263 0.814 1.00 3.31 C ATOM 799 CG GLN A 43 4.170 -14.350 1.068 1.00 64.03 C ATOM 800 CD GLN A 43 3.470 -14.839 -0.198 1.00 22.32 C ATOM 801 OE1 GLN A 43 3.856 -14.498 -1.314 1.00 11.34 O ATOM 802 NE2 GLN A 43 2.442 -15.670 -0.025 1.00 42.23 N ATOM 0 H GLN A 43 7.183 -11.755 0.736 1.00 45.20 H new ATOM 0 HA GLN A 43 5.252 -12.405 2.788 1.00 44.04 H new ATOM 0 HB2 GLN A 43 4.764 -12.399 0.352 1.00 3.31 H new ATOM 0 HB3 GLN A 43 5.969 -13.645 0.098 1.00 3.31 H new ATOM 0 HG2 GLN A 43 4.640 -15.200 1.563 1.00 64.03 H new ATOM 0 HG3 GLN A 43 3.422 -13.955 1.755 1.00 64.03 H new ATOM 0 HE21 GLN A 43 2.150 -15.931 0.917 1.00 42.23 H new ATOM 0 HE22 GLN A 43 1.948 -16.045 -0.834 1.00 42.23 H new ATOM 811 N ASN A 44 6.037 -14.568 3.772 1.00 2.11 N ATOM 812 CA ASN A 44 6.469 -15.796 4.434 1.00 73.01 C ATOM 813 C ASN A 44 5.214 -16.597 4.806 1.00 14.21 C ATOM 814 O ASN A 44 4.709 -16.494 5.924 1.00 13.54 O ATOM 815 CB ASN A 44 7.488 -15.516 5.576 1.00 31.31 C ATOM 816 CG ASN A 44 7.027 -14.596 6.713 1.00 43.35 C ATOM 817 OD1 ASN A 44 6.723 -15.070 7.805 1.00 51.43 O ATOM 818 ND2 ASN A 44 6.993 -13.281 6.478 1.00 60.41 N ATOM 0 H ASN A 44 5.164 -14.196 4.147 1.00 2.11 H new ATOM 0 HA ASN A 44 7.053 -16.431 3.768 1.00 73.01 H new ATOM 0 HB2 ASN A 44 7.779 -16.472 6.011 1.00 31.31 H new ATOM 0 HB3 ASN A 44 8.384 -15.082 5.131 1.00 31.31 H new ATOM 0 HD21 ASN A 44 6.708 -12.638 7.217 1.00 60.41 H new ATOM 0 HD22 ASN A 44 7.252 -12.920 5.560 1.00 60.41 H new ATOM 825 N GLY A 45 4.706 -17.351 3.815 1.00 43.22 N ATOM 826 CA GLY A 45 3.473 -18.128 3.911 1.00 0.52 C ATOM 827 C GLY A 45 2.278 -17.173 3.992 1.00 45.51 C ATOM 828 O GLY A 45 2.053 -16.376 3.080 1.00 72.23 O ATOM 0 H GLY A 45 5.159 -17.434 2.905 1.00 43.22 H new ATOM 0 HA2 GLY A 45 3.373 -18.781 3.044 1.00 0.52 H new ATOM 0 HA3 GLY A 45 3.501 -18.769 4.792 1.00 0.52 H new ATOM 832 N LYS A 46 1.521 -17.280 5.096 1.00 30.04 N ATOM 833 CA LYS A 46 0.396 -16.411 5.435 1.00 51.45 C ATOM 834 C LYS A 46 0.806 -15.034 5.996 1.00 0.32 C ATOM 835 O LYS A 46 0.023 -14.095 5.854 1.00 74.42 O ATOM 836 CB LYS A 46 -0.557 -17.180 6.384 1.00 21.31 C ATOM 837 CG LYS A 46 -1.840 -17.674 5.696 1.00 1.33 C ATOM 838 CD LYS A 46 -2.809 -16.521 5.389 1.00 73.32 C ATOM 839 CE LYS A 46 -4.057 -16.924 4.592 1.00 1.34 C ATOM 840 NZ LYS A 46 -4.967 -17.763 5.389 1.00 43.32 N1+ ATOM 0 H LYS A 46 1.686 -18.001 5.798 1.00 30.04 H new ATOM 0 HA LYS A 46 -0.126 -16.165 4.511 1.00 51.45 H new ATOM 0 HB2 LYS A 46 -0.027 -18.035 6.804 1.00 21.31 H new ATOM 0 HB3 LYS A 46 -0.828 -16.532 7.218 1.00 21.31 H new ATOM 0 HG2 LYS A 46 -1.580 -18.186 4.769 1.00 1.33 H new ATOM 0 HG3 LYS A 46 -2.336 -18.404 6.335 1.00 1.33 H new ATOM 0 HD2 LYS A 46 -3.126 -16.071 6.330 1.00 73.32 H new ATOM 0 HD3 LYS A 46 -2.272 -15.752 4.833 1.00 73.32 H new ATOM 0 HE2 LYS A 46 -4.583 -16.028 4.263 1.00 1.34 H new ATOM 0 HE3 LYS A 46 -3.756 -17.465 3.695 1.00 1.34 H new ATOM 0 HZ1 LYS A 46 -5.798 -18.015 4.816 1.00 43.32 H new ATOM 0 HZ2 LYS A 46 -4.473 -18.630 5.682 1.00 43.32 H new ATOM 0 HZ3 LYS A 46 -5.274 -17.238 6.232 1.00 43.32 H new ATOM 854 N HIS A 47 2.008 -14.921 6.591 1.00 24.14 N ATOM 855 CA HIS A 47 2.588 -13.653 7.050 1.00 22.41 C ATOM 856 C HIS A 47 3.123 -12.813 5.874 1.00 14.04 C ATOM 857 O HIS A 47 3.482 -13.361 4.830 1.00 43.50 O ATOM 858 CB HIS A 47 3.697 -13.914 8.098 1.00 50.02 C ATOM 859 CG HIS A 47 3.407 -13.454 9.507 1.00 12.30 C ATOM 860 ND1 HIS A 47 2.929 -12.190 9.810 1.00 34.41 N ATOM 861 CD2 HIS A 47 3.553 -14.088 10.721 1.00 74.35 C ATOM 862 CE1 HIS A 47 2.817 -12.115 11.139 1.00 74.35 C ATOM 863 NE2 HIS A 47 3.179 -13.231 11.757 1.00 65.34 N ATOM 0 H HIS A 47 2.611 -15.725 6.768 1.00 24.14 H new ATOM 0 HA HIS A 47 1.795 -13.075 7.523 1.00 22.41 H new ATOM 0 HB2 HIS A 47 3.900 -14.985 8.122 1.00 50.02 H new ATOM 0 HB3 HIS A 47 4.610 -13.424 7.759 1.00 50.02 H new ATOM 0 HD1 HIS A 47 2.704 -11.453 9.142 1.00 34.41 H new ATOM 0 HD2 HIS A 47 3.905 -15.100 10.852 1.00 74.35 H new ATOM 0 HE1 HIS A 47 2.467 -11.235 11.658 1.00 74.35 H new ATOM 871 N PHE A 48 3.164 -11.490 6.084 1.00 64.22 N ATOM 872 CA PHE A 48 3.503 -10.498 5.072 1.00 21.45 C ATOM 873 C PHE A 48 4.120 -9.282 5.774 1.00 13.42 C ATOM 874 O PHE A 48 3.436 -8.638 6.569 1.00 2.42 O ATOM 875 CB PHE A 48 2.210 -10.132 4.305 1.00 52.14 C ATOM 876 CG PHE A 48 2.371 -9.252 3.077 1.00 13.14 C ATOM 877 CD1 PHE A 48 2.612 -7.866 3.199 1.00 75.01 C ATOM 878 CD2 PHE A 48 2.367 -9.832 1.791 1.00 65.05 C ATOM 879 CE1 PHE A 48 2.743 -7.079 2.065 1.00 13.00 C ATOM 880 CE2 PHE A 48 2.501 -9.029 0.668 1.00 52.34 C ATOM 881 CZ PHE A 48 2.665 -7.656 0.805 1.00 60.00 C ATOM 0 H PHE A 48 2.955 -11.075 6.992 1.00 64.22 H new ATOM 0 HA PHE A 48 4.230 -10.879 4.355 1.00 21.45 H new ATOM 0 HB2 PHE A 48 1.722 -11.058 3.999 1.00 52.14 H new ATOM 0 HB3 PHE A 48 1.534 -9.630 4.997 1.00 52.14 H new ATOM 0 HD1 PHE A 48 2.694 -7.418 4.178 1.00 75.01 H new ATOM 0 HD2 PHE A 48 2.260 -10.901 1.681 1.00 65.05 H new ATOM 0 HE1 PHE A 48 2.906 -6.016 2.162 1.00 13.00 H new ATOM 0 HE2 PHE A 48 2.478 -9.473 -0.316 1.00 52.34 H new ATOM 0 HZ PHE A 48 2.732 -7.034 -0.075 1.00 60.00 H new ATOM 891 N LYS A 49 5.372 -8.963 5.421 1.00 3.35 N ATOM 892 CA LYS A 49 6.043 -7.718 5.793 1.00 52.41 C ATOM 893 C LYS A 49 5.977 -6.745 4.609 1.00 72.32 C ATOM 894 O LYS A 49 6.213 -7.154 3.469 1.00 11.52 O ATOM 895 CB LYS A 49 7.515 -7.996 6.150 1.00 41.21 C ATOM 896 CG LYS A 49 7.718 -8.850 7.410 1.00 22.14 C ATOM 897 CD LYS A 49 9.206 -9.145 7.668 1.00 12.30 C ATOM 898 CE LYS A 49 9.494 -9.859 8.999 1.00 43.24 C ATOM 899 NZ LYS A 49 8.881 -11.197 9.066 1.00 54.54 N1+ ATOM 0 H LYS A 49 5.957 -9.579 4.856 1.00 3.35 H new ATOM 0 HA LYS A 49 5.547 -7.284 6.661 1.00 52.41 H new ATOM 0 HB2 LYS A 49 7.991 -8.497 5.307 1.00 41.21 H new ATOM 0 HB3 LYS A 49 8.028 -7.044 6.286 1.00 41.21 H new ATOM 0 HG2 LYS A 49 7.296 -8.333 8.271 1.00 22.14 H new ATOM 0 HG3 LYS A 49 7.175 -9.789 7.304 1.00 22.14 H new ATOM 0 HD2 LYS A 49 9.589 -9.758 6.852 1.00 12.30 H new ATOM 0 HD3 LYS A 49 9.758 -8.206 7.647 1.00 12.30 H new ATOM 0 HE2 LYS A 49 10.572 -9.950 9.133 1.00 43.24 H new ATOM 0 HE3 LYS A 49 9.120 -9.250 9.822 1.00 43.24 H new ATOM 0 HZ1 LYS A 49 9.290 -11.727 9.862 1.00 54.54 H new ATOM 0 HZ2 LYS A 49 7.855 -11.102 9.204 1.00 54.54 H new ATOM 0 HZ3 LYS A 49 9.065 -11.708 8.179 1.00 54.54 H new ATOM 913 N PHE A 50 5.691 -5.474 4.918 1.00 44.13 N ATOM 914 CA PHE A 50 5.659 -4.361 3.972 1.00 1.25 C ATOM 915 C PHE A 50 6.675 -3.327 4.486 1.00 11.43 C ATOM 916 O PHE A 50 6.761 -3.098 5.691 1.00 12.42 O ATOM 917 CB PHE A 50 4.224 -3.772 3.965 1.00 51.44 C ATOM 918 CG PHE A 50 3.706 -3.153 2.669 1.00 4.32 C ATOM 919 CD1 PHE A 50 4.557 -2.577 1.697 1.00 73.22 C ATOM 920 CD2 PHE A 50 2.311 -3.024 2.498 1.00 72.15 C ATOM 921 CE1 PHE A 50 4.023 -1.956 0.576 1.00 21.11 C ATOM 922 CE2 PHE A 50 1.793 -2.400 1.370 1.00 61.23 C ATOM 923 CZ PHE A 50 2.648 -1.872 0.412 1.00 22.42 C ATOM 0 H PHE A 50 5.468 -5.186 5.871 1.00 44.13 H new ATOM 0 HA PHE A 50 5.911 -4.663 2.956 1.00 1.25 H new ATOM 0 HB2 PHE A 50 3.536 -4.567 4.253 1.00 51.44 H new ATOM 0 HB3 PHE A 50 4.173 -3.009 4.742 1.00 51.44 H new ATOM 0 HD1 PHE A 50 5.628 -2.621 1.828 1.00 73.22 H new ATOM 0 HD2 PHE A 50 1.641 -3.413 3.250 1.00 72.15 H new ATOM 0 HE1 PHE A 50 4.681 -1.537 -0.171 1.00 21.11 H new ATOM 0 HE2 PHE A 50 0.724 -2.326 1.238 1.00 61.23 H new ATOM 0 HZ PHE A 50 2.240 -1.393 -0.466 1.00 22.42 H new ATOM 933 N THR A 51 7.405 -2.710 3.551 1.00 53.25 N ATOM 934 CA THR A 51 8.310 -1.590 3.773 1.00 42.45 C ATOM 935 C THR A 51 8.150 -0.611 2.596 1.00 21.42 C ATOM 936 O THR A 51 8.053 -1.046 1.448 1.00 40.20 O ATOM 937 CB THR A 51 9.786 -2.062 3.841 1.00 72.25 C ATOM 938 OG1 THR A 51 9.960 -2.923 4.949 1.00 1.10 O ATOM 939 CG2 THR A 51 10.840 -0.946 3.956 1.00 30.11 C ATOM 0 H THR A 51 7.375 -2.996 2.572 1.00 53.25 H new ATOM 0 HA THR A 51 8.064 -1.115 4.723 1.00 42.45 H new ATOM 0 HB THR A 51 9.955 -2.556 2.884 1.00 72.25 H new ATOM 0 HG1 THR A 51 10.893 -3.221 4.989 1.00 1.10 H new ATOM 0 HG21 THR A 51 11.835 -1.388 3.996 1.00 30.11 H new ATOM 0 HG22 THR A 51 10.770 -0.289 3.089 1.00 30.11 H new ATOM 0 HG23 THR A 51 10.662 -0.370 4.864 1.00 30.11 H new ATOM 947 N ILE A 52 8.101 0.690 2.911 1.00 41.33 N ATOM 948 CA ILE A 52 7.961 1.790 1.962 1.00 54.14 C ATOM 949 C ILE A 52 8.956 2.879 2.394 1.00 24.44 C ATOM 950 O ILE A 52 8.794 3.466 3.462 1.00 45.15 O ATOM 951 CB ILE A 52 6.527 2.415 1.951 1.00 74.01 C ATOM 952 CG1 ILE A 52 5.401 1.365 1.774 1.00 20.40 C ATOM 953 CG2 ILE A 52 6.403 3.494 0.851 1.00 55.04 C ATOM 954 CD1 ILE A 52 4.907 0.730 3.088 1.00 33.33 C ATOM 0 H ILE A 52 8.161 1.013 3.877 1.00 41.33 H new ATOM 0 HA ILE A 52 8.149 1.406 0.960 1.00 54.14 H new ATOM 0 HB ILE A 52 6.395 2.870 2.933 1.00 74.01 H new ATOM 0 HG12 ILE A 52 4.556 1.838 1.274 1.00 20.40 H new ATOM 0 HG13 ILE A 52 5.759 0.574 1.115 1.00 20.40 H new ATOM 0 HG21 ILE A 52 5.397 3.913 0.864 1.00 55.04 H new ATOM 0 HG22 ILE A 52 7.129 4.286 1.035 1.00 55.04 H new ATOM 0 HG23 ILE A 52 6.596 3.044 -0.123 1.00 55.04 H new ATOM 0 HD11 ILE A 52 4.120 0.008 2.870 1.00 33.33 H new ATOM 0 HD12 ILE A 52 5.737 0.224 3.582 1.00 33.33 H new ATOM 0 HD13 ILE A 52 4.514 1.508 3.743 1.00 33.33 H new ATOM 966 N THR A 53 9.962 3.128 1.549 1.00 22.12 N ATOM 967 CA THR A 53 10.969 4.169 1.721 1.00 13.34 C ATOM 968 C THR A 53 10.566 5.415 0.915 1.00 63.33 C ATOM 969 O THR A 53 10.269 5.310 -0.277 1.00 3.11 O ATOM 970 CB THR A 53 12.345 3.692 1.192 1.00 54.14 C ATOM 971 OG1 THR A 53 12.761 2.558 1.929 1.00 44.35 O ATOM 972 CG2 THR A 53 13.483 4.731 1.234 1.00 4.54 C ATOM 0 H THR A 53 10.098 2.587 0.695 1.00 22.12 H new ATOM 0 HA THR A 53 11.039 4.397 2.785 1.00 13.34 H new ATOM 0 HB THR A 53 12.174 3.478 0.137 1.00 54.14 H new ATOM 0 HG1 THR A 53 13.630 2.252 1.596 1.00 44.35 H new ATOM 0 HG21 THR A 53 14.397 4.286 0.840 1.00 4.54 H new ATOM 0 HG22 THR A 53 13.209 5.595 0.628 1.00 4.54 H new ATOM 0 HG23 THR A 53 13.649 5.048 2.264 1.00 4.54 H new ATOM 980 N ALA A 54 10.610 6.569 1.590 1.00 2.35 N ATOM 981 CA ALA A 54 10.434 7.899 1.013 1.00 30.14 C ATOM 982 C ALA A 54 11.677 8.753 1.312 1.00 24.35 C ATOM 983 O ALA A 54 12.552 8.334 2.073 1.00 5.40 O ATOM 984 CB ALA A 54 9.163 8.523 1.612 1.00 75.44 C ATOM 0 H ALA A 54 10.777 6.599 2.596 1.00 2.35 H new ATOM 0 HA ALA A 54 10.321 7.843 -0.070 1.00 30.14 H new ATOM 0 HB1 ALA A 54 9.014 9.518 1.193 1.00 75.44 H new ATOM 0 HB2 ALA A 54 8.303 7.897 1.374 1.00 75.44 H new ATOM 0 HB3 ALA A 54 9.269 8.597 2.694 1.00 75.44 H new ATOM 990 N GLY A 55 11.724 9.951 0.710 1.00 72.42 N ATOM 991 CA GLY A 55 12.839 10.898 0.807 1.00 34.33 C ATOM 992 C GLY A 55 12.969 11.601 2.175 1.00 33.32 C ATOM 993 O GLY A 55 13.767 12.531 2.278 1.00 61.42 O ATOM 0 H GLY A 55 10.963 10.296 0.125 1.00 72.42 H new ATOM 0 HA2 GLY A 55 13.768 10.368 0.596 1.00 34.33 H new ATOM 0 HA3 GLY A 55 12.722 11.657 0.033 1.00 34.33 H new ATOM 997 N SER A 56 12.186 11.203 3.196 1.00 24.25 N ATOM 998 CA SER A 56 12.205 11.770 4.548 1.00 51.21 C ATOM 999 C SER A 56 12.347 10.684 5.628 1.00 11.32 C ATOM 1000 O SER A 56 13.012 10.928 6.632 1.00 13.10 O ATOM 1001 CB SER A 56 10.923 12.609 4.781 1.00 20.12 C ATOM 1002 OG SER A 56 11.251 13.936 5.139 1.00 2.14 O ATOM 0 H SER A 56 11.502 10.453 3.094 1.00 24.25 H new ATOM 0 HA SER A 56 13.080 12.415 4.629 1.00 51.21 H new ATOM 0 HB2 SER A 56 10.315 12.611 3.876 1.00 20.12 H new ATOM 0 HB3 SER A 56 10.322 12.153 5.568 1.00 20.12 H new ATOM 0 HG SER A 56 10.428 14.450 5.280 1.00 2.14 H new ATOM 1008 N LYS A 57 11.711 9.520 5.413 1.00 73.31 N ATOM 1009 CA LYS A 57 11.639 8.416 6.368 1.00 20.53 C ATOM 1010 C LYS A 57 11.254 7.113 5.652 1.00 63.12 C ATOM 1011 O LYS A 57 10.809 7.145 4.504 1.00 14.45 O ATOM 1012 CB LYS A 57 10.638 8.748 7.509 1.00 73.21 C ATOM 1013 CG LYS A 57 9.171 8.940 7.057 1.00 2.02 C ATOM 1014 CD LYS A 57 8.138 9.014 8.200 1.00 74.54 C ATOM 1015 CE LYS A 57 7.816 7.661 8.865 1.00 51.10 C ATOM 1016 NZ LYS A 57 8.745 7.311 9.951 1.00 41.34 N1+ ATOM 0 H LYS A 57 11.220 9.322 4.541 1.00 73.31 H new ATOM 0 HA LYS A 57 12.623 8.276 6.816 1.00 20.53 H new ATOM 0 HB2 LYS A 57 10.673 7.947 8.247 1.00 73.21 H new ATOM 0 HB3 LYS A 57 10.970 9.657 8.010 1.00 73.21 H new ATOM 0 HG2 LYS A 57 9.105 9.855 6.469 1.00 2.02 H new ATOM 0 HG3 LYS A 57 8.900 8.117 6.396 1.00 2.02 H new ATOM 0 HD2 LYS A 57 8.508 9.699 8.962 1.00 74.54 H new ATOM 0 HD3 LYS A 57 7.214 9.441 7.810 1.00 74.54 H new ATOM 0 HE2 LYS A 57 6.801 7.691 9.260 1.00 51.10 H new ATOM 0 HE3 LYS A 57 7.841 6.877 8.108 1.00 51.10 H new ATOM 0 HZ1 LYS A 57 9.211 6.408 9.732 1.00 41.34 H new ATOM 0 HZ2 LYS A 57 9.463 8.057 10.047 1.00 41.34 H new ATOM 0 HZ3 LYS A 57 8.218 7.221 10.843 1.00 41.34 H new ATOM 1030 N VAL A 58 11.385 5.999 6.386 1.00 22.24 N ATOM 1031 CA VAL A 58 10.888 4.689 5.976 1.00 72.31 C ATOM 1032 C VAL A 58 9.723 4.301 6.909 1.00 12.04 C ATOM 1033 O VAL A 58 9.803 4.522 8.119 1.00 53.43 O ATOM 1034 CB VAL A 58 11.988 3.593 6.072 1.00 15.54 C ATOM 1035 CG1 VAL A 58 11.536 2.258 5.453 1.00 21.52 C ATOM 1036 CG2 VAL A 58 13.304 4.026 5.401 1.00 53.14 C ATOM 0 H VAL A 58 11.848 5.989 7.295 1.00 22.24 H new ATOM 0 HA VAL A 58 10.568 4.753 4.936 1.00 72.31 H new ATOM 0 HB VAL A 58 12.161 3.452 7.139 1.00 15.54 H new ATOM 0 HG11 VAL A 58 12.337 1.525 5.544 1.00 21.52 H new ATOM 0 HG12 VAL A 58 10.651 1.895 5.976 1.00 21.52 H new ATOM 0 HG13 VAL A 58 11.299 2.407 4.400 1.00 21.52 H new ATOM 0 HG21 VAL A 58 14.040 3.228 5.495 1.00 53.14 H new ATOM 0 HG22 VAL A 58 13.124 4.232 4.346 1.00 53.14 H new ATOM 0 HG23 VAL A 58 13.681 4.926 5.887 1.00 53.14 H new ATOM 1046 N ILE A 59 8.669 3.732 6.311 1.00 52.34 N ATOM 1047 CA ILE A 59 7.475 3.214 6.976 1.00 63.31 C ATOM 1048 C ILE A 59 7.451 1.699 6.727 1.00 31.44 C ATOM 1049 O ILE A 59 7.527 1.290 5.572 1.00 30.30 O ATOM 1050 CB ILE A 59 6.176 3.819 6.352 1.00 40.23 C ATOM 1051 CG1 ILE A 59 6.141 5.357 6.485 1.00 32.22 C ATOM 1052 CG2 ILE A 59 4.874 3.216 6.932 1.00 4.45 C ATOM 1053 CD1 ILE A 59 5.089 6.037 5.602 1.00 31.01 C ATOM 0 H ILE A 59 8.627 3.616 5.298 1.00 52.34 H new ATOM 0 HA ILE A 59 7.506 3.469 8.035 1.00 63.31 H new ATOM 0 HB ILE A 59 6.216 3.550 5.297 1.00 40.23 H new ATOM 0 HG12 ILE A 59 5.949 5.617 7.526 1.00 32.22 H new ATOM 0 HG13 ILE A 59 7.124 5.755 6.233 1.00 32.22 H new ATOM 0 HG21 ILE A 59 4.013 3.682 6.454 1.00 4.45 H new ATOM 0 HG22 ILE A 59 4.856 2.142 6.746 1.00 4.45 H new ATOM 0 HG23 ILE A 59 4.835 3.398 8.006 1.00 4.45 H new ATOM 0 HD11 ILE A 59 5.129 7.116 5.754 1.00 31.01 H new ATOM 0 HD12 ILE A 59 5.291 5.810 4.555 1.00 31.01 H new ATOM 0 HD13 ILE A 59 4.098 5.669 5.868 1.00 31.01 H new ATOM 1065 N GLN A 60 7.328 0.898 7.793 1.00 13.05 N ATOM 1066 CA GLN A 60 7.251 -0.559 7.696 1.00 21.24 C ATOM 1067 C GLN A 60 6.323 -1.142 8.765 1.00 24.42 C ATOM 1068 O GLN A 60 6.260 -0.622 9.879 1.00 55.10 O ATOM 1069 CB GLN A 60 8.655 -1.212 7.685 1.00 12.44 C ATOM 1070 CG GLN A 60 9.588 -0.834 8.856 1.00 71.21 C ATOM 1071 CD GLN A 60 10.623 0.220 8.456 1.00 60.43 C ATOM 1072 OE1 GLN A 60 11.528 -0.063 7.675 1.00 22.25 O ATOM 1073 NE2 GLN A 60 10.501 1.434 8.997 1.00 2.35 N ATOM 0 H GLN A 60 7.279 1.247 8.750 1.00 13.05 H new ATOM 0 HA GLN A 60 6.802 -0.805 6.734 1.00 21.24 H new ATOM 0 HB2 GLN A 60 8.530 -2.295 7.681 1.00 12.44 H new ATOM 0 HB3 GLN A 60 9.150 -0.945 6.751 1.00 12.44 H new ATOM 0 HG2 GLN A 60 8.991 -0.457 9.686 1.00 71.21 H new ATOM 0 HG3 GLN A 60 10.101 -1.727 9.212 1.00 71.21 H new ATOM 0 HE21 GLN A 60 9.735 1.630 9.642 1.00 2.35 H new ATOM 0 HE22 GLN A 60 11.173 2.165 8.766 1.00 2.35 H new ATOM 1082 N ASN A 61 5.610 -2.208 8.373 1.00 15.02 N ATOM 1083 CA ASN A 61 4.594 -2.916 9.157 1.00 22.04 C ATOM 1084 C ASN A 61 4.638 -4.407 8.795 1.00 12.24 C ATOM 1085 O ASN A 61 5.138 -4.772 7.728 1.00 1.30 O ATOM 1086 CB ASN A 61 3.194 -2.323 8.846 1.00 74.13 C ATOM 1087 CG ASN A 61 2.960 -0.944 9.470 1.00 14.54 C ATOM 1088 OD1 ASN A 61 2.749 -0.835 10.676 1.00 4.23 O ATOM 1089 ND2 ASN A 61 2.992 0.113 8.656 1.00 71.34 N ATOM 0 H ASN A 61 5.736 -2.620 7.449 1.00 15.02 H new ATOM 0 HA ASN A 61 4.792 -2.799 10.223 1.00 22.04 H new ATOM 0 HB2 ASN A 61 3.072 -2.249 7.765 1.00 74.13 H new ATOM 0 HB3 ASN A 61 2.429 -3.010 9.207 1.00 74.13 H new ATOM 0 HD21 ASN A 61 2.838 1.049 9.030 1.00 71.34 H new ATOM 0 HD22 ASN A 61 3.170 -0.016 7.660 1.00 71.34 H new ATOM 1096 N GLU A 62 4.067 -5.236 9.679 1.00 11.32 N ATOM 1097 CA GLU A 62 3.844 -6.659 9.439 1.00 10.11 C ATOM 1098 C GLU A 62 2.419 -7.041 9.856 1.00 4.42 C ATOM 1099 O GLU A 62 1.895 -6.513 10.838 1.00 11.11 O ATOM 1100 CB GLU A 62 4.937 -7.506 10.129 1.00 64.34 C ATOM 1101 CG GLU A 62 4.755 -9.030 9.944 1.00 12.24 C ATOM 1102 CD GLU A 62 5.947 -9.869 10.401 1.00 52.11 C ATOM 1103 OE1 GLU A 62 6.170 -10.917 9.755 1.00 25.35 O ATOM 1104 OE2 GLU A 62 6.633 -9.454 11.360 1.00 52.24 O1- ATOM 0 H GLU A 62 3.743 -4.926 10.595 1.00 11.32 H new ATOM 0 HA GLU A 62 3.928 -6.873 8.373 1.00 10.11 H new ATOM 0 HB2 GLU A 62 5.911 -7.215 9.736 1.00 64.34 H new ATOM 0 HB3 GLU A 62 4.942 -7.277 11.195 1.00 64.34 H new ATOM 0 HG2 GLU A 62 3.870 -9.347 10.496 1.00 12.24 H new ATOM 0 HG3 GLU A 62 4.564 -9.235 8.891 1.00 12.24 H new ATOM 1111 N PHE A 63 1.838 -7.971 9.087 1.00 45.12 N ATOM 1112 CA PHE A 63 0.499 -8.507 9.284 1.00 45.42 C ATOM 1113 C PHE A 63 0.410 -9.926 8.713 1.00 52.20 C ATOM 1114 O PHE A 63 1.327 -10.380 8.030 1.00 63.22 O ATOM 1115 CB PHE A 63 -0.540 -7.550 8.657 1.00 33.31 C ATOM 1116 CG PHE A 63 -0.520 -7.370 7.147 1.00 72.14 C ATOM 1117 CD1 PHE A 63 0.296 -6.382 6.560 1.00 42.32 C ATOM 1118 CD2 PHE A 63 -1.216 -8.269 6.311 1.00 4.21 C ATOM 1119 CE1 PHE A 63 0.352 -6.262 5.178 1.00 33.11 C ATOM 1120 CE2 PHE A 63 -1.126 -8.150 4.933 1.00 1.52 C ATOM 1121 CZ PHE A 63 -0.354 -7.144 4.370 1.00 51.51 C ATOM 0 H PHE A 63 2.312 -8.381 8.282 1.00 45.12 H new ATOM 0 HA PHE A 63 0.278 -8.578 10.349 1.00 45.42 H new ATOM 0 HB2 PHE A 63 -1.532 -7.902 8.939 1.00 33.31 H new ATOM 0 HB3 PHE A 63 -0.409 -6.569 9.113 1.00 33.31 H new ATOM 0 HD1 PHE A 63 0.877 -5.719 7.184 1.00 42.32 H new ATOM 0 HD2 PHE A 63 -1.820 -9.051 6.746 1.00 4.21 H new ATOM 0 HE1 PHE A 63 0.947 -5.480 4.730 1.00 33.11 H new ATOM 0 HE2 PHE A 63 -1.658 -8.842 4.296 1.00 1.52 H new ATOM 0 HZ PHE A 63 -0.302 -7.046 3.296 1.00 51.51 H new ATOM 1131 N THR A 64 -0.719 -10.585 8.996 1.00 74.12 N ATOM 1132 CA THR A 64 -1.086 -11.880 8.432 1.00 13.51 C ATOM 1133 C THR A 64 -2.309 -11.678 7.520 1.00 22.02 C ATOM 1134 O THR A 64 -3.255 -10.999 7.920 1.00 1.35 O ATOM 1135 CB THR A 64 -1.449 -12.886 9.555 1.00 73.13 C ATOM 1136 OG1 THR A 64 -0.331 -13.039 10.407 1.00 42.04 O ATOM 1137 CG2 THR A 64 -1.854 -14.286 9.069 1.00 4.13 C ATOM 0 H THR A 64 -1.419 -10.219 9.642 1.00 74.12 H new ATOM 0 HA THR A 64 -0.243 -12.281 7.870 1.00 13.51 H new ATOM 0 HB THR A 64 -2.319 -12.462 10.056 1.00 73.13 H new ATOM 0 HG1 THR A 64 0.475 -12.719 9.950 1.00 42.04 H new ATOM 0 HG21 THR A 64 -2.089 -14.915 9.927 1.00 4.13 H new ATOM 0 HG22 THR A 64 -2.730 -14.208 8.426 1.00 4.13 H new ATOM 0 HG23 THR A 64 -1.031 -14.729 8.509 1.00 4.13 H new ATOM 1145 N VAL A 65 -2.257 -12.234 6.299 1.00 11.41 N ATOM 1146 CA VAL A 65 -3.312 -12.102 5.288 1.00 33.33 C ATOM 1147 C VAL A 65 -4.582 -12.863 5.735 1.00 61.03 C ATOM 1148 O VAL A 65 -4.485 -13.995 6.203 1.00 22.11 O ATOM 1149 CB VAL A 65 -2.836 -12.638 3.904 1.00 72.44 C ATOM 1150 CG1 VAL A 65 -3.905 -12.573 2.794 1.00 42.20 C ATOM 1151 CG2 VAL A 65 -1.572 -11.904 3.412 1.00 40.35 C ATOM 0 H VAL A 65 -1.467 -12.797 5.984 1.00 11.41 H new ATOM 0 HA VAL A 65 -3.545 -11.042 5.185 1.00 33.33 H new ATOM 0 HB VAL A 65 -2.618 -13.690 4.088 1.00 72.44 H new ATOM 0 HG11 VAL A 65 -3.490 -12.965 1.866 1.00 42.20 H new ATOM 0 HG12 VAL A 65 -4.769 -13.170 3.086 1.00 42.20 H new ATOM 0 HG13 VAL A 65 -4.212 -11.538 2.645 1.00 42.20 H new ATOM 0 HG21 VAL A 65 -1.271 -12.306 2.444 1.00 40.35 H new ATOM 0 HG22 VAL A 65 -1.785 -10.840 3.313 1.00 40.35 H new ATOM 0 HG23 VAL A 65 -0.765 -12.047 4.131 1.00 40.35 H new ATOM 1161 N GLY A 66 -5.746 -12.208 5.614 1.00 55.35 N ATOM 1162 CA GLY A 66 -7.038 -12.713 6.083 1.00 0.44 C ATOM 1163 C GLY A 66 -7.355 -12.222 7.506 1.00 33.05 C ATOM 1164 O GLY A 66 -8.534 -12.082 7.832 1.00 40.34 O ATOM 0 H GLY A 66 -5.813 -11.289 5.176 1.00 55.35 H new ATOM 0 HA2 GLY A 66 -7.825 -12.389 5.402 1.00 0.44 H new ATOM 0 HA3 GLY A 66 -7.031 -13.803 6.067 1.00 0.44 H new ATOM 1168 N GLU A 67 -6.332 -11.923 8.326 1.00 70.23 N ATOM 1169 CA GLU A 67 -6.464 -11.264 9.626 1.00 22.42 C ATOM 1170 C GLU A 67 -6.417 -9.741 9.454 1.00 3.42 C ATOM 1171 O GLU A 67 -5.789 -9.234 8.521 1.00 51.32 O ATOM 1172 CB GLU A 67 -5.322 -11.717 10.564 1.00 4.45 C ATOM 1173 CG GLU A 67 -5.403 -13.177 11.048 1.00 21.52 C ATOM 1174 CD GLU A 67 -6.500 -13.380 12.095 1.00 43.40 C ATOM 1175 OE1 GLU A 67 -6.166 -13.263 13.293 1.00 55.24 O ATOM 1176 OE2 GLU A 67 -7.650 -13.640 11.679 1.00 21.22 O1- ATOM 0 H GLU A 67 -5.364 -12.142 8.090 1.00 70.23 H new ATOM 0 HA GLU A 67 -7.422 -11.542 10.065 1.00 22.42 H new ATOM 0 HB2 GLU A 67 -4.373 -11.576 10.047 1.00 4.45 H new ATOM 0 HB3 GLU A 67 -5.310 -11.063 11.436 1.00 4.45 H new ATOM 0 HG2 GLU A 67 -5.591 -13.830 10.196 1.00 21.52 H new ATOM 0 HG3 GLU A 67 -4.442 -13.472 11.470 1.00 21.52 H new ATOM 1183 N GLU A 68 -7.061 -9.045 10.399 1.00 62.04 N ATOM 1184 CA GLU A 68 -6.981 -7.595 10.548 1.00 12.35 C ATOM 1185 C GLU A 68 -5.701 -7.195 11.303 1.00 34.40 C ATOM 1186 O GLU A 68 -5.095 -8.012 11.998 1.00 15.45 O ATOM 1187 CB GLU A 68 -8.276 -7.089 11.209 1.00 64.11 C ATOM 1188 CG GLU A 68 -8.522 -7.573 12.650 1.00 10.43 C ATOM 1189 CD GLU A 68 -9.898 -7.131 13.138 1.00 23.43 C ATOM 1190 OE1 GLU A 68 -10.877 -7.823 12.782 1.00 32.13 O ATOM 1191 OE2 GLU A 68 -9.947 -6.099 13.842 1.00 13.42 O1- ATOM 0 H GLU A 68 -7.663 -9.487 11.093 1.00 62.04 H new ATOM 0 HA GLU A 68 -6.904 -7.113 9.573 1.00 12.35 H new ATOM 0 HB2 GLU A 68 -8.261 -5.999 11.209 1.00 64.11 H new ATOM 0 HB3 GLU A 68 -9.121 -7.396 10.593 1.00 64.11 H new ATOM 0 HG2 GLU A 68 -8.447 -8.660 12.692 1.00 10.43 H new ATOM 0 HG3 GLU A 68 -7.751 -7.175 13.310 1.00 10.43 H new ATOM 1198 N CYS A 69 -5.296 -5.936 11.099 1.00 13.21 N ATOM 1199 CA CYS A 69 -3.974 -5.419 11.448 1.00 70.35 C ATOM 1200 C CYS A 69 -4.000 -3.886 11.488 1.00 60.52 C ATOM 1201 O CYS A 69 -4.942 -3.282 10.980 1.00 3.44 O ATOM 1202 CB CYS A 69 -2.911 -5.953 10.467 1.00 55.14 C ATOM 1203 SG CYS A 69 -3.265 -5.461 8.748 1.00 2.14 S ATOM 0 H CYS A 69 -5.899 -5.231 10.674 1.00 13.21 H new ATOM 0 HA CYS A 69 -3.702 -5.770 12.443 1.00 70.35 H new ATOM 0 HB2 CYS A 69 -1.929 -5.579 10.757 1.00 55.14 H new ATOM 0 HB3 CYS A 69 -2.870 -7.040 10.532 1.00 55.14 H new ATOM 0 HG CYS A 69 -4.519 -5.136 8.639 1.00 2.14 H new ATOM 1209 N GLU A 70 -2.958 -3.296 12.090 1.00 1.31 N ATOM 1210 CA GLU A 70 -2.798 -1.853 12.252 1.00 5.34 C ATOM 1211 C GLU A 70 -1.591 -1.382 11.423 1.00 21.04 C ATOM 1212 O GLU A 70 -0.467 -1.804 11.696 1.00 4.41 O ATOM 1213 CB GLU A 70 -2.642 -1.557 13.756 1.00 62.11 C ATOM 1214 CG GLU A 70 -2.561 -0.060 14.106 1.00 33.43 C ATOM 1215 CD GLU A 70 -2.324 0.153 15.601 1.00 43.03 C ATOM 1216 OE1 GLU A 70 -1.264 0.731 15.931 1.00 55.11 O ATOM 1217 OE2 GLU A 70 -3.199 -0.271 16.387 1.00 1.21 O1- ATOM 0 H GLU A 70 -2.184 -3.829 12.487 1.00 1.31 H new ATOM 0 HA GLU A 70 -3.667 -1.305 11.887 1.00 5.34 H new ATOM 0 HB2 GLU A 70 -3.485 -1.997 14.289 1.00 62.11 H new ATOM 0 HB3 GLU A 70 -1.741 -2.052 14.119 1.00 62.11 H new ATOM 0 HG2 GLU A 70 -1.754 0.404 13.539 1.00 33.43 H new ATOM 0 HG3 GLU A 70 -3.486 0.435 13.809 1.00 33.43 H new ATOM 1224 N LEU A 71 -1.861 -0.518 10.433 1.00 63.25 N ATOM 1225 CA LEU A 71 -0.871 0.070 9.527 1.00 51.44 C ATOM 1226 C LEU A 71 -0.694 1.570 9.817 1.00 52.25 C ATOM 1227 O LEU A 71 -1.507 2.171 10.521 1.00 41.12 O ATOM 1228 CB LEU A 71 -1.309 -0.171 8.057 1.00 12.12 C ATOM 1229 CG LEU A 71 -0.690 -1.434 7.411 1.00 31.25 C ATOM 1230 CD1 LEU A 71 -1.108 -2.747 8.100 1.00 13.24 C ATOM 1231 CD2 LEU A 71 -0.958 -1.480 5.892 1.00 11.34 C ATOM 0 H LEU A 71 -2.810 -0.200 10.237 1.00 63.25 H new ATOM 0 HA LEU A 71 0.095 -0.410 9.687 1.00 51.44 H new ATOM 0 HB2 LEU A 71 -2.395 -0.254 8.022 1.00 12.12 H new ATOM 0 HB3 LEU A 71 -1.036 0.700 7.461 1.00 12.12 H new ATOM 0 HG LEU A 71 0.386 -1.350 7.564 1.00 31.25 H new ATOM 0 HD11 LEU A 71 -0.637 -3.590 7.594 1.00 13.24 H new ATOM 0 HD12 LEU A 71 -0.792 -2.727 9.143 1.00 13.24 H new ATOM 0 HD13 LEU A 71 -2.192 -2.855 8.051 1.00 13.24 H new ATOM 0 HD21 LEU A 71 -0.510 -2.380 5.470 1.00 11.34 H new ATOM 0 HD22 LEU A 71 -2.033 -1.492 5.712 1.00 11.34 H new ATOM 0 HD23 LEU A 71 -0.521 -0.601 5.419 1.00 11.34 H new ATOM 1243 N GLU A 72 0.382 2.130 9.245 1.00 31.40 N ATOM 1244 CA GLU A 72 0.781 3.534 9.331 1.00 14.02 C ATOM 1245 C GLU A 72 0.708 4.176 7.931 1.00 21.53 C ATOM 1246 O GLU A 72 0.975 3.500 6.937 1.00 23.03 O ATOM 1247 CB GLU A 72 2.219 3.576 9.901 1.00 41.41 C ATOM 1248 CG GLU A 72 2.800 4.990 10.122 1.00 41.14 C ATOM 1249 CD GLU A 72 4.239 5.019 10.648 1.00 41.24 C ATOM 1250 OE1 GLU A 72 4.872 3.942 10.713 1.00 4.01 O ATOM 1251 OE2 GLU A 72 4.700 6.142 10.950 1.00 22.04 O1- ATOM 0 H GLU A 72 1.030 1.581 8.680 1.00 31.40 H new ATOM 0 HA GLU A 72 0.116 4.098 9.985 1.00 14.02 H new ATOM 0 HB2 GLU A 72 2.231 3.043 10.852 1.00 41.41 H new ATOM 0 HB3 GLU A 72 2.877 3.033 9.223 1.00 41.41 H new ATOM 0 HG2 GLU A 72 2.762 5.535 9.179 1.00 41.14 H new ATOM 0 HG3 GLU A 72 2.161 5.524 10.825 1.00 41.14 H new ATOM 1258 N THR A 73 0.388 5.480 7.896 1.00 53.10 N ATOM 1259 CA THR A 73 0.379 6.329 6.697 1.00 22.32 C ATOM 1260 C THR A 73 1.511 7.384 6.775 1.00 73.14 C ATOM 1261 O THR A 73 2.194 7.475 7.794 1.00 51.31 O ATOM 1262 CB THR A 73 -0.989 7.058 6.545 1.00 61.01 C ATOM 1263 OG1 THR A 73 -1.162 8.113 7.472 1.00 25.44 O ATOM 1264 CG2 THR A 73 -2.203 6.116 6.614 1.00 13.44 C ATOM 0 H THR A 73 0.118 5.990 8.737 1.00 53.10 H new ATOM 0 HA THR A 73 0.538 5.686 5.831 1.00 22.32 H new ATOM 0 HB THR A 73 -0.947 7.480 5.541 1.00 61.01 H new ATOM 0 HG1 THR A 73 -1.254 7.743 8.375 1.00 25.44 H new ATOM 0 HG21 THR A 73 -3.120 6.695 6.501 1.00 13.44 H new ATOM 0 HG22 THR A 73 -2.138 5.379 5.813 1.00 13.44 H new ATOM 0 HG23 THR A 73 -2.213 5.605 7.577 1.00 13.44 H new ATOM 1272 N MET A 74 1.705 8.152 5.686 1.00 65.23 N ATOM 1273 CA MET A 74 2.793 9.126 5.496 1.00 15.22 C ATOM 1274 C MET A 74 2.937 10.219 6.578 1.00 61.53 C ATOM 1275 O MET A 74 4.057 10.681 6.791 1.00 63.41 O ATOM 1276 CB MET A 74 2.692 9.771 4.093 1.00 4.31 C ATOM 1277 CG MET A 74 3.132 8.869 2.926 1.00 63.10 C ATOM 1278 SD MET A 74 2.024 7.501 2.486 1.00 71.13 S ATOM 1279 CE MET A 74 2.873 6.895 1.004 1.00 42.32 C ATOM 0 H MET A 74 1.080 8.108 4.881 1.00 65.23 H new ATOM 0 HA MET A 74 3.703 8.534 5.595 1.00 15.22 H new ATOM 0 HB2 MET A 74 1.660 10.078 3.925 1.00 4.31 H new ATOM 0 HB3 MET A 74 3.300 10.676 4.082 1.00 4.31 H new ATOM 0 HG2 MET A 74 3.265 9.495 2.044 1.00 63.10 H new ATOM 0 HG3 MET A 74 4.108 8.450 3.170 1.00 63.10 H new ATOM 0 HE1 MET A 74 2.327 6.045 0.594 1.00 42.32 H new ATOM 0 HE2 MET A 74 2.919 7.690 0.260 1.00 42.32 H new ATOM 0 HE3 MET A 74 3.885 6.584 1.266 1.00 42.32 H new ATOM 1289 N THR A 75 1.834 10.605 7.243 1.00 42.10 N ATOM 1290 CA THR A 75 1.824 11.594 8.329 1.00 73.34 C ATOM 1291 C THR A 75 2.131 10.985 9.718 1.00 4.34 C ATOM 1292 O THR A 75 2.415 11.747 10.642 1.00 65.22 O ATOM 1293 CB THR A 75 0.430 12.271 8.441 1.00 44.22 C ATOM 1294 OG1 THR A 75 -0.582 11.340 8.770 1.00 73.25 O ATOM 1295 CG2 THR A 75 -0.001 13.035 7.184 1.00 62.31 C ATOM 0 H THR A 75 0.909 10.230 7.035 1.00 42.10 H new ATOM 0 HA THR A 75 2.606 12.307 8.069 1.00 73.34 H new ATOM 0 HB THR A 75 0.552 12.997 9.245 1.00 44.22 H new ATOM 0 HG1 THR A 75 -0.935 11.542 9.662 1.00 73.25 H new ATOM 0 HG21 THR A 75 -0.984 13.477 7.346 1.00 62.31 H new ATOM 0 HG22 THR A 75 0.721 13.824 6.972 1.00 62.31 H new ATOM 0 HG23 THR A 75 -0.047 12.348 6.339 1.00 62.31 H new ATOM 1303 N GLY A 76 2.046 9.652 9.854 1.00 3.43 N ATOM 1304 CA GLY A 76 2.112 8.961 11.140 1.00 13.34 C ATOM 1305 C GLY A 76 0.708 8.709 11.719 1.00 34.01 C ATOM 1306 O GLY A 76 0.617 8.116 12.794 1.00 72.12 O ATOM 0 H GLY A 76 1.928 9.021 9.061 1.00 3.43 H new ATOM 0 HA2 GLY A 76 2.632 8.011 11.017 1.00 13.34 H new ATOM 0 HA3 GLY A 76 2.695 9.555 11.844 1.00 13.34 H new ATOM 1310 N GLU A 77 -0.377 9.103 11.016 1.00 2.11 N ATOM 1311 CA GLU A 77 -1.747 8.647 11.279 1.00 62.44 C ATOM 1312 C GLU A 77 -1.840 7.131 11.073 1.00 4.12 C ATOM 1313 O GLU A 77 -1.396 6.636 10.036 1.00 42.31 O ATOM 1314 CB GLU A 77 -2.755 9.360 10.344 1.00 1.33 C ATOM 1315 CG GLU A 77 -3.304 10.698 10.877 1.00 21.25 C ATOM 1316 CD GLU A 77 -4.332 10.560 12.008 1.00 24.55 C ATOM 1317 OE1 GLU A 77 -4.598 9.416 12.440 1.00 34.11 O ATOM 1318 OE2 GLU A 77 -4.857 11.620 12.412 1.00 2.32 O1- ATOM 0 H GLU A 77 -0.317 9.759 10.237 1.00 2.11 H new ATOM 0 HA GLU A 77 -1.997 8.892 12.311 1.00 62.44 H new ATOM 0 HB2 GLU A 77 -2.272 9.540 9.383 1.00 1.33 H new ATOM 0 HB3 GLU A 77 -3.593 8.689 10.159 1.00 1.33 H new ATOM 0 HG2 GLU A 77 -2.470 11.302 11.233 1.00 21.25 H new ATOM 0 HG3 GLU A 77 -3.762 11.243 10.051 1.00 21.25 H new ATOM 1325 N LYS A 78 -2.406 6.438 12.069 1.00 34.45 N ATOM 1326 CA LYS A 78 -2.545 4.986 12.055 1.00 62.24 C ATOM 1327 C LYS A 78 -4.008 4.590 11.852 1.00 52.53 C ATOM 1328 O LYS A 78 -4.923 5.328 12.218 1.00 41.41 O ATOM 1329 CB LYS A 78 -1.955 4.383 13.339 1.00 24.04 C ATOM 1330 CG LYS A 78 -0.448 4.672 13.496 1.00 12.42 C ATOM 1331 CD LYS A 78 0.275 3.640 14.372 1.00 34.14 C ATOM 1332 CE LYS A 78 0.650 2.368 13.595 1.00 51.30 C ATOM 1333 NZ LYS A 78 1.106 1.298 14.493 1.00 3.34 N1+ ATOM 0 H LYS A 78 -2.781 6.877 12.910 1.00 34.45 H new ATOM 0 HA LYS A 78 -1.982 4.580 11.214 1.00 62.24 H new ATOM 0 HB2 LYS A 78 -2.489 4.782 14.201 1.00 24.04 H new ATOM 0 HB3 LYS A 78 -2.115 3.305 13.336 1.00 24.04 H new ATOM 0 HG2 LYS A 78 0.017 4.692 12.510 1.00 12.42 H new ATOM 0 HG3 LYS A 78 -0.318 5.663 13.930 1.00 12.42 H new ATOM 0 HD2 LYS A 78 1.178 4.089 14.786 1.00 34.14 H new ATOM 0 HD3 LYS A 78 -0.363 3.373 15.214 1.00 34.14 H new ATOM 0 HE2 LYS A 78 -0.212 2.022 13.025 1.00 51.30 H new ATOM 0 HE3 LYS A 78 1.436 2.599 12.876 1.00 51.30 H new ATOM 0 HZ1 LYS A 78 1.430 0.486 13.929 1.00 3.34 H new ATOM 0 HZ2 LYS A 78 1.891 1.648 15.079 1.00 3.34 H new ATOM 0 HZ3 LYS A 78 0.320 1.002 15.107 1.00 3.34 H new ATOM 1347 N VAL A 79 -4.175 3.421 11.224 1.00 4.14 N ATOM 1348 CA VAL A 79 -5.437 2.935 10.692 1.00 74.43 C ATOM 1349 C VAL A 79 -5.459 1.403 10.758 1.00 74.30 C ATOM 1350 O VAL A 79 -4.553 0.750 10.237 1.00 24.50 O ATOM 1351 CB VAL A 79 -5.642 3.386 9.210 1.00 63.22 C ATOM 1352 CG1 VAL A 79 -6.210 4.810 9.109 1.00 32.44 C ATOM 1353 CG2 VAL A 79 -4.375 3.272 8.332 1.00 71.32 C ATOM 0 H VAL A 79 -3.404 2.771 11.071 1.00 4.14 H new ATOM 0 HA VAL A 79 -6.243 3.354 11.294 1.00 74.43 H new ATOM 0 HB VAL A 79 -6.371 2.678 8.815 1.00 63.22 H new ATOM 0 HG11 VAL A 79 -6.335 5.078 8.060 1.00 32.44 H new ATOM 0 HG12 VAL A 79 -7.176 4.853 9.612 1.00 32.44 H new ATOM 0 HG13 VAL A 79 -5.523 5.510 9.583 1.00 32.44 H new ATOM 0 HG21 VAL A 79 -4.603 3.604 7.319 1.00 71.32 H new ATOM 0 HG22 VAL A 79 -3.585 3.897 8.750 1.00 71.32 H new ATOM 0 HG23 VAL A 79 -4.042 2.234 8.307 1.00 71.32 H new ATOM 1363 N LYS A 80 -6.524 0.858 11.371 1.00 63.33 N ATOM 1364 CA LYS A 80 -6.851 -0.563 11.271 1.00 34.21 C ATOM 1365 C LYS A 80 -7.450 -0.886 9.893 1.00 52.24 C ATOM 1366 O LYS A 80 -8.161 -0.065 9.313 1.00 75.41 O ATOM 1367 CB LYS A 80 -7.740 -1.024 12.443 1.00 34.34 C ATOM 1368 CG LYS A 80 -6.914 -1.369 13.700 1.00 31.13 C ATOM 1369 CD LYS A 80 -7.752 -1.805 14.917 1.00 52.13 C ATOM 1370 CE LYS A 80 -8.656 -3.033 14.701 1.00 31.42 C ATOM 1371 NZ LYS A 80 -7.895 -4.234 14.320 1.00 4.01 N1+ ATOM 0 H LYS A 80 -7.176 1.393 11.946 1.00 63.33 H new ATOM 0 HA LYS A 80 -5.929 -1.138 11.355 1.00 34.21 H new ATOM 0 HB2 LYS A 80 -8.456 -0.238 12.685 1.00 34.34 H new ATOM 0 HB3 LYS A 80 -8.316 -1.897 12.138 1.00 34.34 H new ATOM 0 HG2 LYS A 80 -6.215 -2.168 13.452 1.00 31.13 H new ATOM 0 HG3 LYS A 80 -6.319 -0.499 13.978 1.00 31.13 H new ATOM 0 HD2 LYS A 80 -7.074 -2.017 15.744 1.00 52.13 H new ATOM 0 HD3 LYS A 80 -8.377 -0.966 15.224 1.00 52.13 H new ATOM 0 HE2 LYS A 80 -9.213 -3.235 15.616 1.00 31.42 H new ATOM 0 HE3 LYS A 80 -9.388 -2.809 13.925 1.00 31.42 H new ATOM 0 HZ1 LYS A 80 -8.554 -5.014 14.121 1.00 4.01 H new ATOM 0 HZ2 LYS A 80 -7.330 -4.032 13.470 1.00 4.01 H new ATOM 0 HZ3 LYS A 80 -7.263 -4.506 15.099 1.00 4.01 H new ATOM 1385 N THR A 81 -7.089 -2.073 9.391 1.00 10.31 N ATOM 1386 CA THR A 81 -7.291 -2.496 8.012 1.00 71.10 C ATOM 1387 C THR A 81 -7.205 -4.031 7.925 1.00 11.10 C ATOM 1388 O THR A 81 -6.665 -4.664 8.834 1.00 2.42 O ATOM 1389 CB THR A 81 -6.216 -1.840 7.095 1.00 64.15 C ATOM 1390 OG1 THR A 81 -6.434 -2.147 5.733 1.00 65.32 O ATOM 1391 CG2 THR A 81 -4.755 -2.211 7.410 1.00 11.32 C ATOM 0 H THR A 81 -6.632 -2.786 9.959 1.00 10.31 H new ATOM 0 HA THR A 81 -8.278 -2.178 7.676 1.00 71.10 H new ATOM 0 HB THR A 81 -6.342 -0.777 7.301 1.00 64.15 H new ATOM 0 HG1 THR A 81 -7.396 -2.135 5.545 1.00 65.32 H new ATOM 0 HG21 THR A 81 -4.091 -1.700 6.713 1.00 11.32 H new ATOM 0 HG22 THR A 81 -4.514 -1.908 8.429 1.00 11.32 H new ATOM 0 HG23 THR A 81 -4.624 -3.289 7.312 1.00 11.32 H new ATOM 1399 N VAL A 82 -7.745 -4.601 6.839 1.00 12.10 N ATOM 1400 CA VAL A 82 -7.711 -6.039 6.567 1.00 65.00 C ATOM 1401 C VAL A 82 -7.283 -6.234 5.099 1.00 15.30 C ATOM 1402 O VAL A 82 -7.643 -5.413 4.253 1.00 20.31 O ATOM 1403 CB VAL A 82 -9.103 -6.721 6.753 1.00 43.35 C ATOM 1404 CG1 VAL A 82 -8.936 -8.199 7.149 1.00 44.21 C ATOM 1405 CG2 VAL A 82 -10.011 -6.031 7.790 1.00 75.14 C ATOM 0 H VAL A 82 -8.224 -4.065 6.116 1.00 12.10 H new ATOM 0 HA VAL A 82 -7.017 -6.496 7.272 1.00 65.00 H new ATOM 0 HB VAL A 82 -9.594 -6.630 5.784 1.00 43.35 H new ATOM 0 HG11 VAL A 82 -9.918 -8.655 7.274 1.00 44.21 H new ATOM 0 HG12 VAL A 82 -8.388 -8.725 6.368 1.00 44.21 H new ATOM 0 HG13 VAL A 82 -8.384 -8.264 8.087 1.00 44.21 H new ATOM 0 HG21 VAL A 82 -10.958 -6.567 7.858 1.00 75.14 H new ATOM 0 HG22 VAL A 82 -9.520 -6.035 8.763 1.00 75.14 H new ATOM 0 HG23 VAL A 82 -10.198 -5.002 7.483 1.00 75.14 H new ATOM 1415 N VAL A 83 -6.513 -7.302 4.831 1.00 41.31 N ATOM 1416 CA VAL A 83 -5.913 -7.575 3.521 1.00 54.31 C ATOM 1417 C VAL A 83 -6.216 -9.030 3.110 1.00 42.34 C ATOM 1418 O VAL A 83 -6.010 -9.931 3.922 1.00 72.03 O ATOM 1419 CB VAL A 83 -4.360 -7.413 3.575 1.00 63.10 C ATOM 1420 CG1 VAL A 83 -3.691 -7.572 2.193 1.00 45.23 C ATOM 1421 CG2 VAL A 83 -3.909 -6.089 4.224 1.00 52.03 C ATOM 0 H VAL A 83 -6.289 -8.009 5.531 1.00 41.31 H new ATOM 0 HA VAL A 83 -6.333 -6.868 2.806 1.00 54.31 H new ATOM 0 HB VAL A 83 -4.024 -8.230 4.213 1.00 63.10 H new ATOM 0 HG11 VAL A 83 -2.613 -7.449 2.294 1.00 45.23 H new ATOM 0 HG12 VAL A 83 -3.907 -8.564 1.796 1.00 45.23 H new ATOM 0 HG13 VAL A 83 -4.080 -6.816 1.511 1.00 45.23 H new ATOM 0 HG21 VAL A 83 -2.820 -6.039 4.230 1.00 52.03 H new ATOM 0 HG22 VAL A 83 -4.307 -5.250 3.654 1.00 52.03 H new ATOM 0 HG23 VAL A 83 -4.280 -6.041 5.248 1.00 52.03 H new ATOM 1431 N GLN A 84 -6.669 -9.233 1.861 1.00 61.33 N ATOM 1432 CA GLN A 84 -6.889 -10.548 1.242 1.00 41.54 C ATOM 1433 C GLN A 84 -6.319 -10.581 -0.179 1.00 4.15 C ATOM 1434 O GLN A 84 -6.327 -9.557 -0.858 1.00 61.00 O ATOM 1435 CB GLN A 84 -8.392 -10.909 1.188 1.00 50.45 C ATOM 1436 CG GLN A 84 -8.994 -11.365 2.530 1.00 14.11 C ATOM 1437 CD GLN A 84 -9.671 -10.232 3.296 1.00 70.34 C ATOM 1438 OE1 GLN A 84 -10.591 -9.593 2.793 1.00 4.12 O ATOM 1439 NE2 GLN A 84 -9.242 -10.000 4.534 1.00 32.13 N ATOM 0 H GLN A 84 -6.899 -8.461 1.236 1.00 61.33 H new ATOM 0 HA GLN A 84 -6.374 -11.281 1.863 1.00 41.54 H new ATOM 0 HB2 GLN A 84 -8.947 -10.041 0.833 1.00 50.45 H new ATOM 0 HB3 GLN A 84 -8.535 -11.702 0.453 1.00 50.45 H new ATOM 0 HG2 GLN A 84 -9.721 -12.156 2.346 1.00 14.11 H new ATOM 0 HG3 GLN A 84 -8.206 -11.794 3.148 1.00 14.11 H new ATOM 0 HE21 GLN A 84 -8.475 -10.551 4.920 1.00 32.13 H new ATOM 0 HE22 GLN A 84 -9.680 -9.271 5.097 1.00 32.13 H new ATOM 1448 N LEU A 85 -5.898 -11.777 -0.620 1.00 40.43 N ATOM 1449 CA LEU A 85 -5.489 -12.050 -1.999 1.00 51.31 C ATOM 1450 C LEU A 85 -6.729 -12.263 -2.892 1.00 54.41 C ATOM 1451 O LEU A 85 -7.646 -12.975 -2.482 1.00 41.12 O ATOM 1452 CB LEU A 85 -4.572 -13.296 -1.997 1.00 65.52 C ATOM 1453 CG LEU A 85 -3.788 -13.549 -3.306 1.00 33.43 C ATOM 1454 CD1 LEU A 85 -2.561 -12.636 -3.426 1.00 3.42 C ATOM 1455 CD2 LEU A 85 -3.375 -15.020 -3.441 1.00 64.25 C ATOM 0 H LEU A 85 -5.833 -12.594 -0.013 1.00 40.43 H new ATOM 0 HA LEU A 85 -4.940 -11.202 -2.407 1.00 51.31 H new ATOM 0 HB2 LEU A 85 -3.858 -13.198 -1.180 1.00 65.52 H new ATOM 0 HB3 LEU A 85 -5.182 -14.174 -1.784 1.00 65.52 H new ATOM 0 HG LEU A 85 -4.465 -13.308 -4.125 1.00 33.43 H new ATOM 0 HD11 LEU A 85 -2.040 -12.848 -4.360 1.00 3.42 H new ATOM 0 HD12 LEU A 85 -2.881 -11.594 -3.417 1.00 3.42 H new ATOM 0 HD13 LEU A 85 -1.889 -12.817 -2.587 1.00 3.42 H new ATOM 0 HD21 LEU A 85 -2.826 -15.160 -4.372 1.00 64.25 H new ATOM 0 HD22 LEU A 85 -2.739 -15.298 -2.600 1.00 64.25 H new ATOM 0 HD23 LEU A 85 -4.265 -15.649 -3.446 1.00 64.25 H new ATOM 1467 N GLU A 86 -6.713 -11.692 -4.110 1.00 40.40 N ATOM 1468 CA GLU A 86 -7.750 -11.877 -5.137 1.00 12.40 C ATOM 1469 C GLU A 86 -7.509 -13.144 -6.001 1.00 63.23 C ATOM 1470 O GLU A 86 -8.229 -13.362 -6.975 1.00 40.13 O ATOM 1471 CB GLU A 86 -7.856 -10.575 -5.970 1.00 41.14 C ATOM 1472 CG GLU A 86 -9.184 -10.414 -6.751 1.00 61.31 C ATOM 1473 CD GLU A 86 -9.327 -9.090 -7.507 1.00 51.24 C ATOM 1474 OE1 GLU A 86 -8.306 -8.387 -7.676 1.00 61.21 O ATOM 1475 OE2 GLU A 86 -10.474 -8.806 -7.916 1.00 12.13 O1- ATOM 0 H GLU A 86 -5.960 -11.075 -4.413 1.00 40.40 H new ATOM 0 HA GLU A 86 -8.711 -12.059 -4.656 1.00 12.40 H new ATOM 0 HB2 GLU A 86 -7.737 -9.722 -5.302 1.00 41.14 H new ATOM 0 HB3 GLU A 86 -7.028 -10.544 -6.678 1.00 41.14 H new ATOM 0 HG2 GLU A 86 -9.272 -11.234 -7.463 1.00 61.31 H new ATOM 0 HG3 GLU A 86 -10.015 -10.508 -6.051 1.00 61.31 H new ATOM 1482 N GLY A 87 -6.506 -13.966 -5.641 1.00 52.41 N ATOM 1483 CA GLY A 87 -6.131 -15.209 -6.324 1.00 62.21 C ATOM 1484 C GLY A 87 -5.414 -14.977 -7.668 1.00 53.52 C ATOM 1485 O GLY A 87 -5.152 -15.946 -8.379 1.00 50.23 O ATOM 0 H GLY A 87 -5.914 -13.771 -4.834 1.00 52.41 H new ATOM 0 HA2 GLY A 87 -5.482 -15.792 -5.671 1.00 62.21 H new ATOM 0 HA3 GLY A 87 -7.027 -15.804 -6.497 1.00 62.21 H new ATOM 1489 N ASP A 88 -5.119 -13.714 -8.016 1.00 71.04 N ATOM 1490 CA ASP A 88 -4.653 -13.262 -9.327 1.00 30.21 C ATOM 1491 C ASP A 88 -3.360 -12.437 -9.142 1.00 42.45 C ATOM 1492 O ASP A 88 -3.213 -11.382 -9.756 1.00 71.24 O ATOM 1493 CB ASP A 88 -5.808 -12.492 -10.028 1.00 73.41 C ATOM 1494 CG ASP A 88 -5.552 -12.025 -11.468 1.00 71.32 C ATOM 1495 OD1 ASP A 88 -4.748 -12.681 -12.165 1.00 25.20 O ATOM 1496 OD2 ASP A 88 -6.223 -11.045 -11.864 1.00 54.44 O1- ATOM 0 H ASP A 88 -5.205 -12.944 -7.352 1.00 71.04 H new ATOM 0 HA ASP A 88 -4.394 -14.095 -9.981 1.00 30.21 H new ATOM 0 HB2 ASP A 88 -6.691 -13.131 -10.030 1.00 73.41 H new ATOM 0 HB3 ASP A 88 -6.049 -11.617 -9.424 1.00 73.41 H new ATOM 1501 N ASN A 89 -2.451 -12.913 -8.265 1.00 55.11 N ATOM 1502 CA ASN A 89 -1.218 -12.228 -7.818 1.00 54.15 C ATOM 1503 C ASN A 89 -1.434 -10.751 -7.410 1.00 13.15 C ATOM 1504 O ASN A 89 -0.610 -9.890 -7.703 1.00 32.05 O ATOM 1505 CB ASN A 89 0.029 -12.501 -8.723 1.00 72.33 C ATOM 1506 CG ASN A 89 -0.231 -12.903 -10.181 1.00 34.24 C ATOM 1507 OD1 ASN A 89 -0.296 -14.088 -10.499 1.00 23.44 O ATOM 1508 ND2 ASN A 89 -0.388 -11.923 -11.071 1.00 72.24 N ATOM 0 H ASN A 89 -2.561 -13.828 -7.828 1.00 55.11 H new ATOM 0 HA ASN A 89 -0.950 -12.711 -6.878 1.00 54.15 H new ATOM 0 HB2 ASN A 89 0.646 -11.602 -8.726 1.00 72.33 H new ATOM 0 HB3 ASN A 89 0.618 -13.290 -8.256 1.00 72.33 H new ATOM 0 HD21 ASN A 89 -0.568 -12.147 -12.050 1.00 72.24 H new ATOM 0 HD22 ASN A 89 -0.328 -10.949 -10.773 1.00 72.24 H new ATOM 1515 N LYS A 90 -2.577 -10.505 -6.751 1.00 70.41 N ATOM 1516 CA LYS A 90 -3.079 -9.201 -6.335 1.00 43.31 C ATOM 1517 C LYS A 90 -3.560 -9.292 -4.889 1.00 61.44 C ATOM 1518 O LYS A 90 -4.264 -10.247 -4.567 1.00 11.11 O ATOM 1519 CB LYS A 90 -4.291 -8.823 -7.220 1.00 43.14 C ATOM 1520 CG LYS A 90 -3.955 -8.338 -8.635 1.00 44.14 C ATOM 1521 CD LYS A 90 -5.189 -8.380 -9.542 1.00 4.11 C ATOM 1522 CE LYS A 90 -4.899 -7.903 -10.965 1.00 2.42 C ATOM 1523 NZ LYS A 90 -6.039 -8.172 -11.856 1.00 43.54 N1+ ATOM 0 H LYS A 90 -3.207 -11.261 -6.482 1.00 70.41 H new ATOM 0 HA LYS A 90 -2.288 -8.457 -6.429 1.00 43.31 H new ATOM 0 HB2 LYS A 90 -4.945 -9.692 -7.299 1.00 43.14 H new ATOM 0 HB3 LYS A 90 -4.858 -8.042 -6.713 1.00 43.14 H new ATOM 0 HG2 LYS A 90 -3.567 -7.320 -8.591 1.00 44.14 H new ATOM 0 HG3 LYS A 90 -3.168 -8.961 -9.059 1.00 44.14 H new ATOM 0 HD2 LYS A 90 -5.573 -9.400 -9.577 1.00 4.11 H new ATOM 0 HD3 LYS A 90 -5.973 -7.759 -9.109 1.00 4.11 H new ATOM 0 HE2 LYS A 90 -4.684 -6.834 -10.957 1.00 2.42 H new ATOM 0 HE3 LYS A 90 -4.009 -8.405 -11.346 1.00 2.42 H new ATOM 0 HZ1 LYS A 90 -5.843 -7.778 -12.798 1.00 43.54 H new ATOM 0 HZ2 LYS A 90 -6.185 -9.199 -11.933 1.00 43.54 H new ATOM 0 HZ3 LYS A 90 -6.896 -7.729 -11.467 1.00 43.54 H new ATOM 1537 N LEU A 91 -3.263 -8.260 -4.087 1.00 54.14 N ATOM 1538 CA LEU A 91 -3.910 -8.031 -2.794 1.00 71.14 C ATOM 1539 C LEU A 91 -4.970 -6.935 -2.964 1.00 73.50 C ATOM 1540 O LEU A 91 -4.741 -5.969 -3.690 1.00 41.45 O ATOM 1541 CB LEU A 91 -2.876 -7.596 -1.731 1.00 34.10 C ATOM 1542 CG LEU A 91 -1.838 -8.667 -1.322 1.00 33.12 C ATOM 1543 CD1 LEU A 91 -0.651 -8.020 -0.580 1.00 43.11 C ATOM 1544 CD2 LEU A 91 -2.469 -9.820 -0.509 1.00 11.33 C ATOM 0 H LEU A 91 -2.562 -7.558 -4.322 1.00 54.14 H new ATOM 0 HA LEU A 91 -4.374 -8.958 -2.456 1.00 71.14 H new ATOM 0 HB2 LEU A 91 -2.341 -6.724 -2.108 1.00 34.10 H new ATOM 0 HB3 LEU A 91 -3.414 -7.279 -0.837 1.00 34.10 H new ATOM 0 HG LEU A 91 -1.456 -9.118 -2.238 1.00 33.12 H new ATOM 0 HD11 LEU A 91 0.068 -8.791 -0.301 1.00 43.11 H new ATOM 0 HD12 LEU A 91 -0.168 -7.292 -1.232 1.00 43.11 H new ATOM 0 HD13 LEU A 91 -1.013 -7.519 0.318 1.00 43.11 H new ATOM 0 HD21 LEU A 91 -1.698 -10.545 -0.247 1.00 11.33 H new ATOM 0 HD22 LEU A 91 -2.917 -9.421 0.401 1.00 11.33 H new ATOM 0 HD23 LEU A 91 -3.238 -10.309 -1.107 1.00 11.33 H new ATOM 1556 N VAL A 92 -6.091 -7.089 -2.249 1.00 32.00 N ATOM 1557 CA VAL A 92 -7.136 -6.083 -2.093 1.00 22.23 C ATOM 1558 C VAL A 92 -7.280 -5.811 -0.588 1.00 44.13 C ATOM 1559 O VAL A 92 -7.312 -6.751 0.208 1.00 43.41 O ATOM 1560 CB VAL A 92 -8.502 -6.573 -2.657 1.00 73.14 C ATOM 1561 CG1 VAL A 92 -9.677 -5.609 -2.381 1.00 43.24 C ATOM 1562 CG2 VAL A 92 -8.413 -6.844 -4.171 1.00 33.22 C ATOM 0 H VAL A 92 -6.298 -7.952 -1.746 1.00 32.00 H new ATOM 0 HA VAL A 92 -6.860 -5.186 -2.647 1.00 22.23 H new ATOM 0 HB VAL A 92 -8.714 -7.498 -2.121 1.00 73.14 H new ATOM 0 HG11 VAL A 92 -10.593 -6.021 -2.805 1.00 43.24 H new ATOM 0 HG12 VAL A 92 -9.800 -5.483 -1.305 1.00 43.24 H new ATOM 0 HG13 VAL A 92 -9.469 -4.641 -2.838 1.00 43.24 H new ATOM 0 HG21 VAL A 92 -9.381 -7.185 -4.537 1.00 33.22 H new ATOM 0 HG22 VAL A 92 -8.131 -5.927 -4.689 1.00 33.22 H new ATOM 0 HG23 VAL A 92 -7.663 -7.612 -4.360 1.00 33.22 H new ATOM 1572 N THR A 93 -7.350 -4.522 -0.235 1.00 63.53 N ATOM 1573 CA THR A 93 -7.388 -4.042 1.141 1.00 13.43 C ATOM 1574 C THR A 93 -8.154 -2.710 1.237 1.00 2.45 C ATOM 1575 O THR A 93 -8.191 -1.945 0.274 1.00 12.21 O ATOM 1576 CB THR A 93 -5.953 -3.946 1.745 1.00 65.32 C ATOM 1577 OG1 THR A 93 -5.945 -3.340 3.022 1.00 23.40 O ATOM 1578 CG2 THR A 93 -4.916 -3.183 0.907 1.00 32.30 C ATOM 0 H THR A 93 -7.382 -3.768 -0.921 1.00 63.53 H new ATOM 0 HA THR A 93 -7.934 -4.769 1.742 1.00 13.43 H new ATOM 0 HB THR A 93 -5.662 -4.996 1.781 1.00 65.32 H new ATOM 0 HG1 THR A 93 -6.465 -3.887 3.647 1.00 23.40 H new ATOM 0 HG21 THR A 93 -3.958 -3.182 1.427 1.00 32.30 H new ATOM 0 HG22 THR A 93 -4.803 -3.669 -0.062 1.00 32.30 H new ATOM 0 HG23 THR A 93 -5.251 -2.156 0.761 1.00 32.30 H new ATOM 1586 N THR A 94 -8.784 -2.486 2.396 1.00 31.54 N ATOM 1587 CA THR A 94 -9.561 -1.293 2.715 1.00 61.25 C ATOM 1588 C THR A 94 -9.286 -0.918 4.180 1.00 52.21 C ATOM 1589 O THR A 94 -9.459 -1.749 5.073 1.00 72.24 O ATOM 1590 CB THR A 94 -11.091 -1.527 2.559 1.00 73.32 C ATOM 1591 OG1 THR A 94 -11.517 -2.699 3.233 1.00 22.12 O ATOM 1592 CG2 THR A 94 -11.551 -1.635 1.101 1.00 71.41 C ATOM 0 H THR A 94 -8.763 -3.158 3.163 1.00 31.54 H new ATOM 0 HA THR A 94 -9.265 -0.504 2.024 1.00 61.25 H new ATOM 0 HB THR A 94 -11.545 -0.642 3.004 1.00 73.32 H new ATOM 0 HG1 THR A 94 -10.912 -2.885 3.981 1.00 22.12 H new ATOM 0 HG21 THR A 94 -12.628 -1.798 1.070 1.00 71.41 H new ATOM 0 HG22 THR A 94 -11.308 -0.713 0.574 1.00 71.41 H new ATOM 0 HG23 THR A 94 -11.044 -2.472 0.621 1.00 71.41 H new ATOM 1600 N PHE A 95 -8.881 0.346 4.376 1.00 12.34 N ATOM 1601 CA PHE A 95 -8.639 0.957 5.680 1.00 32.24 C ATOM 1602 C PHE A 95 -9.981 1.374 6.309 1.00 42.34 C ATOM 1603 O PHE A 95 -10.567 0.589 7.052 1.00 52.11 O ATOM 1604 CB PHE A 95 -7.656 2.143 5.528 1.00 51.52 C ATOM 1605 CG PHE A 95 -6.294 1.809 4.946 1.00 14.51 C ATOM 1606 CD1 PHE A 95 -6.082 1.870 3.552 1.00 42.12 C ATOM 1607 CD2 PHE A 95 -5.266 1.311 5.769 1.00 64.50 C ATOM 1608 CE1 PHE A 95 -4.848 1.520 3.021 1.00 24.11 C ATOM 1609 CE2 PHE A 95 -4.038 0.967 5.220 1.00 31.44 C ATOM 1610 CZ PHE A 95 -3.827 1.078 3.852 1.00 4.31 C ATOM 0 H PHE A 95 -8.709 0.987 3.602 1.00 12.34 H new ATOM 0 HA PHE A 95 -8.173 0.240 6.355 1.00 32.24 H new ATOM 0 HB2 PHE A 95 -8.124 2.898 4.896 1.00 51.52 H new ATOM 0 HB3 PHE A 95 -7.509 2.595 6.509 1.00 51.52 H new ATOM 0 HD1 PHE A 95 -6.880 2.189 2.898 1.00 42.12 H new ATOM 0 HD2 PHE A 95 -5.433 1.196 6.830 1.00 64.50 H new ATOM 0 HE1 PHE A 95 -4.681 1.592 1.956 1.00 24.11 H new ATOM 0 HE2 PHE A 95 -3.244 0.612 5.860 1.00 31.44 H new ATOM 0 HZ PHE A 95 -2.866 0.820 3.433 1.00 4.31 H new ATOM 1620 N LYS A 96 -10.433 2.600 5.991 1.00 53.44 N ATOM 1621 CA LYS A 96 -11.657 3.209 6.510 1.00 45.34 C ATOM 1622 C LYS A 96 -12.566 3.686 5.369 1.00 4.11 C ATOM 1623 O LYS A 96 -13.773 3.458 5.436 1.00 13.52 O ATOM 1624 CB LYS A 96 -11.288 4.373 7.455 1.00 23.43 C ATOM 1625 CG LYS A 96 -10.605 3.903 8.752 1.00 21.04 C ATOM 1626 CD LYS A 96 -10.279 5.052 9.715 1.00 75.14 C ATOM 1627 CE LYS A 96 -9.732 4.543 11.058 1.00 20.32 C ATOM 1628 NZ LYS A 96 -9.352 5.657 11.943 1.00 11.43 N1+ ATOM 0 H LYS A 96 -9.935 3.210 5.343 1.00 53.44 H new ATOM 0 HA LYS A 96 -12.216 2.460 7.072 1.00 45.34 H new ATOM 0 HB2 LYS A 96 -10.625 5.062 6.932 1.00 23.43 H new ATOM 0 HB3 LYS A 96 -12.191 4.929 7.707 1.00 23.43 H new ATOM 0 HG2 LYS A 96 -11.253 3.187 9.257 1.00 21.04 H new ATOM 0 HG3 LYS A 96 -9.684 3.377 8.500 1.00 21.04 H new ATOM 0 HD2 LYS A 96 -9.547 5.715 9.254 1.00 75.14 H new ATOM 0 HD3 LYS A 96 -11.178 5.643 9.891 1.00 75.14 H new ATOM 0 HE2 LYS A 96 -10.486 3.927 11.549 1.00 20.32 H new ATOM 0 HE3 LYS A 96 -8.866 3.906 10.881 1.00 20.32 H new ATOM 0 HZ1 LYS A 96 -8.987 5.279 12.840 1.00 11.43 H new ATOM 0 HZ2 LYS A 96 -8.615 6.230 11.484 1.00 11.43 H new ATOM 0 HZ3 LYS A 96 -10.185 6.251 12.131 1.00 11.43 H new ATOM 1642 N ASN A 97 -11.979 4.327 4.345 1.00 10.42 N ATOM 1643 CA ASN A 97 -12.696 4.895 3.196 1.00 75.11 C ATOM 1644 C ASN A 97 -11.773 5.046 1.972 1.00 61.01 C ATOM 1645 O ASN A 97 -12.027 5.903 1.124 1.00 22.13 O ATOM 1646 CB ASN A 97 -13.454 6.198 3.582 1.00 25.42 C ATOM 1647 CG ASN A 97 -12.576 7.312 4.168 1.00 61.20 C ATOM 1648 OD1 ASN A 97 -12.130 7.226 5.309 1.00 11.33 O ATOM 1649 ND2 ASN A 97 -12.341 8.374 3.394 1.00 5.41 N ATOM 0 H ASN A 97 -10.970 4.467 4.294 1.00 10.42 H new ATOM 0 HA ASN A 97 -13.469 4.189 2.892 1.00 75.11 H new ATOM 0 HB2 ASN A 97 -13.959 6.583 2.696 1.00 25.42 H new ATOM 0 HB3 ASN A 97 -14.229 5.948 4.307 1.00 25.42 H new ATOM 0 HD21 ASN A 97 -11.775 9.146 3.746 1.00 5.41 H new ATOM 0 HD22 ASN A 97 -12.727 8.413 2.451 1.00 5.41 H new ATOM 1656 N ILE A 98 -10.726 4.205 1.900 1.00 61.54 N ATOM 1657 CA ILE A 98 -9.763 4.192 0.808 1.00 2.05 C ATOM 1658 C ILE A 98 -9.621 2.735 0.334 1.00 35.23 C ATOM 1659 O ILE A 98 -8.934 1.948 0.989 1.00 55.31 O ATOM 1660 CB ILE A 98 -8.362 4.750 1.225 1.00 14.22 C ATOM 1661 CG1 ILE A 98 -8.478 6.139 1.900 1.00 63.21 C ATOM 1662 CG2 ILE A 98 -7.392 4.804 0.019 1.00 52.21 C ATOM 1663 CD1 ILE A 98 -7.143 6.766 2.329 1.00 5.42 C ATOM 0 H ILE A 98 -10.531 3.506 2.617 1.00 61.54 H new ATOM 0 HA ILE A 98 -10.129 4.843 0.014 1.00 2.05 H new ATOM 0 HB ILE A 98 -7.948 4.058 1.958 1.00 14.22 H new ATOM 0 HG12 ILE A 98 -8.977 6.820 1.211 1.00 63.21 H new ATOM 0 HG13 ILE A 98 -9.118 6.047 2.778 1.00 63.21 H new ATOM 0 HG21 ILE A 98 -6.428 5.196 0.344 1.00 52.21 H new ATOM 0 HG22 ILE A 98 -7.258 3.801 -0.385 1.00 52.21 H new ATOM 0 HG23 ILE A 98 -7.806 5.453 -0.752 1.00 52.21 H new ATOM 0 HD11 ILE A 98 -7.328 7.736 2.791 1.00 5.42 H new ATOM 0 HD12 ILE A 98 -6.647 6.111 3.046 1.00 5.42 H new ATOM 0 HD13 ILE A 98 -6.505 6.896 1.455 1.00 5.42 H new ATOM 1675 N LYS A 99 -10.260 2.404 -0.806 1.00 53.13 N ATOM 1676 CA LYS A 99 -10.010 1.154 -1.532 1.00 15.10 C ATOM 1677 C LYS A 99 -8.579 1.155 -2.074 1.00 10.35 C ATOM 1678 O LYS A 99 -8.151 2.171 -2.610 1.00 24.53 O ATOM 1679 CB LYS A 99 -11.009 0.950 -2.691 1.00 51.34 C ATOM 1680 CG LYS A 99 -12.454 0.653 -2.250 1.00 22.43 C ATOM 1681 CD LYS A 99 -13.229 -0.228 -3.249 1.00 32.12 C ATOM 1682 CE LYS A 99 -13.347 0.364 -4.663 1.00 42.11 C ATOM 1683 NZ LYS A 99 -14.069 -0.549 -5.566 1.00 33.01 N1+ ATOM 0 H LYS A 99 -10.963 2.999 -1.245 1.00 53.13 H new ATOM 0 HA LYS A 99 -10.145 0.329 -0.833 1.00 15.10 H new ATOM 0 HB2 LYS A 99 -11.010 1.845 -3.313 1.00 51.34 H new ATOM 0 HB3 LYS A 99 -10.658 0.128 -3.315 1.00 51.34 H new ATOM 0 HG2 LYS A 99 -12.435 0.158 -1.279 1.00 22.43 H new ATOM 0 HG3 LYS A 99 -12.987 1.595 -2.118 1.00 22.43 H new ATOM 0 HD2 LYS A 99 -12.738 -1.199 -3.315 1.00 32.12 H new ATOM 0 HD3 LYS A 99 -14.231 -0.404 -2.858 1.00 32.12 H new ATOM 0 HE2 LYS A 99 -13.868 1.321 -4.617 1.00 42.11 H new ATOM 0 HE3 LYS A 99 -12.352 0.561 -5.061 1.00 42.11 H new ATOM 0 HZ1 LYS A 99 -14.133 -0.123 -6.512 1.00 33.01 H new ATOM 0 HZ2 LYS A 99 -13.558 -1.453 -5.627 1.00 33.01 H new ATOM 0 HZ3 LYS A 99 -15.027 -0.717 -5.197 1.00 33.01 H new ATOM 1697 N SER A 100 -7.864 0.045 -1.868 1.00 21.55 N ATOM 1698 CA SER A 100 -6.430 -0.052 -2.107 1.00 50.10 C ATOM 1699 C SER A 100 -6.136 -1.439 -2.683 1.00 4.35 C ATOM 1700 O SER A 100 -6.253 -2.431 -1.968 1.00 70.42 O ATOM 1701 CB SER A 100 -5.689 0.210 -0.781 1.00 11.03 C ATOM 1702 OG SER A 100 -5.751 1.576 -0.439 1.00 24.44 O ATOM 0 H SER A 100 -8.277 -0.823 -1.525 1.00 21.55 H new ATOM 0 HA SER A 100 -6.085 0.691 -2.826 1.00 50.10 H new ATOM 0 HB2 SER A 100 -6.132 -0.390 0.014 1.00 11.03 H new ATOM 0 HB3 SER A 100 -4.648 -0.101 -0.872 1.00 11.03 H new ATOM 0 HG SER A 100 -6.051 1.667 0.489 1.00 24.44 H new ATOM 1708 N VAL A 101 -5.794 -1.476 -3.977 1.00 45.05 N ATOM 1709 CA VAL A 101 -5.532 -2.696 -4.731 1.00 23.22 C ATOM 1710 C VAL A 101 -4.067 -2.682 -5.196 1.00 63.20 C ATOM 1711 O VAL A 101 -3.601 -1.688 -5.751 1.00 62.11 O ATOM 1712 CB VAL A 101 -6.458 -2.808 -5.975 1.00 2.42 C ATOM 1713 CG1 VAL A 101 -6.192 -4.066 -6.833 1.00 0.50 C ATOM 1714 CG2 VAL A 101 -7.944 -2.772 -5.567 1.00 60.44 C ATOM 0 H VAL A 101 -5.691 -0.631 -4.539 1.00 45.05 H new ATOM 0 HA VAL A 101 -5.728 -3.551 -4.084 1.00 23.22 H new ATOM 0 HB VAL A 101 -6.221 -1.940 -6.591 1.00 2.42 H new ATOM 0 HG11 VAL A 101 -6.874 -4.078 -7.683 1.00 0.50 H new ATOM 0 HG12 VAL A 101 -5.163 -4.050 -7.194 1.00 0.50 H new ATOM 0 HG13 VAL A 101 -6.350 -4.959 -6.228 1.00 0.50 H new ATOM 0 HG21 VAL A 101 -8.568 -2.852 -6.457 1.00 60.44 H new ATOM 0 HG22 VAL A 101 -8.158 -3.605 -4.898 1.00 60.44 H new ATOM 0 HG23 VAL A 101 -8.159 -1.833 -5.057 1.00 60.44 H new ATOM 1724 N THR A 102 -3.386 -3.808 -4.959 1.00 1.42 N ATOM 1725 CA THR A 102 -2.008 -4.084 -5.357 1.00 32.21 C ATOM 1726 C THR A 102 -2.013 -5.211 -6.404 1.00 75.43 C ATOM 1727 O THR A 102 -2.909 -6.052 -6.376 1.00 20.23 O ATOM 1728 CB THR A 102 -1.202 -4.589 -4.129 1.00 51.52 C ATOM 1729 OG1 THR A 102 -1.253 -3.618 -3.101 1.00 54.43 O ATOM 1730 CG2 THR A 102 0.281 -4.924 -4.382 1.00 34.32 C ATOM 0 H THR A 102 -3.806 -4.591 -4.458 1.00 1.42 H new ATOM 0 HA THR A 102 -1.560 -3.174 -5.757 1.00 32.21 H new ATOM 0 HB THR A 102 -1.684 -5.529 -3.859 1.00 51.52 H new ATOM 0 HG1 THR A 102 -0.746 -3.936 -2.325 1.00 54.43 H new ATOM 0 HG21 THR A 102 0.740 -5.266 -3.454 1.00 34.32 H new ATOM 0 HG22 THR A 102 0.353 -5.710 -5.134 1.00 34.32 H new ATOM 0 HG23 THR A 102 0.800 -4.034 -4.737 1.00 34.32 H new ATOM 1738 N GLU A 103 -1.005 -5.213 -7.283 1.00 20.12 N ATOM 1739 CA GLU A 103 -0.752 -6.238 -8.292 1.00 73.42 C ATOM 1740 C GLU A 103 0.761 -6.489 -8.364 1.00 13.32 C ATOM 1741 O GLU A 103 1.539 -5.543 -8.265 1.00 20.43 O ATOM 1742 CB GLU A 103 -1.322 -5.768 -9.652 1.00 53.31 C ATOM 1743 CG GLU A 103 -1.072 -6.704 -10.852 1.00 32.21 C ATOM 1744 CD GLU A 103 -1.499 -6.060 -12.170 1.00 32.03 C ATOM 1745 OE1 GLU A 103 -0.617 -5.452 -12.815 1.00 65.33 O ATOM 1746 OE2 GLU A 103 -2.694 -6.183 -12.510 1.00 34.52 O1- ATOM 0 H GLU A 103 -0.313 -4.464 -7.308 1.00 20.12 H new ATOM 0 HA GLU A 103 -1.246 -7.174 -8.031 1.00 73.42 H new ATOM 0 HB2 GLU A 103 -2.398 -5.629 -9.544 1.00 53.31 H new ATOM 0 HB3 GLU A 103 -0.896 -4.792 -9.884 1.00 53.31 H new ATOM 0 HG2 GLU A 103 -0.014 -6.961 -10.899 1.00 32.21 H new ATOM 0 HG3 GLU A 103 -1.620 -7.635 -10.708 1.00 32.21 H new ATOM 1753 N LEU A 104 1.122 -7.755 -8.598 1.00 42.30 N ATOM 1754 CA LEU A 104 2.452 -8.231 -8.967 1.00 11.24 C ATOM 1755 C LEU A 104 2.322 -8.873 -10.355 1.00 73.12 C ATOM 1756 O LEU A 104 1.515 -9.786 -10.512 1.00 4.51 O ATOM 1757 CB LEU A 104 2.929 -9.236 -7.886 1.00 54.01 C ATOM 1758 CG LEU A 104 4.124 -10.153 -8.248 1.00 32.33 C ATOM 1759 CD1 LEU A 104 5.418 -9.367 -8.511 1.00 75.11 C ATOM 1760 CD2 LEU A 104 4.349 -11.220 -7.164 1.00 4.54 C ATOM 0 H LEU A 104 0.449 -8.519 -8.530 1.00 42.30 H new ATOM 0 HA LEU A 104 3.193 -7.434 -9.016 1.00 11.24 H new ATOM 0 HB2 LEU A 104 3.196 -8.670 -6.993 1.00 54.01 H new ATOM 0 HB3 LEU A 104 2.084 -9.871 -7.620 1.00 54.01 H new ATOM 0 HG LEU A 104 3.860 -10.651 -9.181 1.00 32.33 H new ATOM 0 HD11 LEU A 104 6.221 -10.061 -8.760 1.00 75.11 H new ATOM 0 HD12 LEU A 104 5.263 -8.678 -9.342 1.00 75.11 H new ATOM 0 HD13 LEU A 104 5.689 -8.803 -7.618 1.00 75.11 H new ATOM 0 HD21 LEU A 104 5.194 -11.850 -7.443 1.00 4.54 H new ATOM 0 HD22 LEU A 104 4.559 -10.733 -6.212 1.00 4.54 H new ATOM 0 HD23 LEU A 104 3.454 -11.835 -7.067 1.00 4.54 H new ATOM 1772 N ASN A 105 3.123 -8.401 -11.322 1.00 34.14 N ATOM 1773 CA ASN A 105 3.243 -8.930 -12.685 1.00 71.15 C ATOM 1774 C ASN A 105 4.744 -8.997 -13.006 1.00 24.52 C ATOM 1775 O ASN A 105 5.285 -8.070 -13.608 1.00 10.23 O ATOM 1776 CB ASN A 105 2.463 -8.016 -13.675 1.00 53.44 C ATOM 1777 CG ASN A 105 1.017 -8.434 -13.988 1.00 71.14 C ATOM 1778 OD1 ASN A 105 0.577 -8.293 -15.125 1.00 72.43 O ATOM 1779 ND2 ASN A 105 0.265 -8.947 -13.015 1.00 74.43 N ATOM 0 H ASN A 105 3.734 -7.600 -11.165 1.00 34.14 H new ATOM 0 HA ASN A 105 2.809 -9.926 -12.778 1.00 71.15 H new ATOM 0 HB2 ASN A 105 2.447 -7.005 -13.268 1.00 53.44 H new ATOM 0 HB3 ASN A 105 3.018 -7.974 -14.612 1.00 53.44 H new ATOM 0 HD21 ASN A 105 -0.695 -9.231 -13.209 1.00 74.43 H new ATOM 0 HD22 ASN A 105 0.650 -9.056 -12.077 1.00 74.43 H new ATOM 1786 N GLY A 106 5.386 -10.108 -12.604 1.00 41.51 N ATOM 1787 CA GLY A 106 6.796 -10.383 -12.887 1.00 24.53 C ATOM 1788 C GLY A 106 7.684 -9.505 -11.998 1.00 44.41 C ATOM 1789 O GLY A 106 7.804 -9.767 -10.801 1.00 71.31 O ATOM 0 H GLY A 106 4.930 -10.846 -12.067 1.00 41.51 H new ATOM 0 HA2 GLY A 106 7.014 -11.436 -12.708 1.00 24.53 H new ATOM 0 HA3 GLY A 106 7.011 -10.187 -13.938 1.00 24.53 H new ATOM 1793 N ASP A 107 8.310 -8.482 -12.601 1.00 35.04 N ATOM 1794 CA ASP A 107 9.063 -7.432 -11.907 1.00 74.01 C ATOM 1795 C ASP A 107 8.206 -6.180 -11.626 1.00 4.24 C ATOM 1796 O ASP A 107 8.574 -5.405 -10.747 1.00 62.20 O ATOM 1797 CB ASP A 107 10.387 -7.029 -12.618 1.00 2.23 C ATOM 1798 CG ASP A 107 10.368 -6.908 -14.146 1.00 32.02 C ATOM 1799 OD1 ASP A 107 9.271 -6.740 -14.722 1.00 52.24 O ATOM 1800 OD2 ASP A 107 11.485 -6.888 -14.709 1.00 30.24 O1- ATOM 0 H ASP A 107 8.304 -8.362 -13.614 1.00 35.04 H new ATOM 0 HA ASP A 107 9.340 -7.883 -10.954 1.00 74.01 H new ATOM 0 HB2 ASP A 107 10.708 -6.071 -12.210 1.00 2.23 H new ATOM 0 HB3 ASP A 107 11.148 -7.761 -12.349 1.00 2.23 H new ATOM 1805 N ILE A 108 7.099 -5.994 -12.365 1.00 2.50 N ATOM 1806 CA ILE A 108 6.233 -4.820 -12.268 1.00 64.11 C ATOM 1807 C ILE A 108 5.285 -4.947 -11.062 1.00 2.11 C ATOM 1808 O ILE A 108 4.682 -6.004 -10.871 1.00 22.32 O ATOM 1809 CB ILE A 108 5.363 -4.639 -13.551 1.00 55.52 C ATOM 1810 CG1 ILE A 108 6.195 -4.703 -14.854 1.00 22.44 C ATOM 1811 CG2 ILE A 108 4.500 -3.357 -13.525 1.00 22.33 C ATOM 1812 CD1 ILE A 108 7.383 -3.728 -14.920 1.00 60.45 C ATOM 0 H ILE A 108 6.780 -6.672 -13.058 1.00 2.50 H new ATOM 0 HA ILE A 108 6.886 -3.955 -12.150 1.00 64.11 H new ATOM 0 HB ILE A 108 4.683 -5.491 -13.547 1.00 55.52 H new ATOM 0 HG12 ILE A 108 6.572 -5.719 -14.976 1.00 22.44 H new ATOM 0 HG13 ILE A 108 5.535 -4.504 -15.698 1.00 22.44 H new ATOM 0 HG21 ILE A 108 3.919 -3.290 -14.445 1.00 22.33 H new ATOM 0 HG22 ILE A 108 3.824 -3.391 -12.671 1.00 22.33 H new ATOM 0 HG23 ILE A 108 5.147 -2.484 -13.441 1.00 22.33 H new ATOM 0 HD11 ILE A 108 7.902 -3.850 -15.871 1.00 60.45 H new ATOM 0 HD12 ILE A 108 7.019 -2.704 -14.834 1.00 60.45 H new ATOM 0 HD13 ILE A 108 8.072 -3.938 -14.102 1.00 60.45 H new ATOM 1824 N ILE A 109 5.158 -3.853 -10.297 1.00 40.12 N ATOM 1825 CA ILE A 109 4.215 -3.708 -9.195 1.00 22.33 C ATOM 1826 C ILE A 109 3.286 -2.531 -9.527 1.00 1.23 C ATOM 1827 O ILE A 109 3.637 -1.376 -9.279 1.00 51.11 O ATOM 1828 CB ILE A 109 4.927 -3.458 -7.832 1.00 71.12 C ATOM 1829 CG1 ILE A 109 5.868 -4.611 -7.443 1.00 33.11 C ATOM 1830 CG2 ILE A 109 3.977 -3.122 -6.656 1.00 12.12 C ATOM 1831 CD1 ILE A 109 5.197 -5.982 -7.292 1.00 34.14 C ATOM 0 H ILE A 109 5.731 -3.021 -10.439 1.00 40.12 H new ATOM 0 HA ILE A 109 3.655 -4.637 -9.086 1.00 22.33 H new ATOM 0 HB ILE A 109 5.521 -2.561 -8.010 1.00 71.12 H new ATOM 0 HG12 ILE A 109 6.651 -4.689 -8.197 1.00 33.11 H new ATOM 0 HG13 ILE A 109 6.356 -4.358 -6.502 1.00 33.11 H new ATOM 0 HG21 ILE A 109 4.562 -2.964 -5.750 1.00 12.12 H new ATOM 0 HG22 ILE A 109 3.416 -2.217 -6.888 1.00 12.12 H new ATOM 0 HG23 ILE A 109 3.283 -3.948 -6.501 1.00 12.12 H new ATOM 0 HD11 ILE A 109 5.945 -6.725 -7.017 1.00 34.14 H new ATOM 0 HD12 ILE A 109 4.434 -5.930 -6.515 1.00 34.14 H new ATOM 0 HD13 ILE A 109 4.734 -6.266 -8.237 1.00 34.14 H new ATOM 1843 N THR A 110 2.124 -2.856 -10.110 1.00 33.21 N ATOM 1844 CA THR A 110 1.067 -1.897 -10.410 1.00 2.23 C ATOM 1845 C THR A 110 0.171 -1.740 -9.169 1.00 12.04 C ATOM 1846 O THR A 110 -0.289 -2.743 -8.627 1.00 75.51 O ATOM 1847 CB THR A 110 0.186 -2.377 -11.594 1.00 74.14 C ATOM 1848 OG1 THR A 110 1.002 -2.728 -12.695 1.00 72.01 O ATOM 1849 CG2 THR A 110 -0.837 -1.337 -12.082 1.00 2.10 C ATOM 0 H THR A 110 1.894 -3.810 -10.389 1.00 33.21 H new ATOM 0 HA THR A 110 1.533 -0.950 -10.683 1.00 2.23 H new ATOM 0 HB THR A 110 -0.370 -3.232 -11.208 1.00 74.14 H new ATOM 0 HG1 THR A 110 0.758 -3.623 -13.011 1.00 72.01 H new ATOM 0 HG21 THR A 110 -1.411 -1.752 -12.910 1.00 2.10 H new ATOM 0 HG22 THR A 110 -1.512 -1.080 -11.266 1.00 2.10 H new ATOM 0 HG23 THR A 110 -0.314 -0.441 -12.416 1.00 2.10 H new ATOM 1857 N ASN A 111 -0.046 -0.501 -8.720 1.00 1.30 N ATOM 1858 CA ASN A 111 -0.866 -0.198 -7.549 1.00 43.31 C ATOM 1859 C ASN A 111 -1.922 0.839 -7.943 1.00 23.34 C ATOM 1860 O ASN A 111 -1.614 1.754 -8.705 1.00 30.24 O ATOM 1861 CB ASN A 111 0.025 0.334 -6.402 1.00 72.52 C ATOM 1862 CG ASN A 111 -0.479 -0.098 -5.023 1.00 11.42 C ATOM 1863 OD1 ASN A 111 -1.356 0.546 -4.450 1.00 15.41 O ATOM 1864 ND2 ASN A 111 0.071 -1.190 -4.488 1.00 44.55 N ATOM 0 H ASN A 111 0.348 0.328 -9.166 1.00 1.30 H new ATOM 0 HA ASN A 111 -1.363 -1.102 -7.197 1.00 43.31 H new ATOM 0 HB2 ASN A 111 1.045 -0.024 -6.542 1.00 72.52 H new ATOM 0 HB3 ASN A 111 0.061 1.422 -6.448 1.00 72.52 H new ATOM 0 HD21 ASN A 111 -0.234 -1.518 -3.572 1.00 44.55 H new ATOM 0 HD22 ASN A 111 0.796 -1.697 -4.996 1.00 44.55 H new ATOM 1871 N THR A 112 -3.139 0.674 -7.407 1.00 70.33 N ATOM 1872 CA THR A 112 -4.271 1.567 -7.626 1.00 53.43 C ATOM 1873 C THR A 112 -5.041 1.719 -6.307 1.00 64.33 C ATOM 1874 O THR A 112 -5.544 0.730 -5.776 1.00 23.24 O ATOM 1875 CB THR A 112 -5.248 1.019 -8.701 1.00 52.13 C ATOM 1876 OG1 THR A 112 -4.584 0.940 -9.947 1.00 1.20 O ATOM 1877 CG2 THR A 112 -6.522 1.863 -8.908 1.00 71.42 C ATOM 0 H THR A 112 -3.363 -0.109 -6.792 1.00 70.33 H new ATOM 0 HA THR A 112 -3.880 2.522 -7.976 1.00 53.43 H new ATOM 0 HB THR A 112 -5.563 0.044 -8.328 1.00 52.13 H new ATOM 0 HG1 THR A 112 -5.201 0.593 -10.625 1.00 1.20 H new ATOM 0 HG21 THR A 112 -7.142 1.403 -9.677 1.00 71.42 H new ATOM 0 HG22 THR A 112 -7.081 1.914 -7.973 1.00 71.42 H new ATOM 0 HG23 THR A 112 -6.245 2.870 -9.220 1.00 71.42 H new ATOM 1885 N MET A 113 -5.138 2.966 -5.832 1.00 51.12 N ATOM 1886 CA MET A 113 -5.918 3.373 -4.670 1.00 1.03 C ATOM 1887 C MET A 113 -7.027 4.339 -5.116 1.00 4.14 C ATOM 1888 O MET A 113 -6.894 4.979 -6.158 1.00 24.23 O ATOM 1889 CB MET A 113 -4.986 4.033 -3.632 1.00 21.14 C ATOM 1890 CG MET A 113 -3.891 3.096 -3.086 1.00 14.13 C ATOM 1891 SD MET A 113 -2.648 3.869 -2.012 1.00 42.25 S ATOM 1892 CE MET A 113 -3.671 4.542 -0.676 1.00 63.21 C ATOM 0 H MET A 113 -4.652 3.749 -6.270 1.00 51.12 H new ATOM 0 HA MET A 113 -6.385 2.504 -4.206 1.00 1.03 H new ATOM 0 HB2 MET A 113 -4.512 4.903 -4.086 1.00 21.14 H new ATOM 0 HB3 MET A 113 -5.587 4.397 -2.799 1.00 21.14 H new ATOM 0 HG2 MET A 113 -4.373 2.291 -2.531 1.00 14.13 H new ATOM 0 HG3 MET A 113 -3.378 2.637 -3.931 1.00 14.13 H new ATOM 0 HE1 MET A 113 -3.029 4.965 0.096 1.00 63.21 H new ATOM 0 HE2 MET A 113 -4.322 5.321 -1.073 1.00 63.21 H new ATOM 0 HE3 MET A 113 -4.278 3.745 -0.246 1.00 63.21 H new ATOM 1902 N THR A 114 -8.106 4.431 -4.325 1.00 31.21 N ATOM 1903 CA THR A 114 -9.230 5.334 -4.566 1.00 32.02 C ATOM 1904 C THR A 114 -9.760 5.863 -3.227 1.00 0.44 C ATOM 1905 O THR A 114 -10.301 5.086 -2.442 1.00 11.44 O ATOM 1906 CB THR A 114 -10.398 4.648 -5.332 1.00 42.22 C ATOM 1907 OG1 THR A 114 -9.955 4.249 -6.613 1.00 43.55 O ATOM 1908 CG2 THR A 114 -11.648 5.529 -5.533 1.00 33.33 C ATOM 0 H THR A 114 -8.219 3.866 -3.483 1.00 31.21 H new ATOM 0 HA THR A 114 -8.857 6.148 -5.188 1.00 32.02 H new ATOM 0 HB THR A 114 -10.691 3.807 -4.704 1.00 42.22 H new ATOM 0 HG1 THR A 114 -10.691 3.816 -7.093 1.00 43.55 H new ATOM 0 HG21 THR A 114 -12.407 4.965 -6.076 1.00 33.33 H new ATOM 0 HG22 THR A 114 -12.043 5.827 -4.562 1.00 33.33 H new ATOM 0 HG23 THR A 114 -11.379 6.418 -6.104 1.00 33.33 H new ATOM 1916 N LEU A 115 -9.607 7.181 -3.023 1.00 10.34 N ATOM 1917 CA LEU A 115 -10.099 7.946 -1.881 1.00 5.52 C ATOM 1918 C LEU A 115 -11.076 8.992 -2.425 1.00 24.12 C ATOM 1919 O LEU A 115 -10.640 9.969 -3.033 1.00 22.44 O ATOM 1920 CB LEU A 115 -8.880 8.566 -1.148 1.00 61.42 C ATOM 1921 CG LEU A 115 -9.127 9.621 -0.032 1.00 64.31 C ATOM 1922 CD1 LEU A 115 -9.137 11.078 -0.549 1.00 24.21 C ATOM 1923 CD2 LEU A 115 -10.311 9.313 0.910 1.00 4.21 C ATOM 0 H LEU A 115 -9.108 7.768 -3.691 1.00 10.34 H new ATOM 0 HA LEU A 115 -10.630 7.334 -1.152 1.00 5.52 H new ATOM 0 HB2 LEU A 115 -8.310 7.748 -0.707 1.00 61.42 H new ATOM 0 HB3 LEU A 115 -8.243 9.028 -1.902 1.00 61.42 H new ATOM 0 HG LEU A 115 -8.245 9.528 0.602 1.00 64.31 H new ATOM 0 HD11 LEU A 115 -9.315 11.758 0.284 1.00 24.21 H new ATOM 0 HD12 LEU A 115 -8.175 11.308 -1.007 1.00 24.21 H new ATOM 0 HD13 LEU A 115 -9.929 11.196 -1.289 1.00 24.21 H new ATOM 0 HD21 LEU A 115 -10.401 10.106 1.652 1.00 4.21 H new ATOM 0 HD22 LEU A 115 -11.232 9.253 0.330 1.00 4.21 H new ATOM 0 HD23 LEU A 115 -10.137 8.362 1.414 1.00 4.21 H new ATOM 1935 N GLY A 116 -12.384 8.753 -2.221 1.00 61.13 N ATOM 1936 CA GLY A 116 -13.463 9.608 -2.720 1.00 30.35 C ATOM 1937 C GLY A 116 -13.446 9.654 -4.255 1.00 51.00 C ATOM 1938 O GLY A 116 -13.414 8.612 -4.910 1.00 22.24 O ATOM 0 H GLY A 116 -12.721 7.946 -1.696 1.00 61.13 H new ATOM 0 HA2 GLY A 116 -14.425 9.231 -2.372 1.00 30.35 H new ATOM 0 HA3 GLY A 116 -13.352 10.615 -2.319 1.00 30.35 H new ATOM 1942 N ASP A 117 -13.464 10.878 -4.809 1.00 63.23 N ATOM 1943 CA ASP A 117 -13.381 11.173 -6.246 1.00 14.31 C ATOM 1944 C ASP A 117 -11.970 10.974 -6.853 1.00 43.04 C ATOM 1945 O ASP A 117 -11.853 10.972 -8.078 1.00 1.34 O ATOM 1946 CB ASP A 117 -13.891 12.601 -6.575 1.00 3.04 C ATOM 1947 CG ASP A 117 -13.350 13.708 -5.661 1.00 74.25 C ATOM 1948 OD1 ASP A 117 -12.349 14.338 -6.066 1.00 74.43 O ATOM 1949 OD2 ASP A 117 -13.947 13.901 -4.579 1.00 23.23 O1- ATOM 0 H ASP A 117 -13.540 11.723 -4.243 1.00 63.23 H new ATOM 0 HA ASP A 117 -14.036 10.437 -6.712 1.00 14.31 H new ATOM 0 HB2 ASP A 117 -13.624 12.838 -7.605 1.00 3.04 H new ATOM 0 HB3 ASP A 117 -14.980 12.604 -6.519 1.00 3.04 H new ATOM 1954 N ILE A 118 -10.932 10.843 -6.009 1.00 4.54 N ATOM 1955 CA ILE A 118 -9.523 10.833 -6.410 1.00 44.24 C ATOM 1956 C ILE A 118 -9.031 9.378 -6.520 1.00 5.21 C ATOM 1957 O ILE A 118 -9.281 8.597 -5.605 1.00 5.44 O ATOM 1958 CB ILE A 118 -8.634 11.562 -5.355 1.00 22.24 C ATOM 1959 CG1 ILE A 118 -9.188 12.967 -5.017 1.00 24.45 C ATOM 1960 CG2 ILE A 118 -7.153 11.659 -5.795 1.00 14.20 C ATOM 1961 CD1 ILE A 118 -8.479 13.651 -3.845 1.00 24.45 C ATOM 0 H ILE A 118 -11.058 10.739 -5.002 1.00 4.54 H new ATOM 0 HA ILE A 118 -9.444 11.347 -7.368 1.00 44.24 H new ATOM 0 HB ILE A 118 -8.669 10.950 -4.453 1.00 22.24 H new ATOM 0 HG12 ILE A 118 -9.104 13.601 -5.899 1.00 24.45 H new ATOM 0 HG13 ILE A 118 -10.250 12.882 -4.786 1.00 24.45 H new ATOM 0 HG21 ILE A 118 -6.578 12.175 -5.026 1.00 14.20 H new ATOM 0 HG22 ILE A 118 -6.750 10.657 -5.939 1.00 14.20 H new ATOM 0 HG23 ILE A 118 -7.087 12.214 -6.731 1.00 14.20 H new ATOM 0 HD11 ILE A 118 -8.925 14.630 -3.671 1.00 24.45 H new ATOM 0 HD12 ILE A 118 -8.585 13.040 -2.949 1.00 24.45 H new ATOM 0 HD13 ILE A 118 -7.421 13.771 -4.079 1.00 24.45 H new ATOM 1973 N VAL A 119 -8.340 9.054 -7.628 1.00 72.05 N ATOM 1974 CA VAL A 119 -7.880 7.697 -7.940 1.00 54.42 C ATOM 1975 C VAL A 119 -6.351 7.708 -8.150 1.00 43.45 C ATOM 1976 O VAL A 119 -5.876 7.840 -9.280 1.00 32.12 O ATOM 1977 CB VAL A 119 -8.604 7.123 -9.198 1.00 54.43 C ATOM 1978 CG1 VAL A 119 -8.167 5.684 -9.555 1.00 63.22 C ATOM 1979 CG2 VAL A 119 -10.136 7.147 -9.036 1.00 54.54 C ATOM 0 H VAL A 119 -8.084 9.740 -8.339 1.00 72.05 H new ATOM 0 HA VAL A 119 -8.125 7.047 -7.100 1.00 54.42 H new ATOM 0 HB VAL A 119 -8.306 7.781 -10.015 1.00 54.43 H new ATOM 0 HG11 VAL A 119 -8.709 5.348 -10.439 1.00 63.22 H new ATOM 0 HG12 VAL A 119 -7.096 5.669 -9.759 1.00 63.22 H new ATOM 0 HG13 VAL A 119 -8.387 5.019 -8.720 1.00 63.22 H new ATOM 0 HG21 VAL A 119 -10.603 6.739 -9.933 1.00 54.54 H new ATOM 0 HG22 VAL A 119 -10.420 6.545 -8.173 1.00 54.54 H new ATOM 0 HG23 VAL A 119 -10.470 8.174 -8.888 1.00 54.54 H new ATOM 1989 N PHE A 120 -5.604 7.588 -7.039 1.00 2.03 N ATOM 1990 CA PHE A 120 -4.142 7.500 -7.013 1.00 51.53 C ATOM 1991 C PHE A 120 -3.606 6.185 -7.611 1.00 21.53 C ATOM 1992 O PHE A 120 -4.178 5.132 -7.346 1.00 55.54 O ATOM 1993 CB PHE A 120 -3.648 7.746 -5.571 1.00 62.43 C ATOM 1994 CG PHE A 120 -2.151 7.605 -5.352 1.00 13.04 C ATOM 1995 CD1 PHE A 120 -1.625 6.540 -4.591 1.00 51.13 C ATOM 1996 CD2 PHE A 120 -1.263 8.491 -5.994 1.00 1.44 C ATOM 1997 CE1 PHE A 120 -0.251 6.406 -4.443 1.00 44.00 C ATOM 1998 CE2 PHE A 120 0.106 8.326 -5.855 1.00 45.44 C ATOM 1999 CZ PHE A 120 0.610 7.299 -5.070 1.00 63.23 C ATOM 0 H PHE A 120 -6.018 7.549 -6.108 1.00 2.03 H new ATOM 0 HA PHE A 120 -3.737 8.278 -7.661 1.00 51.53 H new ATOM 0 HB2 PHE A 120 -3.947 8.750 -5.271 1.00 62.43 H new ATOM 0 HB3 PHE A 120 -4.160 7.049 -4.908 1.00 62.43 H new ATOM 0 HD1 PHE A 120 -2.291 5.829 -4.124 1.00 51.13 H new ATOM 0 HD2 PHE A 120 -1.650 9.300 -6.596 1.00 1.44 H new ATOM 0 HE1 PHE A 120 0.150 5.606 -3.839 1.00 44.00 H new ATOM 0 HE2 PHE A 120 0.783 8.999 -6.360 1.00 45.44 H new ATOM 0 HZ PHE A 120 1.678 7.193 -4.945 1.00 63.23 H new ATOM 2009 N LYS A 121 -2.509 6.268 -8.379 1.00 14.14 N ATOM 2010 CA LYS A 121 -1.783 5.119 -8.917 1.00 24.41 C ATOM 2011 C LYS A 121 -0.275 5.243 -8.650 1.00 1.12 C ATOM 2012 O LYS A 121 0.257 6.353 -8.608 1.00 5.40 O ATOM 2013 CB LYS A 121 -2.045 4.962 -10.437 1.00 61.44 C ATOM 2014 CG LYS A 121 -3.239 4.066 -10.822 1.00 13.52 C ATOM 2015 CD LYS A 121 -4.618 4.743 -10.897 1.00 1.43 C ATOM 2016 CE LYS A 121 -4.809 5.733 -12.057 1.00 11.33 C ATOM 2017 NZ LYS A 121 -4.548 5.113 -13.369 1.00 31.52 N1+ ATOM 0 H LYS A 121 -2.096 7.161 -8.647 1.00 14.14 H new ATOM 0 HA LYS A 121 -2.150 4.229 -8.407 1.00 24.41 H new ATOM 0 HB2 LYS A 121 -2.206 5.952 -10.863 1.00 61.44 H new ATOM 0 HB3 LYS A 121 -1.146 4.557 -10.902 1.00 61.44 H new ATOM 0 HG2 LYS A 121 -3.028 3.617 -11.792 1.00 13.52 H new ATOM 0 HG3 LYS A 121 -3.299 3.251 -10.100 1.00 13.52 H new ATOM 0 HD2 LYS A 121 -5.380 3.967 -10.976 1.00 1.43 H new ATOM 0 HD3 LYS A 121 -4.795 5.270 -9.960 1.00 1.43 H new ATOM 0 HE2 LYS A 121 -5.827 6.121 -12.037 1.00 11.33 H new ATOM 0 HE3 LYS A 121 -4.141 6.583 -11.920 1.00 11.33 H new ATOM 0 HZ1 LYS A 121 -5.170 5.540 -14.085 1.00 31.52 H new ATOM 0 HZ2 LYS A 121 -3.555 5.270 -13.636 1.00 31.52 H new ATOM 0 HZ3 LYS A 121 -4.734 4.091 -13.313 1.00 31.52 H new ATOM 2031 N ARG A 122 0.377 4.074 -8.561 1.00 54.11 N ATOM 2032 CA ARG A 122 1.821 3.892 -8.690 1.00 51.51 C ATOM 2033 C ARG A 122 2.085 2.758 -9.685 1.00 51.43 C ATOM 2034 O ARG A 122 1.314 1.803 -9.763 1.00 64.24 O ATOM 2035 CB ARG A 122 2.471 3.502 -7.344 1.00 71.25 C ATOM 2036 CG ARG A 122 2.521 4.615 -6.288 1.00 23.43 C ATOM 2037 CD ARG A 122 3.034 4.133 -4.920 1.00 72.20 C ATOM 2038 NE ARG A 122 4.329 3.436 -5.016 1.00 11.34 N ATOM 2039 CZ ARG A 122 5.015 2.895 -3.992 1.00 52.00 C ATOM 2040 NH1 ARG A 122 4.570 2.983 -2.731 1.00 71.04 N1+ ATOM 2041 NH2 ARG A 122 6.159 2.241 -4.232 1.00 41.43 N ATOM 0 H ARG A 122 -0.113 3.196 -8.390 1.00 54.11 H new ATOM 0 HA ARG A 122 2.250 4.836 -9.027 1.00 51.51 H new ATOM 0 HB2 ARG A 122 1.925 2.655 -6.929 1.00 71.25 H new ATOM 0 HB3 ARG A 122 3.488 3.162 -7.537 1.00 71.25 H new ATOM 0 HG2 ARG A 122 3.164 5.418 -6.647 1.00 23.43 H new ATOM 0 HG3 ARG A 122 1.523 5.036 -6.166 1.00 23.43 H new ATOM 0 HD2 ARG A 122 3.134 4.988 -4.251 1.00 72.20 H new ATOM 0 HD3 ARG A 122 2.297 3.464 -4.474 1.00 72.20 H new ATOM 0 HE ARG A 122 4.744 3.356 -5.944 1.00 11.34 H new ATOM 0 HH11 ARG A 122 3.695 3.468 -2.532 1.00 71.04 H new ATOM 0 HH12 ARG A 122 5.106 2.565 -1.971 1.00 71.04 H new ATOM 0 HH21 ARG A 122 6.506 2.155 -5.187 1.00 41.43 H new ATOM 0 HH22 ARG A 122 6.683 1.829 -3.460 1.00 41.43 H new ATOM 2055 N ILE A 123 3.237 2.853 -10.355 1.00 23.42 N ATOM 2056 CA ILE A 123 3.898 1.747 -11.032 1.00 74.43 C ATOM 2057 C ILE A 123 5.339 1.751 -10.500 1.00 3.34 C ATOM 2058 O ILE A 123 6.014 2.777 -10.576 1.00 11.31 O ATOM 2059 CB ILE A 123 3.929 1.895 -12.584 1.00 53.55 C ATOM 2060 CG1 ILE A 123 2.508 2.016 -13.189 1.00 33.41 C ATOM 2061 CG2 ILE A 123 4.656 0.703 -13.249 1.00 70.43 C ATOM 2062 CD1 ILE A 123 1.913 3.435 -13.158 1.00 23.05 C ATOM 0 H ILE A 123 3.747 3.732 -10.441 1.00 23.42 H new ATOM 0 HA ILE A 123 3.355 0.823 -10.834 1.00 74.43 H new ATOM 0 HB ILE A 123 4.475 2.816 -12.788 1.00 53.55 H new ATOM 0 HG12 ILE A 123 2.538 1.672 -14.223 1.00 33.41 H new ATOM 0 HG13 ILE A 123 1.840 1.345 -12.649 1.00 33.41 H new ATOM 0 HG21 ILE A 123 4.660 0.837 -14.331 1.00 70.43 H new ATOM 0 HG22 ILE A 123 5.682 0.654 -12.886 1.00 70.43 H new ATOM 0 HG23 ILE A 123 4.139 -0.223 -13.000 1.00 70.43 H new ATOM 0 HD11 ILE A 123 0.918 3.422 -13.602 1.00 23.05 H new ATOM 0 HD12 ILE A 123 1.845 3.779 -12.126 1.00 23.05 H new ATOM 0 HD13 ILE A 123 2.554 4.111 -13.724 1.00 23.05 H new ATOM 2074 N SER A 124 5.766 0.606 -9.955 1.00 71.20 N ATOM 2075 CA SER A 124 7.114 0.360 -9.445 1.00 14.32 C ATOM 2076 C SER A 124 7.697 -0.858 -10.185 1.00 44.33 C ATOM 2077 O SER A 124 6.931 -1.664 -10.714 1.00 2.24 O ATOM 2078 CB SER A 124 7.018 0.116 -7.922 1.00 41.23 C ATOM 2079 OG SER A 124 6.626 1.292 -7.244 1.00 61.04 O ATOM 0 H SER A 124 5.155 -0.205 -9.855 1.00 71.20 H new ATOM 0 HA SER A 124 7.774 1.211 -9.615 1.00 14.32 H new ATOM 0 HB2 SER A 124 6.300 -0.680 -7.722 1.00 41.23 H new ATOM 0 HB3 SER A 124 7.982 -0.222 -7.543 1.00 41.23 H new ATOM 0 HG SER A 124 5.785 1.130 -6.768 1.00 61.04 H new ATOM 2085 N LYS A 125 9.034 -0.977 -10.223 1.00 51.44 N ATOM 2086 CA LYS A 125 9.738 -2.083 -10.882 1.00 72.03 C ATOM 2087 C LYS A 125 10.855 -2.620 -9.980 1.00 64.24 C ATOM 2088 O LYS A 125 11.538 -1.835 -9.324 1.00 21.30 O ATOM 2089 CB LYS A 125 10.272 -1.631 -12.258 1.00 73.22 C ATOM 2090 CG LYS A 125 10.912 -2.777 -13.065 1.00 42.33 C ATOM 2091 CD LYS A 125 11.387 -2.366 -14.463 1.00 22.14 C ATOM 2092 CE LYS A 125 11.873 -3.584 -15.261 1.00 53.41 C ATOM 2093 NZ LYS A 125 12.490 -3.191 -16.539 1.00 45.34 N1+ ATOM 0 H LYS A 125 9.662 -0.299 -9.791 1.00 51.44 H new ATOM 0 HA LYS A 125 9.039 -2.901 -11.054 1.00 72.03 H new ATOM 0 HB2 LYS A 125 9.453 -1.201 -12.835 1.00 73.22 H new ATOM 0 HB3 LYS A 125 11.009 -0.841 -12.113 1.00 73.22 H new ATOM 0 HG2 LYS A 125 11.760 -3.172 -12.506 1.00 42.33 H new ATOM 0 HG3 LYS A 125 10.189 -3.587 -13.162 1.00 42.33 H new ATOM 0 HD2 LYS A 125 10.573 -1.878 -14.998 1.00 22.14 H new ATOM 0 HD3 LYS A 125 12.194 -1.638 -14.377 1.00 22.14 H new ATOM 0 HE2 LYS A 125 12.595 -4.144 -14.666 1.00 53.41 H new ATOM 0 HE3 LYS A 125 11.033 -4.251 -15.453 1.00 53.41 H new ATOM 0 HZ1 LYS A 125 12.805 -4.041 -17.048 1.00 45.34 H new ATOM 0 HZ2 LYS A 125 11.794 -2.679 -17.118 1.00 45.34 H new ATOM 0 HZ3 LYS A 125 13.307 -2.575 -16.355 1.00 45.34 H new ATOM 2107 N ARG A 126 11.032 -3.953 -10.002 1.00 3.51 N ATOM 2108 CA ARG A 126 11.995 -4.721 -9.210 1.00 31.02 C ATOM 2109 C ARG A 126 13.453 -4.335 -9.514 1.00 63.35 C ATOM 2110 O ARG A 126 13.798 -4.133 -10.677 1.00 31.35 O ATOM 2111 CB ARG A 126 11.718 -6.226 -9.418 1.00 1.25 C ATOM 2112 CG ARG A 126 12.371 -7.169 -8.392 1.00 25.20 C ATOM 2113 CD ARG A 126 11.683 -8.545 -8.299 1.00 61.54 C ATOM 2114 NE ARG A 126 11.632 -9.243 -9.593 1.00 13.10 N ATOM 2115 CZ ARG A 126 12.566 -10.066 -10.101 1.00 1.14 C ATOM 2116 NH1 ARG A 126 13.682 -10.371 -9.422 1.00 52.44 N1+ ATOM 2117 NH2 ARG A 126 12.373 -10.595 -11.317 1.00 75.52 N ATOM 0 H ARG A 126 10.473 -4.552 -10.609 1.00 3.51 H new ATOM 0 HA ARG A 126 11.861 -4.480 -8.155 1.00 31.02 H new ATOM 0 HB2 ARG A 126 10.640 -6.385 -9.397 1.00 1.25 H new ATOM 0 HB3 ARG A 126 12.062 -6.507 -10.413 1.00 1.25 H new ATOM 0 HG2 ARG A 126 13.419 -7.312 -8.657 1.00 25.20 H new ATOM 0 HG3 ARG A 126 12.352 -6.695 -7.411 1.00 25.20 H new ATOM 0 HD2 ARG A 126 12.215 -9.165 -7.577 1.00 61.54 H new ATOM 0 HD3 ARG A 126 10.669 -8.415 -7.921 1.00 61.54 H new ATOM 0 HE ARG A 126 10.802 -9.086 -10.164 1.00 13.10 H new ATOM 0 HH11 ARG A 126 13.839 -9.975 -8.495 1.00 52.44 H new ATOM 0 HH12 ARG A 126 14.373 -10.999 -9.833 1.00 52.44 H new ATOM 0 HH21 ARG A 126 11.528 -10.371 -11.842 1.00 75.52 H new ATOM 0 HH22 ARG A 126 13.071 -11.221 -11.717 1.00 75.52 H new ATOM 2131 N ILE A 127 14.273 -4.232 -8.451 1.00 3.34 N ATOM 2132 CA ILE A 127 15.692 -3.837 -8.509 1.00 44.01 C ATOM 2133 C ILE A 127 16.534 -5.110 -8.574 1.00 43.14 C ATOM 2134 O ILE A 127 16.107 -6.252 -8.386 1.00 12.22 O ATOM 2135 CB ILE A 127 16.137 -2.918 -7.320 1.00 74.44 C ATOM 2136 CG1 ILE A 127 15.071 -1.874 -6.907 1.00 63.15 C ATOM 2137 CG2 ILE A 127 17.478 -2.216 -7.646 1.00 51.55 C ATOM 2138 CD1 ILE A 127 15.452 -0.989 -5.711 1.00 14.32 C ATOM 0 H ILE A 127 13.957 -4.427 -7.501 1.00 3.34 H new ATOM 0 HA ILE A 127 15.843 -3.229 -9.401 1.00 44.01 H new ATOM 0 HB ILE A 127 16.267 -3.579 -6.463 1.00 74.44 H new ATOM 0 HG12 ILE A 127 14.864 -1.231 -7.763 1.00 63.15 H new ATOM 0 HG13 ILE A 127 14.145 -2.398 -6.671 1.00 63.15 H new ATOM 0 HG21 ILE A 127 17.770 -1.583 -6.808 1.00 51.55 H new ATOM 0 HG22 ILE A 127 18.249 -2.967 -7.819 1.00 51.55 H new ATOM 0 HG23 ILE A 127 17.360 -1.604 -8.540 1.00 51.55 H new ATOM 0 HD11 ILE A 127 14.641 -0.292 -5.501 1.00 14.32 H new ATOM 0 HD12 ILE A 127 15.628 -1.615 -4.836 1.00 14.32 H new ATOM 0 HD13 ILE A 127 16.358 -0.431 -5.946 1.00 14.32 H new TER 2150 ILE A 127