USER MOD reduce.3.24.130724 H: found=0, std=0, add=1027, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1027 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 39 SER OG : rot 42:sc= 1.24 USER MOD Set 1.2: A 124 SER OG : rot 180:sc= -0.748 USER MOD Set 2.1: A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 85 MET CE :methyl -148:sc= -0.733 (180deg=-2.86!) USER MOD Set 3.1: A 73 THR OG1 : rot -72:sc= 0.3 USER MOD Set 3.2: A 75 THR OG1 : rot 115:sc= 1.59 USER MOD Set 4.1: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 60 HIS : no HD1:sc= -1.02 K(o=-1,f=-2.5!) USER MOD Set 5.1: A 30 GLN : amide:sc= -0.179 K(o=1.1,f=-0.028) USER MOD Set 5.2: A 33 LYS NZ :NH3+ -124:sc= 1.26 (180deg=0.904) USER MOD Set 6.1: A 8 GLN : amide:sc= 0.68 K(o=0.47,f=-1) USER MOD Set 6.2: A 10 GLN : amide:sc= -0.207 K(o=0.47,f=-0.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= -0.0295 (180deg=-0.133) USER MOD Single : A 2 ASN : amide:sc=-0.00726 K(o=-0.0073,f=-1.5!) USER MOD Single : A 4 SER OG : rot 180:sc= 0.219 USER MOD Single : A 6 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0128) USER MOD Single : A 7 TYR OH : rot 4:sc= 1.25 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.38! X(o=-1.4!,f=-1.2) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.311 F(o=-1.6!,f=-0.31) USER MOD Single : A 19 MET CE :methyl -170:sc= -0.624 (180deg=-0.902) USER MOD Single : A 20 LYS NZ :NH3+ 150:sc= 0.731 (180deg=0.061) USER MOD Single : A 22 MET CE :methyl -160:sc= -0.139 (180deg=-0.624) USER MOD Single : A 31 LYS NZ :NH3+ 162:sc= -0.0681 (180deg=-0.407) USER MOD Single : A 36 LYS NZ :NH3+ -169:sc= 1.18 (180deg=1.15) USER MOD Single : A 43 HIS : +bothHN:sc= -3.7! C(o=-3.7!,f=-11!) USER MOD Single : A 46 LYS NZ :NH3+ -169:sc= -0.0221 (180deg=-0.15) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 159:sc= 0.0471 (180deg=0.00176) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0408 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN :FLIP amide:sc= -0.409 F(o=-1,f=-0.41) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0145 USER MOD Single : A 69 CYS SG : rot -51:sc= -1.14! USER MOD Single : A 74 MET CE :methyl -161:sc= -1.7! (180deg=-1.79) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.795! X(o=-0.8!,f=-1.2) USER MOD Single : A 90 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.00576) USER MOD Single : A 91 MET CE :methyl 162:sc= -5.63! (180deg=-6.32!) USER MOD Single : A 93 THR OG1 : rot 100:sc=-0.00369 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0415) USER MOD Single : A 99 LYS NZ :NH3+ 160:sc= -0.0744 (180deg=-0.432) USER MOD Single : A 100 SER OG : rot 180:sc= -0.219 USER MOD Single : A 102 THR OG1 : rot 83:sc= 0.245 USER MOD Single : A 105 ASN :FLIP amide:sc= -0.356 F(o=-2.9!,f=-0.36) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 94:sc= 1.2 USER MOD Single : A 111 ASN : amide:sc= -0.484 K(o=-0.48,f=-6.9!) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 MET CE :methyl -142:sc= -4.16! (180deg=-5.69!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 150:sc= -0.0185 USER MOD Single : A 121 LYS NZ :NH3+ 154:sc= 1.07 (180deg=0.173) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.443 -16.699 4.811 1.00 0.00 N ATOM 2 CA MET A 1 8.232 -15.984 4.339 1.00 0.00 C ATOM 3 C MET A 1 7.798 -14.907 5.328 1.00 0.00 C ATOM 4 O MET A 1 7.169 -13.918 4.948 1.00 0.00 O ATOM 5 CB MET A 1 7.071 -16.963 4.133 1.00 0.00 C ATOM 6 CG MET A 1 7.272 -17.940 2.988 1.00 0.00 C ATOM 7 SD MET A 1 5.852 -19.029 2.755 1.00 0.00 S ATOM 8 CE MET A 1 6.412 -20.015 1.370 1.00 0.00 C ATOM 0 H1 MET A 1 9.790 -17.328 4.059 1.00 0.00 H new ATOM 0 H2 MET A 1 10.182 -16.008 5.053 1.00 0.00 H new ATOM 0 H3 MET A 1 9.207 -17.263 5.652 1.00 0.00 H new ATOM 0 HA MET A 1 8.489 -15.512 3.391 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.919 -17.527 5.053 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.159 -16.394 3.953 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.455 -17.385 2.068 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.160 -18.542 3.179 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.642 -20.739 1.104 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.609 -19.366 0.517 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.326 -20.542 1.644 1.00 0.00 H new ATOM 20 N ASN A 2 8.120 -15.089 6.600 1.00 0.00 N ATOM 21 CA ASN A 2 7.638 -14.178 7.628 1.00 0.00 C ATOM 22 C ASN A 2 8.516 -12.935 7.708 1.00 0.00 C ATOM 23 O ASN A 2 9.486 -12.889 8.462 1.00 0.00 O ATOM 24 CB ASN A 2 7.585 -14.872 8.994 1.00 0.00 C ATOM 25 CG ASN A 2 6.464 -15.891 9.098 1.00 0.00 C ATOM 26 OD1 ASN A 2 6.050 -16.491 8.103 1.00 0.00 O ATOM 27 ND2 ASN A 2 5.961 -16.091 10.307 1.00 0.00 N ATOM 0 H ASN A 2 8.706 -15.850 6.943 1.00 0.00 H new ATOM 0 HA ASN A 2 6.628 -13.874 7.353 1.00 0.00 H new ATOM 0 HB2 ASN A 2 8.538 -15.368 9.181 1.00 0.00 H new ATOM 0 HB3 ASN A 2 7.459 -14.120 9.773 1.00 0.00 H new ATOM 0 HD21 ASN A 2 5.204 -16.761 10.440 1.00 0.00 H new ATOM 0 HD22 ASN A 2 6.331 -15.575 11.105 1.00 0.00 H new ATOM 34 N PHE A 3 8.161 -11.925 6.930 1.00 0.00 N ATOM 35 CA PHE A 3 8.894 -10.668 6.922 1.00 0.00 C ATOM 36 C PHE A 3 8.200 -9.637 7.805 1.00 0.00 C ATOM 37 O PHE A 3 8.122 -8.461 7.456 1.00 0.00 O ATOM 38 CB PHE A 3 9.008 -10.124 5.497 1.00 0.00 C ATOM 39 CG PHE A 3 9.873 -10.944 4.582 1.00 0.00 C ATOM 40 CD1 PHE A 3 11.246 -10.765 4.565 1.00 0.00 C ATOM 41 CD2 PHE A 3 9.311 -11.881 3.730 1.00 0.00 C ATOM 42 CE1 PHE A 3 12.043 -11.509 3.717 1.00 0.00 C ATOM 43 CE2 PHE A 3 10.104 -12.626 2.878 1.00 0.00 C ATOM 44 CZ PHE A 3 11.472 -12.439 2.873 1.00 0.00 C ATOM 0 H PHE A 3 7.365 -11.951 6.292 1.00 0.00 H new ATOM 0 HA PHE A 3 9.893 -10.858 7.314 1.00 0.00 H new ATOM 0 HB2 PHE A 3 8.009 -10.056 5.067 1.00 0.00 H new ATOM 0 HB3 PHE A 3 9.406 -9.110 5.540 1.00 0.00 H new ATOM 0 HD1 PHE A 3 11.698 -10.036 5.221 1.00 0.00 H new ATOM 0 HD2 PHE A 3 8.241 -12.031 3.732 1.00 0.00 H new ATOM 0 HE1 PHE A 3 13.113 -11.363 3.715 1.00 0.00 H new ATOM 0 HE2 PHE A 3 9.655 -13.353 2.218 1.00 0.00 H new ATOM 0 HZ PHE A 3 12.095 -13.020 2.209 1.00 0.00 H new ATOM 54 N SER A 4 7.678 -10.090 8.931 1.00 0.00 N ATOM 55 CA SER A 4 6.980 -9.227 9.853 1.00 0.00 C ATOM 56 C SER A 4 7.923 -8.206 10.505 1.00 0.00 C ATOM 57 O SER A 4 9.045 -8.532 10.900 1.00 0.00 O ATOM 58 CB SER A 4 6.287 -10.088 10.897 1.00 0.00 C ATOM 59 OG SER A 4 5.774 -11.271 10.301 1.00 0.00 O ATOM 0 H SER A 4 7.728 -11.065 9.227 1.00 0.00 H new ATOM 0 HA SER A 4 6.236 -8.648 9.306 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.990 -10.347 11.689 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.477 -9.526 11.362 1.00 0.00 H new ATOM 0 HG SER A 4 5.332 -11.817 10.985 1.00 0.00 H new ATOM 65 N GLY A 5 7.450 -6.972 10.594 1.00 0.00 N ATOM 66 CA GLY A 5 8.231 -5.875 11.123 1.00 0.00 C ATOM 67 C GLY A 5 7.654 -4.558 10.655 1.00 0.00 C ATOM 68 O GLY A 5 6.571 -4.537 10.072 1.00 0.00 O ATOM 0 H GLY A 5 6.510 -6.707 10.299 1.00 0.00 H new ATOM 0 HA2 GLY A 5 8.236 -5.913 12.212 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.267 -5.964 10.796 1.00 0.00 H new ATOM 72 N LYS A 6 8.349 -3.463 10.891 1.00 0.00 N ATOM 73 CA LYS A 6 7.859 -2.166 10.447 1.00 0.00 C ATOM 74 C LYS A 6 8.673 -1.684 9.244 1.00 0.00 C ATOM 75 O LYS A 6 9.901 -1.801 9.224 1.00 0.00 O ATOM 76 CB LYS A 6 7.965 -1.139 11.570 1.00 0.00 C ATOM 77 CG LYS A 6 6.977 0.002 11.467 1.00 0.00 C ATOM 78 CD LYS A 6 5.806 -0.170 12.407 1.00 0.00 C ATOM 79 CE LYS A 6 5.676 1.020 13.327 1.00 0.00 C ATOM 80 NZ LYS A 6 6.795 1.106 14.305 1.00 0.00 N ATOM 0 H LYS A 6 9.243 -3.440 11.381 1.00 0.00 H new ATOM 0 HA LYS A 6 6.812 -2.275 10.162 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.819 -1.645 12.524 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.975 -0.730 11.578 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.484 0.941 11.689 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.611 0.072 10.443 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.888 -0.293 11.832 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.937 -1.078 12.996 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.645 1.933 12.733 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.730 0.958 13.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.570 1.819 15.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.929 0.181 14.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.668 1.378 13.810 1.00 0.00 H new ATOM 94 N TYR A 7 7.988 -1.150 8.244 1.00 0.00 N ATOM 95 CA TYR A 7 8.643 -0.633 7.051 1.00 0.00 C ATOM 96 C TYR A 7 8.176 0.781 6.770 1.00 0.00 C ATOM 97 O TYR A 7 7.008 1.021 6.511 1.00 0.00 O ATOM 98 CB TYR A 7 8.350 -1.521 5.844 1.00 0.00 C ATOM 99 CG TYR A 7 8.804 -2.946 6.028 1.00 0.00 C ATOM 100 CD1 TYR A 7 8.062 -3.822 6.796 1.00 0.00 C ATOM 101 CD2 TYR A 7 9.968 -3.411 5.441 1.00 0.00 C ATOM 102 CE1 TYR A 7 8.465 -5.125 6.986 1.00 0.00 C ATOM 103 CE2 TYR A 7 10.379 -4.715 5.618 1.00 0.00 C ATOM 104 CZ TYR A 7 9.626 -5.567 6.393 1.00 0.00 C ATOM 105 OH TYR A 7 10.042 -6.864 6.584 1.00 0.00 O ATOM 0 H TYR A 7 6.972 -1.063 8.235 1.00 0.00 H new ATOM 0 HA TYR A 7 9.718 -0.629 7.228 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.278 -1.511 5.646 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.840 -1.101 4.965 1.00 0.00 H new ATOM 0 HD1 TYR A 7 7.148 -3.478 7.257 1.00 0.00 H new ATOM 0 HD2 TYR A 7 10.563 -2.743 4.836 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.875 -5.794 7.595 1.00 0.00 H new ATOM 0 HE2 TYR A 7 11.287 -5.066 5.151 1.00 0.00 H new ATOM 0 HH TYR A 7 9.372 -7.349 7.109 1.00 0.00 H new ATOM 115 N GLN A 8 9.086 1.714 6.831 1.00 0.00 N ATOM 116 CA GLN A 8 8.765 3.103 6.604 1.00 0.00 C ATOM 117 C GLN A 8 9.035 3.441 5.141 1.00 0.00 C ATOM 118 O GLN A 8 10.148 3.246 4.648 1.00 0.00 O ATOM 119 CB GLN A 8 9.612 3.917 7.577 1.00 0.00 C ATOM 120 CG GLN A 8 9.131 5.319 7.888 1.00 0.00 C ATOM 121 CD GLN A 8 9.319 6.306 6.757 1.00 0.00 C ATOM 122 OE1 GLN A 8 10.381 6.913 6.624 1.00 0.00 O ATOM 123 NE2 GLN A 8 8.280 6.517 5.973 1.00 0.00 N ATOM 0 H GLN A 8 10.069 1.538 7.039 1.00 0.00 H new ATOM 0 HA GLN A 8 7.714 3.331 6.784 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.679 3.365 8.514 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.622 3.985 7.174 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.073 5.279 8.147 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.661 5.686 8.767 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.417 5.992 6.117 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.339 7.205 5.222 1.00 0.00 H new ATOM 132 N VAL A 9 7.994 3.892 4.442 1.00 0.00 N ATOM 133 CA VAL A 9 8.089 4.178 3.015 1.00 0.00 C ATOM 134 C VAL A 9 9.138 5.243 2.751 1.00 0.00 C ATOM 135 O VAL A 9 9.148 6.296 3.384 1.00 0.00 O ATOM 136 CB VAL A 9 6.753 4.667 2.432 1.00 0.00 C ATOM 137 CG1 VAL A 9 6.841 4.757 0.918 1.00 0.00 C ATOM 138 CG2 VAL A 9 5.609 3.768 2.851 1.00 0.00 C ATOM 0 H VAL A 9 7.073 4.067 4.844 1.00 0.00 H new ATOM 0 HA VAL A 9 8.365 3.241 2.531 1.00 0.00 H new ATOM 0 HB VAL A 9 6.553 5.662 2.830 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.888 5.104 0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.628 5.458 0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.070 3.773 0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.678 4.140 2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.793 2.755 2.494 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.531 3.761 3.938 1.00 0.00 H new ATOM 148 N GLN A 10 10.012 4.970 1.809 1.00 0.00 N ATOM 149 CA GLN A 10 11.067 5.900 1.479 1.00 0.00 C ATOM 150 C GLN A 10 10.815 6.508 0.117 1.00 0.00 C ATOM 151 O GLN A 10 10.628 7.713 -0.013 1.00 0.00 O ATOM 152 CB GLN A 10 12.433 5.215 1.515 1.00 0.00 C ATOM 153 CG GLN A 10 12.799 4.610 2.849 1.00 0.00 C ATOM 154 CD GLN A 10 12.686 5.593 4.001 1.00 0.00 C ATOM 155 OE1 GLN A 10 12.903 6.795 3.836 1.00 0.00 O ATOM 156 NE2 GLN A 10 12.339 5.091 5.174 1.00 0.00 N ATOM 0 H GLN A 10 10.013 4.112 1.258 1.00 0.00 H new ATOM 0 HA GLN A 10 11.071 6.694 2.225 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.451 4.431 0.758 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.197 5.942 1.239 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.151 3.756 3.044 1.00 0.00 H new ATOM 0 HG3 GLN A 10 13.820 4.231 2.801 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.168 4.090 5.270 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.242 5.705 5.983 1.00 0.00 H new ATOM 165 N SER A 11 10.765 5.676 -0.893 1.00 0.00 N ATOM 166 CA SER A 11 10.528 6.156 -2.226 1.00 0.00 C ATOM 167 C SER A 11 9.060 6.063 -2.535 1.00 0.00 C ATOM 168 O SER A 11 8.363 5.221 -1.996 1.00 0.00 O ATOM 169 CB SER A 11 11.290 5.338 -3.238 1.00 0.00 C ATOM 170 OG SER A 11 12.587 5.008 -2.778 1.00 0.00 O ATOM 0 H SER A 11 10.885 4.666 -0.815 1.00 0.00 H new ATOM 0 HA SER A 11 10.866 7.191 -2.283 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.738 4.424 -3.456 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.366 5.895 -4.172 1.00 0.00 H new ATOM 0 HG SER A 11 13.050 4.477 -3.459 1.00 0.00 H new ATOM 176 N GLN A 12 8.601 6.956 -3.362 1.00 0.00 N ATOM 177 CA GLN A 12 7.284 6.857 -3.960 1.00 0.00 C ATOM 178 C GLN A 12 7.326 7.542 -5.307 1.00 0.00 C ATOM 179 O GLN A 12 8.160 8.415 -5.547 1.00 0.00 O ATOM 180 CB GLN A 12 6.175 7.484 -3.108 1.00 0.00 C ATOM 181 CG GLN A 12 6.011 6.895 -1.711 1.00 0.00 C ATOM 182 CD GLN A 12 5.176 7.768 -0.793 1.00 0.00 C ATOM 183 OE1 GLN A 12 4.518 7.270 0.116 1.00 0.00 O ATOM 184 NE2 GLN A 12 5.187 9.073 -1.029 1.00 0.00 N ATOM 0 H GLN A 12 9.126 7.782 -3.648 1.00 0.00 H new ATOM 0 HA GLN A 12 7.042 5.798 -4.048 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.373 8.552 -3.013 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.229 7.382 -3.640 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.547 5.912 -1.790 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.996 6.748 -1.267 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.747 9.448 -1.794 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.635 9.702 -0.445 1.00 0.00 H new ATOM 193 N GLU A 13 6.428 7.150 -6.171 1.00 0.00 N ATOM 194 CA GLU A 13 6.390 7.661 -7.525 1.00 0.00 C ATOM 195 C GLU A 13 4.985 7.974 -7.951 1.00 0.00 C ATOM 196 O GLU A 13 4.027 7.359 -7.480 1.00 0.00 O ATOM 197 CB GLU A 13 6.964 6.666 -8.513 1.00 0.00 C ATOM 198 CG GLU A 13 8.376 6.255 -8.188 1.00 0.00 C ATOM 199 CD GLU A 13 8.996 5.341 -9.225 1.00 0.00 C ATOM 200 OE1 GLU A 13 9.201 5.780 -10.373 1.00 0.00 O ATOM 201 OE2 GLU A 13 9.303 4.180 -8.882 1.00 0.00 O ATOM 0 H GLU A 13 5.700 6.467 -5.961 1.00 0.00 H new ATOM 0 HA GLU A 13 6.992 8.570 -7.524 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.330 5.779 -8.536 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.940 7.101 -9.512 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.992 7.149 -8.089 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.386 5.753 -7.221 1.00 0.00 H new ATOM 208 N ASN A 14 4.897 8.919 -8.870 1.00 0.00 N ATOM 209 CA ASN A 14 3.644 9.337 -9.461 1.00 0.00 C ATOM 210 C ASN A 14 2.620 9.641 -8.377 1.00 0.00 C ATOM 211 O ASN A 14 1.439 9.316 -8.504 1.00 0.00 O ATOM 212 CB ASN A 14 3.088 8.279 -10.419 1.00 0.00 C ATOM 213 CG ASN A 14 4.110 7.800 -11.430 1.00 0.00 C ATOM 214 OD1 ASN A 14 4.024 6.535 -11.803 1.00 0.00 O flip ATOM 215 ND2 ASN A 14 4.975 8.559 -11.869 1.00 0.00 N flip ATOM 0 H ASN A 14 5.707 9.423 -9.230 1.00 0.00 H new ATOM 0 HA ASN A 14 3.841 10.242 -10.036 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.729 7.427 -9.842 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.228 8.691 -10.947 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.008 9.529 -11.556 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.658 8.217 -12.545 1.00 0.00 H new ATOM 222 N PHE A 15 3.084 10.265 -7.308 1.00 0.00 N ATOM 223 CA PHE A 15 2.225 10.590 -6.188 1.00 0.00 C ATOM 224 C PHE A 15 1.290 11.718 -6.570 1.00 0.00 C ATOM 225 O PHE A 15 0.107 11.714 -6.217 1.00 0.00 O ATOM 226 CB PHE A 15 3.072 10.976 -4.969 1.00 0.00 C ATOM 227 CG PHE A 15 2.280 11.534 -3.819 1.00 0.00 C ATOM 228 CD1 PHE A 15 1.983 12.887 -3.758 1.00 0.00 C ATOM 229 CD2 PHE A 15 1.834 10.708 -2.801 1.00 0.00 C ATOM 230 CE1 PHE A 15 1.256 13.405 -2.707 1.00 0.00 C ATOM 231 CE2 PHE A 15 1.107 11.220 -1.743 1.00 0.00 C ATOM 232 CZ PHE A 15 0.818 12.570 -1.696 1.00 0.00 C ATOM 0 H PHE A 15 4.055 10.557 -7.194 1.00 0.00 H new ATOM 0 HA PHE A 15 1.628 9.716 -5.927 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.618 10.097 -4.627 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.815 11.713 -5.275 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.326 13.544 -4.544 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.057 9.652 -2.834 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.029 14.460 -2.674 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.765 10.566 -0.954 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.250 12.973 -0.870 1.00 0.00 H new ATOM 242 N GLU A 16 1.829 12.669 -7.313 1.00 0.00 N ATOM 243 CA GLU A 16 1.067 13.816 -7.757 1.00 0.00 C ATOM 244 C GLU A 16 -0.114 13.382 -8.584 1.00 0.00 C ATOM 245 O GLU A 16 -1.232 13.654 -8.222 1.00 0.00 O ATOM 246 CB GLU A 16 1.917 14.747 -8.597 1.00 0.00 C ATOM 247 CG GLU A 16 3.395 14.507 -8.456 1.00 0.00 C ATOM 248 CD GLU A 16 4.212 15.576 -9.140 1.00 0.00 C ATOM 249 OE1 GLU A 16 3.604 16.493 -9.735 1.00 0.00 O ATOM 250 OE2 GLU A 16 5.456 15.503 -9.094 1.00 0.00 O ATOM 0 H GLU A 16 2.801 12.666 -7.622 1.00 0.00 H new ATOM 0 HA GLU A 16 0.727 14.339 -6.863 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.638 14.634 -9.645 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.697 15.777 -8.318 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.657 14.472 -7.398 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.646 13.534 -8.878 1.00 0.00 H new ATOM 257 N PRO A 17 0.111 12.677 -9.698 1.00 0.00 N ATOM 258 CA PRO A 17 -0.967 12.336 -10.619 1.00 0.00 C ATOM 259 C PRO A 17 -2.068 11.539 -9.933 1.00 0.00 C ATOM 260 O PRO A 17 -3.237 11.618 -10.312 1.00 0.00 O ATOM 261 CB PRO A 17 -0.292 11.498 -11.688 1.00 0.00 C ATOM 262 CG PRO A 17 0.967 11.014 -11.056 1.00 0.00 C ATOM 263 CD PRO A 17 1.395 12.103 -10.120 1.00 0.00 C ATOM 0 HA PRO A 17 -1.454 13.226 -11.018 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.925 10.666 -11.996 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -0.085 12.088 -12.581 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.802 10.079 -10.520 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.733 10.820 -11.807 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.963 11.713 -9.275 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.026 12.840 -10.616 1.00 0.00 H new ATOM 271 N PHE A 18 -1.692 10.786 -8.903 1.00 0.00 N ATOM 272 CA PHE A 18 -2.661 10.034 -8.136 1.00 0.00 C ATOM 273 C PHE A 18 -3.472 10.966 -7.243 1.00 0.00 C ATOM 274 O PHE A 18 -4.697 10.958 -7.283 1.00 0.00 O ATOM 275 CB PHE A 18 -1.974 8.974 -7.272 1.00 0.00 C ATOM 276 CG PHE A 18 -2.961 8.148 -6.507 1.00 0.00 C ATOM 277 CD1 PHE A 18 -3.946 7.458 -7.183 1.00 0.00 C ATOM 278 CD2 PHE A 18 -2.928 8.084 -5.124 1.00 0.00 C ATOM 279 CE1 PHE A 18 -4.881 6.714 -6.506 1.00 0.00 C ATOM 280 CE2 PHE A 18 -3.865 7.340 -4.433 1.00 0.00 C ATOM 281 CZ PHE A 18 -4.845 6.653 -5.127 1.00 0.00 C ATOM 0 H PHE A 18 -0.727 10.685 -8.587 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.327 9.536 -8.840 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.372 8.324 -7.906 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -1.291 9.461 -6.575 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.982 7.504 -8.261 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.164 8.620 -4.581 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.643 6.177 -7.051 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.832 7.295 -3.354 1.00 0.00 H new ATOM 0 HZ PHE A 18 -5.580 6.070 -4.592 1.00 0.00 H new ATOM 291 N MET A 19 -2.779 11.788 -6.464 1.00 0.00 N ATOM 292 CA MET A 19 -3.431 12.746 -5.570 1.00 0.00 C ATOM 293 C MET A 19 -4.120 13.840 -6.355 1.00 0.00 C ATOM 294 O MET A 19 -5.154 14.343 -5.940 1.00 0.00 O ATOM 295 CB MET A 19 -2.415 13.354 -4.610 1.00 0.00 C ATOM 296 CG MET A 19 -2.141 12.483 -3.395 1.00 0.00 C ATOM 297 SD MET A 19 -2.914 13.100 -1.881 1.00 0.00 S ATOM 298 CE MET A 19 -4.650 13.071 -2.317 1.00 0.00 C ATOM 0 H MET A 19 -1.760 11.812 -6.431 1.00 0.00 H new ATOM 0 HA MET A 19 -4.185 12.209 -4.995 1.00 0.00 H new ATOM 0 HB2 MET A 19 -1.480 13.527 -5.143 1.00 0.00 H new ATOM 0 HB3 MET A 19 -2.777 14.327 -4.277 1.00 0.00 H new ATOM 0 HG2 MET A 19 -2.501 11.473 -3.592 1.00 0.00 H new ATOM 0 HG3 MET A 19 -1.064 12.414 -3.242 1.00 0.00 H new ATOM 0 HE1 MET A 19 -5.226 13.588 -1.550 1.00 0.00 H new ATOM 0 HE2 MET A 19 -4.793 13.569 -3.276 1.00 0.00 H new ATOM 0 HE3 MET A 19 -4.989 12.038 -2.391 1.00 0.00 H new ATOM 308 N LYS A 20 -3.554 14.188 -7.494 1.00 0.00 N ATOM 309 CA LYS A 20 -4.131 15.194 -8.358 1.00 0.00 C ATOM 310 C LYS A 20 -5.514 14.748 -8.766 1.00 0.00 C ATOM 311 O LYS A 20 -6.492 15.463 -8.555 1.00 0.00 O ATOM 312 CB LYS A 20 -3.254 15.376 -9.583 1.00 0.00 C ATOM 313 CG LYS A 20 -2.315 16.550 -9.478 1.00 0.00 C ATOM 314 CD LYS A 20 -1.060 16.304 -10.264 1.00 0.00 C ATOM 315 CE LYS A 20 -0.218 17.546 -10.319 1.00 0.00 C ATOM 316 NZ LYS A 20 1.138 17.292 -10.882 1.00 0.00 N ATOM 0 H LYS A 20 -2.686 13.783 -7.844 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.197 16.147 -7.833 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.672 14.468 -9.742 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.889 15.505 -10.459 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.809 17.450 -9.846 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.065 16.728 -8.432 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.492 15.493 -9.808 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.314 15.986 -11.275 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.724 18.298 -10.925 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.119 17.959 -9.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.480 18.148 -11.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.792 17.043 -10.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.090 16.507 -11.563 1.00 0.00 H new ATOM 330 N ALA A 21 -5.586 13.492 -9.214 1.00 0.00 N ATOM 331 CA ALA A 21 -6.840 12.877 -9.603 1.00 0.00 C ATOM 332 C ALA A 21 -7.693 12.590 -8.382 1.00 0.00 C ATOM 333 O ALA A 21 -8.907 12.403 -8.463 1.00 0.00 O ATOM 334 CB ALA A 21 -6.583 11.611 -10.383 1.00 0.00 C ATOM 0 H ALA A 21 -4.775 12.882 -9.314 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.384 13.572 -10.243 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.533 11.160 -10.668 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.009 11.846 -11.279 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.020 10.911 -9.765 1.00 0.00 H new ATOM 340 N MET A 22 -7.020 12.560 -7.249 1.00 0.00 N ATOM 341 CA MET A 22 -7.652 12.368 -5.956 1.00 0.00 C ATOM 342 C MET A 22 -8.256 13.676 -5.468 1.00 0.00 C ATOM 343 O MET A 22 -8.928 13.727 -4.438 1.00 0.00 O ATOM 344 CB MET A 22 -6.624 11.826 -4.962 1.00 0.00 C ATOM 345 CG MET A 22 -6.568 10.314 -4.936 1.00 0.00 C ATOM 346 SD MET A 22 -8.122 9.561 -4.413 1.00 0.00 S ATOM 347 CE MET A 22 -8.290 10.231 -2.760 1.00 0.00 C ATOM 0 H MET A 22 -6.007 12.669 -7.198 1.00 0.00 H new ATOM 0 HA MET A 22 -8.460 11.642 -6.047 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.639 12.216 -5.217 1.00 0.00 H new ATOM 0 HB3 MET A 22 -6.863 12.193 -3.964 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.310 9.948 -5.930 1.00 0.00 H new ATOM 0 HG3 MET A 22 -5.772 9.997 -4.262 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.977 9.611 -2.184 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.316 10.243 -2.272 1.00 0.00 H new ATOM 0 HE3 MET A 22 -8.680 11.247 -2.817 1.00 0.00 H new ATOM 357 N GLY A 23 -8.004 14.732 -6.228 1.00 0.00 N ATOM 358 CA GLY A 23 -8.593 16.027 -5.944 1.00 0.00 C ATOM 359 C GLY A 23 -7.609 16.981 -5.307 1.00 0.00 C ATOM 360 O GLY A 23 -7.996 18.032 -4.791 1.00 0.00 O ATOM 0 H GLY A 23 -7.395 14.715 -7.046 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.970 16.462 -6.870 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.449 15.896 -5.282 1.00 0.00 H new ATOM 364 N LEU A 24 -6.337 16.617 -5.331 1.00 0.00 N ATOM 365 CA LEU A 24 -5.307 17.424 -4.694 1.00 0.00 C ATOM 366 C LEU A 24 -4.739 18.435 -5.674 1.00 0.00 C ATOM 367 O LEU A 24 -4.363 18.099 -6.799 1.00 0.00 O ATOM 368 CB LEU A 24 -4.189 16.546 -4.125 1.00 0.00 C ATOM 369 CG LEU A 24 -3.331 17.218 -3.062 1.00 0.00 C ATOM 370 CD1 LEU A 24 -4.122 17.379 -1.781 1.00 0.00 C ATOM 371 CD2 LEU A 24 -2.049 16.449 -2.814 1.00 0.00 C ATOM 0 H LEU A 24 -5.993 15.770 -5.783 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.768 17.962 -3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.633 15.647 -3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.545 16.226 -4.944 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.050 18.206 -3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.499 17.861 -1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.002 17.993 -1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.435 16.399 -1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.462 16.958 -2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.289 15.441 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.473 16.395 -3.738 1.00 0.00 H new ATOM 383 N PRO A 25 -4.702 19.690 -5.245 1.00 0.00 N ATOM 384 CA PRO A 25 -4.114 20.776 -6.013 1.00 0.00 C ATOM 385 C PRO A 25 -2.606 20.624 -6.118 1.00 0.00 C ATOM 386 O PRO A 25 -1.981 20.082 -5.214 1.00 0.00 O ATOM 387 CB PRO A 25 -4.457 22.033 -5.218 1.00 0.00 C ATOM 388 CG PRO A 25 -4.988 21.586 -3.903 1.00 0.00 C ATOM 389 CD PRO A 25 -5.244 20.122 -3.959 1.00 0.00 C ATOM 0 HA PRO A 25 -4.493 20.800 -7.035 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.574 22.658 -5.085 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.196 22.634 -5.748 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.274 21.814 -3.111 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.908 22.121 -3.667 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.757 19.605 -3.132 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.310 19.905 -3.887 1.00 0.00 H new ATOM 397 N GLU A 26 -2.029 21.115 -7.214 1.00 0.00 N ATOM 398 CA GLU A 26 -0.591 21.001 -7.463 1.00 0.00 C ATOM 399 C GLU A 26 0.230 21.512 -6.288 1.00 0.00 C ATOM 400 O GLU A 26 1.278 20.957 -5.968 1.00 0.00 O ATOM 401 CB GLU A 26 -0.181 21.750 -8.728 1.00 0.00 C ATOM 402 CG GLU A 26 -0.288 23.249 -8.610 1.00 0.00 C ATOM 403 CD GLU A 26 -1.704 23.760 -8.437 1.00 0.00 C ATOM 404 OE1 GLU A 26 -2.432 23.858 -9.441 1.00 0.00 O ATOM 405 OE2 GLU A 26 -2.090 24.065 -7.288 1.00 0.00 O ATOM 0 H GLU A 26 -2.541 21.600 -7.951 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.386 19.939 -7.596 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.847 21.487 -8.977 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.806 21.415 -9.556 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.311 23.579 -7.761 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.144 23.704 -9.501 1.00 0.00 H new ATOM 412 N ASP A 27 -0.247 22.568 -5.653 1.00 0.00 N ATOM 413 CA ASP A 27 0.468 23.159 -4.539 1.00 0.00 C ATOM 414 C ASP A 27 0.520 22.199 -3.360 1.00 0.00 C ATOM 415 O ASP A 27 1.567 22.010 -2.743 1.00 0.00 O ATOM 416 CB ASP A 27 -0.191 24.477 -4.131 1.00 0.00 C ATOM 417 CG ASP A 27 0.459 25.106 -2.919 1.00 0.00 C ATOM 418 OD1 ASP A 27 1.672 25.392 -2.974 1.00 0.00 O ATOM 419 OD2 ASP A 27 -0.247 25.341 -1.918 1.00 0.00 O ATOM 0 H ASP A 27 -1.124 23.032 -5.890 1.00 0.00 H new ATOM 0 HA ASP A 27 1.492 23.362 -4.853 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.144 25.175 -4.966 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.246 24.301 -3.922 1.00 0.00 H new ATOM 424 N LEU A 28 -0.607 21.559 -3.080 1.00 0.00 N ATOM 425 CA LEU A 28 -0.673 20.561 -2.025 1.00 0.00 C ATOM 426 C LEU A 28 0.026 19.288 -2.473 1.00 0.00 C ATOM 427 O LEU A 28 0.604 18.563 -1.666 1.00 0.00 O ATOM 428 CB LEU A 28 -2.115 20.271 -1.644 1.00 0.00 C ATOM 429 CG LEU A 28 -2.750 21.314 -0.741 1.00 0.00 C ATOM 430 CD1 LEU A 28 -4.191 20.954 -0.453 1.00 0.00 C ATOM 431 CD2 LEU A 28 -1.961 21.440 0.547 1.00 0.00 C ATOM 0 H LEU A 28 -1.488 21.714 -3.570 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.165 20.953 -1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.708 20.188 -2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.158 19.303 -1.146 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.734 22.277 -1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.633 21.711 0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.748 20.908 -1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.232 19.984 0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.426 22.191 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.951 20.480 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.938 21.740 0.319 1.00 0.00 H new ATOM 443 N ILE A 29 -0.038 19.043 -3.772 1.00 0.00 N ATOM 444 CA ILE A 29 0.641 17.938 -4.404 1.00 0.00 C ATOM 445 C ILE A 29 2.139 18.004 -4.159 1.00 0.00 C ATOM 446 O ILE A 29 2.744 17.019 -3.768 1.00 0.00 O ATOM 447 CB ILE A 29 0.359 17.994 -5.916 1.00 0.00 C ATOM 448 CG1 ILE A 29 -0.974 17.330 -6.221 1.00 0.00 C ATOM 449 CG2 ILE A 29 1.459 17.362 -6.711 1.00 0.00 C ATOM 450 CD1 ILE A 29 -0.941 15.828 -6.167 1.00 0.00 C ATOM 0 H ILE A 29 -0.573 19.619 -4.422 1.00 0.00 H new ATOM 0 HA ILE A 29 0.274 17.003 -3.981 1.00 0.00 H new ATOM 0 HB ILE A 29 0.311 19.043 -6.210 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.718 17.692 -5.511 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.303 17.640 -7.213 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.221 17.422 -7.773 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.395 17.887 -6.518 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.563 16.316 -6.421 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.931 15.434 -6.397 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.223 15.453 -6.897 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.645 15.506 -5.169 1.00 0.00 H new ATOM 462 N GLN A 30 2.717 19.176 -4.369 1.00 0.00 N ATOM 463 CA GLN A 30 4.145 19.372 -4.172 1.00 0.00 C ATOM 464 C GLN A 30 4.532 19.192 -2.704 1.00 0.00 C ATOM 465 O GLN A 30 5.653 18.787 -2.394 1.00 0.00 O ATOM 466 CB GLN A 30 4.547 20.768 -4.658 1.00 0.00 C ATOM 467 CG GLN A 30 4.500 20.931 -6.159 1.00 0.00 C ATOM 468 CD GLN A 30 5.429 19.981 -6.888 1.00 0.00 C ATOM 469 OE1 GLN A 30 5.050 18.866 -7.245 1.00 0.00 O ATOM 470 NE2 GLN A 30 6.656 20.416 -7.115 1.00 0.00 N ATOM 0 H GLN A 30 2.217 20.010 -4.677 1.00 0.00 H new ATOM 0 HA GLN A 30 4.678 18.619 -4.752 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.886 21.505 -4.202 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.557 20.986 -4.310 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.479 20.768 -6.505 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.764 21.957 -6.416 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.933 21.347 -6.803 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.326 19.821 -7.602 1.00 0.00 H new ATOM 479 N LYS A 31 3.598 19.485 -1.810 1.00 0.00 N ATOM 480 CA LYS A 31 3.844 19.378 -0.382 1.00 0.00 C ATOM 481 C LYS A 31 3.720 17.938 0.071 1.00 0.00 C ATOM 482 O LYS A 31 4.663 17.364 0.615 1.00 0.00 O ATOM 483 CB LYS A 31 2.879 20.256 0.382 1.00 0.00 C ATOM 484 CG LYS A 31 3.127 21.725 0.135 1.00 0.00 C ATOM 485 CD LYS A 31 1.859 22.500 0.308 1.00 0.00 C ATOM 486 CE LYS A 31 1.430 22.535 1.758 1.00 0.00 C ATOM 487 NZ LYS A 31 2.408 23.262 2.606 1.00 0.00 N ATOM 0 H LYS A 31 2.659 19.800 -2.052 1.00 0.00 H new ATOM 0 HA LYS A 31 4.860 19.716 -0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.858 20.008 0.093 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.968 20.048 1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.885 22.094 0.826 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.516 21.871 -0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.000 23.518 -0.057 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.071 22.051 -0.296 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.454 23.014 1.837 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.315 21.516 2.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.957 23.531 3.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.224 22.647 2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.729 24.118 2.110 1.00 0.00 H new ATOM 501 N GLY A 32 2.554 17.353 -0.194 1.00 0.00 N ATOM 502 CA GLY A 32 2.298 15.967 0.155 1.00 0.00 C ATOM 503 C GLY A 32 3.222 15.023 -0.583 1.00 0.00 C ATOM 504 O GLY A 32 3.372 13.861 -0.213 1.00 0.00 O ATOM 0 H GLY A 32 1.773 17.823 -0.651 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.424 15.833 1.229 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.263 15.719 -0.078 1.00 0.00 H new ATOM 508 N LYS A 33 3.854 15.552 -1.622 1.00 0.00 N ATOM 509 CA LYS A 33 4.756 14.803 -2.473 1.00 0.00 C ATOM 510 C LYS A 33 5.905 14.160 -1.687 1.00 0.00 C ATOM 511 O LYS A 33 6.422 13.109 -2.073 1.00 0.00 O ATOM 512 CB LYS A 33 5.295 15.761 -3.529 1.00 0.00 C ATOM 513 CG LYS A 33 6.389 15.208 -4.374 1.00 0.00 C ATOM 514 CD LYS A 33 6.256 15.713 -5.796 1.00 0.00 C ATOM 515 CE LYS A 33 7.602 16.058 -6.377 1.00 0.00 C ATOM 516 NZ LYS A 33 7.502 16.524 -7.783 1.00 0.00 N ATOM 0 H LYS A 33 3.750 16.528 -1.898 1.00 0.00 H new ATOM 0 HA LYS A 33 4.211 13.979 -2.935 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.473 16.065 -4.177 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.658 16.660 -3.032 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.357 15.499 -3.966 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.353 14.119 -4.362 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.775 14.953 -6.412 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.612 16.592 -5.814 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.070 16.834 -5.771 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.251 15.183 -6.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.107 15.933 -8.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.515 16.452 -8.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.814 17.514 -7.844 1.00 0.00 H new ATOM 530 N ASP A 34 6.289 14.780 -0.581 1.00 0.00 N ATOM 531 CA ASP A 34 7.427 14.305 0.204 1.00 0.00 C ATOM 532 C ASP A 34 6.951 13.436 1.359 1.00 0.00 C ATOM 533 O ASP A 34 7.746 12.857 2.096 1.00 0.00 O ATOM 534 CB ASP A 34 8.247 15.487 0.734 1.00 0.00 C ATOM 535 CG ASP A 34 9.476 15.054 1.517 1.00 0.00 C ATOM 536 OD1 ASP A 34 10.506 14.718 0.887 1.00 0.00 O ATOM 537 OD2 ASP A 34 9.424 15.059 2.768 1.00 0.00 O ATOM 0 H ASP A 34 5.833 15.611 -0.205 1.00 0.00 H new ATOM 0 HA ASP A 34 8.064 13.704 -0.446 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.558 16.111 -0.104 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.615 16.103 1.373 1.00 0.00 H new ATOM 542 N ILE A 35 5.648 13.342 1.517 1.00 0.00 N ATOM 543 CA ILE A 35 5.074 12.591 2.595 1.00 0.00 C ATOM 544 C ILE A 35 5.048 11.102 2.314 1.00 0.00 C ATOM 545 O ILE A 35 4.599 10.641 1.263 1.00 0.00 O ATOM 546 CB ILE A 35 3.662 13.110 2.919 1.00 0.00 C ATOM 547 CG1 ILE A 35 3.758 14.380 3.753 1.00 0.00 C ATOM 548 CG2 ILE A 35 2.820 12.067 3.621 1.00 0.00 C ATOM 549 CD1 ILE A 35 4.211 15.601 3.003 1.00 0.00 C ATOM 0 H ILE A 35 4.966 13.784 0.901 1.00 0.00 H new ATOM 0 HA ILE A 35 5.714 12.736 3.465 1.00 0.00 H new ATOM 0 HB ILE A 35 3.163 13.336 1.977 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.781 14.583 4.191 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.447 14.203 4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.832 12.477 3.830 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.721 11.189 2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.300 11.782 4.557 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.247 16.453 3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.203 15.425 2.588 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.511 15.812 2.194 1.00 0.00 H new ATOM 561 N LYS A 36 5.558 10.377 3.287 1.00 0.00 N ATOM 562 CA LYS A 36 5.536 8.927 3.301 1.00 0.00 C ATOM 563 C LYS A 36 5.254 8.489 4.723 1.00 0.00 C ATOM 564 O LYS A 36 5.821 9.041 5.668 1.00 0.00 O ATOM 565 CB LYS A 36 6.873 8.330 2.848 1.00 0.00 C ATOM 566 CG LYS A 36 7.390 8.881 1.534 1.00 0.00 C ATOM 567 CD LYS A 36 8.652 9.691 1.754 1.00 0.00 C ATOM 568 CE LYS A 36 8.942 10.603 0.578 1.00 0.00 C ATOM 569 NZ LYS A 36 9.148 9.851 -0.685 1.00 0.00 N ATOM 0 H LYS A 36 6.008 10.785 4.106 1.00 0.00 H new ATOM 0 HA LYS A 36 4.770 8.576 2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.619 8.510 3.622 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.763 7.249 2.757 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.593 8.061 0.845 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.627 9.506 1.070 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.549 10.287 2.661 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.495 9.018 1.909 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.115 11.301 0.451 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.830 11.197 0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.523 10.492 -1.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.824 9.078 -0.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.241 9.456 -1.006 1.00 0.00 H new ATOM 583 N GLY A 37 4.366 7.534 4.887 1.00 0.00 N ATOM 584 CA GLY A 37 4.012 7.097 6.216 1.00 0.00 C ATOM 585 C GLY A 37 4.768 5.862 6.634 1.00 0.00 C ATOM 586 O GLY A 37 5.702 5.430 5.955 1.00 0.00 O ATOM 0 H GLY A 37 3.883 7.052 4.129 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.212 7.900 6.925 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.942 6.896 6.256 1.00 0.00 H new ATOM 590 N VAL A 38 4.359 5.288 7.745 1.00 0.00 N ATOM 591 CA VAL A 38 4.969 4.077 8.236 1.00 0.00 C ATOM 592 C VAL A 38 4.056 2.898 7.954 1.00 0.00 C ATOM 593 O VAL A 38 2.864 2.943 8.258 1.00 0.00 O ATOM 594 CB VAL A 38 5.250 4.166 9.744 1.00 0.00 C ATOM 595 CG1 VAL A 38 5.948 2.914 10.243 1.00 0.00 C ATOM 596 CG2 VAL A 38 6.083 5.395 10.022 1.00 0.00 C ATOM 0 H VAL A 38 3.601 5.646 8.327 1.00 0.00 H new ATOM 0 HA VAL A 38 5.920 3.941 7.722 1.00 0.00 H new ATOM 0 HB VAL A 38 4.304 4.245 10.279 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.135 3.004 11.313 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.316 2.046 10.057 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.896 2.792 9.718 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.285 5.463 11.091 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.025 5.327 9.478 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.540 6.283 9.698 1.00 0.00 H new ATOM 606 N SER A 39 4.605 1.864 7.344 1.00 0.00 N ATOM 607 CA SER A 39 3.826 0.680 7.028 1.00 0.00 C ATOM 608 C SER A 39 4.350 -0.525 7.790 1.00 0.00 C ATOM 609 O SER A 39 5.474 -0.962 7.589 1.00 0.00 O ATOM 610 CB SER A 39 3.814 0.416 5.515 1.00 0.00 C ATOM 611 OG SER A 39 5.033 0.806 4.903 1.00 0.00 O ATOM 0 H SER A 39 5.583 1.819 7.058 1.00 0.00 H new ATOM 0 HA SER A 39 2.797 0.856 7.341 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.638 -0.644 5.332 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.987 0.960 5.058 1.00 0.00 H new ATOM 0 HG SER A 39 5.785 0.537 5.471 1.00 0.00 H new ATOM 617 N GLU A 40 3.527 -1.058 8.665 1.00 0.00 N ATOM 618 CA GLU A 40 3.921 -2.181 9.489 1.00 0.00 C ATOM 619 C GLU A 40 3.376 -3.459 8.876 1.00 0.00 C ATOM 620 O GLU A 40 2.183 -3.554 8.585 1.00 0.00 O ATOM 621 CB GLU A 40 3.378 -2.002 10.898 1.00 0.00 C ATOM 622 CG GLU A 40 3.945 -2.984 11.899 1.00 0.00 C ATOM 623 CD GLU A 40 3.147 -2.995 13.184 1.00 0.00 C ATOM 624 OE1 GLU A 40 3.420 -2.153 14.064 1.00 0.00 O ATOM 625 OE2 GLU A 40 2.221 -3.821 13.306 1.00 0.00 O ATOM 0 H GLU A 40 2.575 -0.730 8.826 1.00 0.00 H new ATOM 0 HA GLU A 40 5.008 -2.238 9.540 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.594 -0.988 11.235 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.293 -2.106 10.875 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.950 -3.984 11.465 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.981 -2.725 12.116 1.00 0.00 H new ATOM 632 N ILE A 41 4.254 -4.425 8.673 1.00 0.00 N ATOM 633 CA ILE A 41 3.913 -5.628 7.933 1.00 0.00 C ATOM 634 C ILE A 41 4.196 -6.865 8.771 1.00 0.00 C ATOM 635 O ILE A 41 5.336 -7.124 9.100 1.00 0.00 O ATOM 636 CB ILE A 41 4.760 -5.727 6.647 1.00 0.00 C ATOM 637 CG1 ILE A 41 4.905 -4.356 5.984 1.00 0.00 C ATOM 638 CG2 ILE A 41 4.161 -6.735 5.681 1.00 0.00 C ATOM 639 CD1 ILE A 41 3.624 -3.807 5.414 1.00 0.00 C ATOM 0 H ILE A 41 5.215 -4.399 9.013 1.00 0.00 H new ATOM 0 HA ILE A 41 2.853 -5.574 7.685 1.00 0.00 H new ATOM 0 HB ILE A 41 5.755 -6.075 6.924 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.295 -3.650 6.717 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.644 -4.427 5.186 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.775 -6.787 4.782 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.126 -7.716 6.154 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.151 -6.426 5.412 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.814 -2.833 4.963 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.241 -4.490 4.655 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.888 -3.700 6.211 1.00 0.00 H new ATOM 651 N VAL A 42 3.172 -7.626 9.114 1.00 0.00 N ATOM 652 CA VAL A 42 3.366 -8.891 9.835 1.00 0.00 C ATOM 653 C VAL A 42 2.683 -10.012 9.078 1.00 0.00 C ATOM 654 O VAL A 42 1.460 -10.074 9.019 1.00 0.00 O ATOM 655 CB VAL A 42 2.781 -8.835 11.262 1.00 0.00 C ATOM 656 CG1 VAL A 42 3.107 -10.102 12.031 1.00 0.00 C ATOM 657 CG2 VAL A 42 3.287 -7.612 11.999 1.00 0.00 C ATOM 0 H VAL A 42 2.198 -7.400 8.910 1.00 0.00 H new ATOM 0 HA VAL A 42 4.439 -9.067 9.908 1.00 0.00 H new ATOM 0 HB VAL A 42 1.697 -8.760 11.182 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.684 -10.038 13.034 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.683 -10.962 11.512 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.189 -10.217 12.100 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.863 -7.591 13.003 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.374 -7.651 12.065 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.988 -6.713 11.460 1.00 0.00 H new ATOM 667 N HIS A 43 3.461 -10.910 8.519 1.00 0.00 N ATOM 668 CA HIS A 43 2.893 -11.959 7.689 1.00 0.00 C ATOM 669 C HIS A 43 2.906 -13.293 8.413 1.00 0.00 C ATOM 670 O HIS A 43 3.963 -13.850 8.705 1.00 0.00 O ATOM 671 CB HIS A 43 3.621 -12.044 6.338 1.00 0.00 C ATOM 672 CG HIS A 43 3.451 -13.359 5.626 1.00 0.00 C ATOM 673 ND1 HIS A 43 4.511 -14.107 5.177 1.00 0.00 N ATOM 674 CD2 HIS A 43 2.339 -14.062 5.302 1.00 0.00 C ATOM 675 CE1 HIS A 43 4.065 -15.210 4.617 1.00 0.00 C ATOM 676 NE2 HIS A 43 2.751 -15.209 4.677 1.00 0.00 N ATOM 0 H HIS A 43 4.476 -10.940 8.619 1.00 0.00 H new ATOM 0 HA HIS A 43 1.852 -11.706 7.487 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.258 -11.245 5.692 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.684 -11.866 6.499 1.00 0.00 H new ATOM 0 HD1 HIS A 43 5.493 -13.847 5.264 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.318 -13.772 5.500 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.675 -15.987 4.181 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.139 -15.942 4.317 1.00 0.00 H new ATOM 685 N GLU A 44 1.715 -13.789 8.687 1.00 0.00 N ATOM 686 CA GLU A 44 1.548 -15.081 9.336 1.00 0.00 C ATOM 687 C GLU A 44 0.758 -16.056 8.454 1.00 0.00 C ATOM 688 O GLU A 44 -0.435 -15.863 8.190 1.00 0.00 O ATOM 689 CB GLU A 44 0.879 -14.897 10.692 1.00 0.00 C ATOM 690 CG GLU A 44 -0.399 -14.109 10.597 1.00 0.00 C ATOM 691 CD GLU A 44 -1.140 -14.023 11.911 1.00 0.00 C ATOM 692 OE1 GLU A 44 -1.895 -14.960 12.237 1.00 0.00 O ATOM 693 OE2 GLU A 44 -0.965 -13.015 12.629 1.00 0.00 O ATOM 0 H GLU A 44 0.839 -13.314 8.469 1.00 0.00 H new ATOM 0 HA GLU A 44 2.534 -15.519 9.490 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.669 -15.874 11.126 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.567 -14.389 11.368 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.173 -13.102 10.247 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.047 -14.568 9.850 1.00 0.00 H new ATOM 700 N GLY A 45 1.440 -17.102 7.990 1.00 0.00 N ATOM 701 CA GLY A 45 0.808 -18.100 7.145 1.00 0.00 C ATOM 702 C GLY A 45 0.406 -17.542 5.797 1.00 0.00 C ATOM 703 O GLY A 45 1.245 -17.329 4.925 1.00 0.00 O ATOM 0 H GLY A 45 2.426 -17.275 8.187 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.492 -18.936 7.000 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.074 -18.494 7.650 1.00 0.00 H new ATOM 707 N LYS A 46 -0.881 -17.318 5.631 1.00 0.00 N ATOM 708 CA LYS A 46 -1.405 -16.672 4.441 1.00 0.00 C ATOM 709 C LYS A 46 -1.565 -15.187 4.667 1.00 0.00 C ATOM 710 O LYS A 46 -1.181 -14.367 3.838 1.00 0.00 O ATOM 711 CB LYS A 46 -2.754 -17.247 4.080 1.00 0.00 C ATOM 712 CG LYS A 46 -2.686 -18.324 3.023 1.00 0.00 C ATOM 713 CD LYS A 46 -2.072 -19.606 3.552 1.00 0.00 C ATOM 714 CE LYS A 46 -1.994 -20.670 2.470 1.00 0.00 C ATOM 715 NZ LYS A 46 -3.336 -21.087 1.982 1.00 0.00 N ATOM 0 H LYS A 46 -1.593 -17.577 6.314 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.697 -16.847 3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.217 -17.658 4.977 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.400 -16.443 3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.690 -18.530 2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.100 -17.964 2.177 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.073 -19.401 3.936 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.665 -19.977 4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.409 -20.290 1.633 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.466 -21.541 2.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.241 -21.936 1.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.950 -21.300 2.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.756 -20.318 1.422 1.00 0.00 H new ATOM 729 N LYS A 47 -2.123 -14.854 5.805 1.00 0.00 N ATOM 730 CA LYS A 47 -2.495 -13.487 6.093 1.00 0.00 C ATOM 731 C LYS A 47 -1.282 -12.636 6.399 1.00 0.00 C ATOM 732 O LYS A 47 -0.377 -13.031 7.130 1.00 0.00 O ATOM 733 CB LYS A 47 -3.443 -13.434 7.278 1.00 0.00 C ATOM 734 CG LYS A 47 -4.337 -14.645 7.394 1.00 0.00 C ATOM 735 CD LYS A 47 -5.495 -14.356 8.314 1.00 0.00 C ATOM 736 CE LYS A 47 -6.258 -15.611 8.694 1.00 0.00 C ATOM 737 NZ LYS A 47 -7.369 -15.304 9.630 1.00 0.00 N ATOM 0 H LYS A 47 -2.332 -15.515 6.553 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.988 -13.092 5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.861 -13.334 8.194 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.064 -12.542 7.196 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.708 -14.927 6.409 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.765 -15.492 7.773 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.126 -13.871 9.218 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.174 -13.654 7.830 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.656 -16.083 7.796 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.578 -16.327 9.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.872 -16.182 9.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.985 -14.876 10.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.030 -14.639 9.179 1.00 0.00 H new ATOM 751 N VAL A 48 -1.282 -11.462 5.819 1.00 0.00 N ATOM 752 CA VAL A 48 -0.248 -10.489 6.043 1.00 0.00 C ATOM 753 C VAL A 48 -0.878 -9.229 6.628 1.00 0.00 C ATOM 754 O VAL A 48 -1.921 -8.785 6.150 1.00 0.00 O ATOM 755 CB VAL A 48 0.472 -10.136 4.729 1.00 0.00 C ATOM 756 CG1 VAL A 48 1.614 -9.165 4.980 1.00 0.00 C ATOM 757 CG2 VAL A 48 0.972 -11.387 4.025 1.00 0.00 C ATOM 0 H VAL A 48 -2.008 -11.154 5.172 1.00 0.00 H new ATOM 0 HA VAL A 48 0.485 -10.906 6.733 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.250 -9.649 4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.107 -8.931 4.036 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.222 -8.249 5.421 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.333 -9.618 5.662 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.476 -11.107 3.100 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.671 -11.915 4.674 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.128 -12.037 3.796 1.00 0.00 H new ATOM 767 N LYS A 49 -0.263 -8.665 7.655 1.00 0.00 N ATOM 768 CA LYS A 49 -0.752 -7.425 8.241 1.00 0.00 C ATOM 769 C LYS A 49 -0.161 -6.226 7.512 1.00 0.00 C ATOM 770 O LYS A 49 1.037 -6.198 7.232 1.00 0.00 O ATOM 771 CB LYS A 49 -0.388 -7.347 9.726 1.00 0.00 C ATOM 772 CG LYS A 49 0.147 -5.989 10.138 1.00 0.00 C ATOM 773 CD LYS A 49 0.502 -5.923 11.611 1.00 0.00 C ATOM 774 CE LYS A 49 -0.725 -5.822 12.492 1.00 0.00 C ATOM 775 NZ LYS A 49 -0.351 -5.722 13.927 1.00 0.00 N ATOM 0 H LYS A 49 0.573 -9.044 8.100 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.837 -7.410 8.141 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.270 -7.579 10.323 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.359 -8.108 9.951 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.031 -5.756 9.544 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.598 -5.226 9.913 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.072 -6.811 11.886 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.147 -5.062 11.789 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.311 -4.949 12.205 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.359 -6.696 12.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.140 -5.307 14.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.141 -6.671 14.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.490 -5.118 14.025 1.00 0.00 H new ATOM 789 N LEU A 50 -1.007 -5.254 7.188 1.00 0.00 N ATOM 790 CA LEU A 50 -0.546 -3.996 6.617 1.00 0.00 C ATOM 791 C LEU A 50 -1.142 -2.820 7.376 1.00 0.00 C ATOM 792 O LEU A 50 -2.336 -2.528 7.262 1.00 0.00 O ATOM 793 CB LEU A 50 -0.912 -3.879 5.135 1.00 0.00 C ATOM 794 CG LEU A 50 0.252 -3.982 4.144 1.00 0.00 C ATOM 795 CD1 LEU A 50 0.918 -5.342 4.226 1.00 0.00 C ATOM 796 CD2 LEU A 50 -0.233 -3.710 2.729 1.00 0.00 C ATOM 0 H LEU A 50 -2.018 -5.315 7.312 1.00 0.00 H new ATOM 0 HA LEU A 50 0.540 -3.980 6.705 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.635 -4.659 4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.412 -2.923 4.979 1.00 0.00 H new ATOM 0 HG LEU A 50 0.993 -3.228 4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.741 -5.388 3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.303 -5.499 5.234 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.190 -6.118 3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.605 -3.787 2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.995 -4.441 2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.657 -2.707 2.676 1.00 0.00 H new ATOM 808 N THR A 51 -0.321 -2.157 8.162 1.00 0.00 N ATOM 809 CA THR A 51 -0.717 -0.913 8.786 1.00 0.00 C ATOM 810 C THR A 51 0.030 0.229 8.112 1.00 0.00 C ATOM 811 O THR A 51 1.244 0.324 8.228 1.00 0.00 O ATOM 812 CB THR A 51 -0.404 -0.916 10.293 1.00 0.00 C ATOM 813 OG1 THR A 51 -0.949 -2.091 10.910 1.00 0.00 O ATOM 814 CG2 THR A 51 -0.980 0.318 10.953 1.00 0.00 C ATOM 0 H THR A 51 0.627 -2.460 8.384 1.00 0.00 H new ATOM 0 HA THR A 51 -1.794 -0.789 8.669 1.00 0.00 H new ATOM 0 HB THR A 51 0.679 -0.914 10.420 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.743 -2.083 11.868 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.750 0.302 12.018 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.544 1.209 10.502 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.061 0.333 10.815 1.00 0.00 H new ATOM 822 N ILE A 52 -0.694 1.098 7.420 1.00 0.00 N ATOM 823 CA ILE A 52 -0.061 2.105 6.579 1.00 0.00 C ATOM 824 C ILE A 52 -0.617 3.498 6.850 1.00 0.00 C ATOM 825 O ILE A 52 -1.830 3.704 6.862 1.00 0.00 O ATOM 826 CB ILE A 52 -0.233 1.786 5.087 1.00 0.00 C ATOM 827 CG1 ILE A 52 0.150 0.330 4.815 1.00 0.00 C ATOM 828 CG2 ILE A 52 0.619 2.736 4.253 1.00 0.00 C ATOM 829 CD1 ILE A 52 0.469 0.066 3.370 1.00 0.00 C ATOM 0 H ILE A 52 -1.714 1.127 7.424 1.00 0.00 H new ATOM 0 HA ILE A 52 0.999 2.088 6.831 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.278 1.923 4.807 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.014 0.067 5.426 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.669 -0.319 5.125 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.493 2.505 3.195 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.307 3.764 4.439 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.668 2.620 4.527 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.733 -0.984 3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.402 0.299 2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.307 0.691 3.062 1.00 0.00 H new ATOM 841 N THR A 53 0.277 4.447 7.070 1.00 0.00 N ATOM 842 CA THR A 53 -0.105 5.833 7.277 1.00 0.00 C ATOM 843 C THR A 53 0.124 6.644 6.004 1.00 0.00 C ATOM 844 O THR A 53 1.225 6.647 5.459 1.00 0.00 O ATOM 845 CB THR A 53 0.728 6.452 8.411 1.00 0.00 C ATOM 846 OG1 THR A 53 0.798 5.534 9.510 1.00 0.00 O ATOM 847 CG2 THR A 53 0.126 7.770 8.879 1.00 0.00 C ATOM 0 H THR A 53 1.282 4.280 7.110 1.00 0.00 H new ATOM 0 HA THR A 53 -1.162 5.855 7.541 1.00 0.00 H new ATOM 0 HB THR A 53 1.730 6.652 8.032 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.331 5.928 10.232 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.736 8.184 9.681 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.096 8.472 8.046 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.886 7.598 9.245 1.00 0.00 H new ATOM 855 N TYR A 54 -0.909 7.304 5.513 1.00 0.00 N ATOM 856 CA TYR A 54 -0.731 8.244 4.420 1.00 0.00 C ATOM 857 C TYR A 54 -0.953 9.651 4.935 1.00 0.00 C ATOM 858 O TYR A 54 -2.092 10.117 5.027 1.00 0.00 O ATOM 859 CB TYR A 54 -1.708 7.964 3.272 1.00 0.00 C ATOM 860 CG TYR A 54 -1.602 6.578 2.678 1.00 0.00 C ATOM 861 CD1 TYR A 54 -0.609 6.264 1.762 1.00 0.00 C ATOM 862 CD2 TYR A 54 -2.509 5.591 3.024 1.00 0.00 C ATOM 863 CE1 TYR A 54 -0.525 4.999 1.209 1.00 0.00 C ATOM 864 CE2 TYR A 54 -2.432 4.325 2.480 1.00 0.00 C ATOM 865 CZ TYR A 54 -1.441 4.034 1.573 1.00 0.00 C ATOM 866 OH TYR A 54 -1.368 2.772 1.029 1.00 0.00 O ATOM 0 H TYR A 54 -1.868 7.209 5.848 1.00 0.00 H new ATOM 0 HA TYR A 54 0.283 8.133 4.035 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.725 8.113 3.634 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.540 8.697 2.483 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.109 7.018 1.476 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -3.292 5.816 3.733 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.253 4.768 0.496 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -3.146 3.567 2.765 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.088 2.216 1.394 1.00 0.00 H new ATOM 876 N GLY A 55 0.143 10.328 5.244 1.00 0.00 N ATOM 877 CA GLY A 55 0.065 11.673 5.774 1.00 0.00 C ATOM 878 C GLY A 55 -0.647 11.722 7.115 1.00 0.00 C ATOM 879 O GLY A 55 -0.033 11.501 8.159 1.00 0.00 O ATOM 0 H GLY A 55 1.091 9.967 5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.071 12.077 5.884 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.459 12.312 5.063 1.00 0.00 H new ATOM 883 N SER A 56 -1.944 11.974 7.083 1.00 0.00 N ATOM 884 CA SER A 56 -2.724 12.110 8.300 1.00 0.00 C ATOM 885 C SER A 56 -3.412 10.804 8.703 1.00 0.00 C ATOM 886 O SER A 56 -3.314 10.385 9.857 1.00 0.00 O ATOM 887 CB SER A 56 -3.748 13.227 8.123 1.00 0.00 C ATOM 888 OG SER A 56 -4.288 13.213 6.812 1.00 0.00 O ATOM 0 H SER A 56 -2.481 12.089 6.223 1.00 0.00 H new ATOM 0 HA SER A 56 -2.040 12.362 9.110 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.550 13.110 8.852 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.278 14.191 8.317 1.00 0.00 H new ATOM 0 HG SER A 56 -4.943 13.936 6.720 1.00 0.00 H new ATOM 894 N LYS A 57 -4.085 10.142 7.760 1.00 0.00 N ATOM 895 CA LYS A 57 -4.875 8.961 8.103 1.00 0.00 C ATOM 896 C LYS A 57 -4.035 7.696 8.081 1.00 0.00 C ATOM 897 O LYS A 57 -3.026 7.601 7.377 1.00 0.00 O ATOM 898 CB LYS A 57 -6.054 8.766 7.169 1.00 0.00 C ATOM 899 CG LYS A 57 -6.901 9.992 6.972 1.00 0.00 C ATOM 900 CD LYS A 57 -8.365 9.644 7.088 1.00 0.00 C ATOM 901 CE LYS A 57 -9.231 10.656 6.369 1.00 0.00 C ATOM 902 NZ LYS A 57 -9.251 11.977 7.049 1.00 0.00 N ATOM 0 H LYS A 57 -4.099 10.397 6.773 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.244 9.140 9.113 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.682 8.437 6.199 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.682 7.965 7.559 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.640 10.746 7.715 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.700 10.427 5.993 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.539 8.652 6.671 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.648 9.602 8.140 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.866 10.782 5.350 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.249 10.273 6.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.858 12.632 6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.624 11.865 8.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.285 12.359 7.094 1.00 0.00 H new ATOM 916 N VAL A 58 -4.482 6.728 8.854 1.00 0.00 N ATOM 917 CA VAL A 58 -3.806 5.445 8.982 1.00 0.00 C ATOM 918 C VAL A 58 -4.757 4.297 8.665 1.00 0.00 C ATOM 919 O VAL A 58 -5.779 4.123 9.327 1.00 0.00 O ATOM 920 CB VAL A 58 -3.246 5.248 10.403 1.00 0.00 C ATOM 921 CG1 VAL A 58 -2.286 4.074 10.446 1.00 0.00 C ATOM 922 CG2 VAL A 58 -2.581 6.520 10.885 1.00 0.00 C ATOM 0 H VAL A 58 -5.329 6.806 9.416 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.982 5.445 8.269 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.073 5.021 11.076 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.903 3.954 11.459 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.808 3.166 10.145 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.456 4.258 9.764 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.189 6.367 11.891 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.763 6.780 10.213 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.311 7.329 10.899 1.00 0.00 H new ATOM 932 N ILE A 59 -4.429 3.535 7.640 1.00 0.00 N ATOM 933 CA ILE A 59 -5.193 2.366 7.270 1.00 0.00 C ATOM 934 C ILE A 59 -4.574 1.117 7.885 1.00 0.00 C ATOM 935 O ILE A 59 -3.401 0.824 7.661 1.00 0.00 O ATOM 936 CB ILE A 59 -5.239 2.210 5.736 1.00 0.00 C ATOM 937 CG1 ILE A 59 -5.863 3.444 5.080 1.00 0.00 C ATOM 938 CG2 ILE A 59 -6.006 0.965 5.346 1.00 0.00 C ATOM 939 CD1 ILE A 59 -4.960 4.656 5.012 1.00 0.00 C ATOM 0 H ILE A 59 -3.623 3.712 7.041 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.209 2.491 7.645 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.214 2.112 5.379 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.172 3.182 4.068 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.765 3.712 5.629 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.026 0.875 4.260 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.519 0.089 5.774 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.026 1.033 5.723 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.490 5.478 4.531 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.671 4.951 6.021 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.068 4.413 4.435 1.00 0.00 H new ATOM 951 N HIS A 60 -5.354 0.398 8.675 1.00 0.00 N ATOM 952 CA HIS A 60 -4.885 -0.833 9.302 1.00 0.00 C ATOM 953 C HIS A 60 -5.744 -2.012 8.852 1.00 0.00 C ATOM 954 O HIS A 60 -6.955 -2.023 9.077 1.00 0.00 O ATOM 955 CB HIS A 60 -4.909 -0.690 10.836 1.00 0.00 C ATOM 956 CG HIS A 60 -4.721 -1.981 11.582 1.00 0.00 C ATOM 957 ND1 HIS A 60 -5.459 -2.320 12.691 1.00 0.00 N ATOM 958 CD2 HIS A 60 -3.894 -3.026 11.354 1.00 0.00 C ATOM 959 CE1 HIS A 60 -5.098 -3.516 13.109 1.00 0.00 C ATOM 960 NE2 HIS A 60 -4.149 -3.975 12.314 1.00 0.00 N ATOM 0 H HIS A 60 -6.318 0.644 8.900 1.00 0.00 H new ATOM 0 HA HIS A 60 -3.857 -1.021 8.992 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -4.126 0.007 11.136 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -5.860 -0.248 11.133 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.165 -3.101 10.561 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -5.510 -4.035 13.961 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -3.685 -4.879 12.398 1.00 0.00 H new ATOM 969 N ASN A 61 -5.119 -2.993 8.210 1.00 0.00 N ATOM 970 CA ASN A 61 -5.829 -4.190 7.784 1.00 0.00 C ATOM 971 C ASN A 61 -4.876 -5.369 7.679 1.00 0.00 C ATOM 972 O ASN A 61 -3.684 -5.189 7.440 1.00 0.00 O ATOM 973 CB ASN A 61 -6.519 -3.959 6.433 1.00 0.00 C ATOM 974 CG ASN A 61 -5.535 -3.724 5.298 1.00 0.00 C ATOM 975 OD1 ASN A 61 -5.195 -2.466 5.059 1.00 0.00 O flip ATOM 976 ND2 ASN A 61 -5.095 -4.658 4.635 1.00 0.00 N flip ATOM 0 H ASN A 61 -4.127 -2.982 7.975 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.588 -4.415 8.533 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.140 -4.823 6.196 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.185 -3.100 6.513 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -5.380 -5.614 4.849 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -4.444 -4.479 3.870 1.00 0.00 H new ATOM 983 N GLU A 62 -5.395 -6.564 7.889 1.00 0.00 N ATOM 984 CA GLU A 62 -4.674 -7.770 7.548 1.00 0.00 C ATOM 985 C GLU A 62 -5.425 -8.485 6.440 1.00 0.00 C ATOM 986 O GLU A 62 -6.657 -8.474 6.410 1.00 0.00 O ATOM 987 CB GLU A 62 -4.502 -8.705 8.744 1.00 0.00 C ATOM 988 CG GLU A 62 -3.760 -8.098 9.921 1.00 0.00 C ATOM 989 CD GLU A 62 -4.672 -7.395 10.899 1.00 0.00 C ATOM 990 OE1 GLU A 62 -5.482 -8.084 11.556 1.00 0.00 O ATOM 991 OE2 GLU A 62 -4.566 -6.166 11.034 1.00 0.00 O ATOM 0 H GLU A 62 -6.317 -6.723 8.296 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.674 -7.487 7.220 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.487 -9.028 9.080 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.969 -9.597 8.417 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.214 -8.884 10.443 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.020 -7.389 9.550 1.00 0.00 H new ATOM 998 N PHE A 63 -4.696 -9.104 5.535 1.00 0.00 N ATOM 999 CA PHE A 63 -5.309 -9.746 4.390 1.00 0.00 C ATOM 1000 C PHE A 63 -4.771 -11.149 4.231 1.00 0.00 C ATOM 1001 O PHE A 63 -3.615 -11.411 4.532 1.00 0.00 O ATOM 1002 CB PHE A 63 -5.071 -8.928 3.120 1.00 0.00 C ATOM 1003 CG PHE A 63 -3.648 -8.489 2.920 1.00 0.00 C ATOM 1004 CD1 PHE A 63 -2.684 -9.357 2.428 1.00 0.00 C ATOM 1005 CD2 PHE A 63 -3.281 -7.199 3.225 1.00 0.00 C ATOM 1006 CE1 PHE A 63 -1.384 -8.938 2.243 1.00 0.00 C ATOM 1007 CE2 PHE A 63 -1.981 -6.769 3.044 1.00 0.00 C ATOM 1008 CZ PHE A 63 -1.030 -7.642 2.551 1.00 0.00 C ATOM 0 H PHE A 63 -3.679 -9.176 5.569 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.385 -9.803 4.557 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.380 -9.520 2.258 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.710 -8.045 3.146 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.956 -10.374 2.187 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.020 -6.513 3.611 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -0.644 -9.624 1.857 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.708 -5.753 3.287 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.012 -7.310 2.407 1.00 0.00 H new ATOM 1018 N THR A 64 -5.605 -12.042 3.745 1.00 0.00 N ATOM 1019 CA THR A 64 -5.267 -13.447 3.707 1.00 0.00 C ATOM 1020 C THR A 64 -4.928 -13.886 2.282 1.00 0.00 C ATOM 1021 O THR A 64 -5.668 -13.613 1.340 1.00 0.00 O ATOM 1022 CB THR A 64 -6.435 -14.280 4.235 1.00 0.00 C ATOM 1023 OG1 THR A 64 -6.960 -13.678 5.423 1.00 0.00 O ATOM 1024 CG2 THR A 64 -6.000 -15.696 4.536 1.00 0.00 C ATOM 0 H THR A 64 -6.526 -11.818 3.369 1.00 0.00 H new ATOM 0 HA THR A 64 -4.392 -13.605 4.338 1.00 0.00 H new ATOM 0 HB THR A 64 -7.206 -14.312 3.465 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.709 -14.214 5.757 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.850 -16.266 4.910 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.623 -16.162 3.626 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.213 -15.682 5.290 1.00 0.00 H new ATOM 1032 N LEU A 65 -3.797 -14.557 2.149 1.00 0.00 N ATOM 1033 CA LEU A 65 -3.297 -15.041 0.873 1.00 0.00 C ATOM 1034 C LEU A 65 -4.204 -16.093 0.244 1.00 0.00 C ATOM 1035 O LEU A 65 -4.501 -17.119 0.856 1.00 0.00 O ATOM 1036 CB LEU A 65 -1.923 -15.619 1.105 1.00 0.00 C ATOM 1037 CG LEU A 65 -0.761 -14.674 0.821 1.00 0.00 C ATOM 1038 CD1 LEU A 65 0.061 -15.279 -0.265 1.00 0.00 C ATOM 1039 CD2 LEU A 65 -1.253 -13.304 0.387 1.00 0.00 C ATOM 0 H LEU A 65 -3.190 -14.785 2.937 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.265 -14.205 0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.856 -15.949 2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.810 -16.505 0.481 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.174 -14.538 1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.903 -14.625 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.434 -16.251 0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.551 -15.405 -1.158 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.399 -12.655 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.848 -13.402 -0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.866 -12.870 1.177 1.00 0.00 H new ATOM 1051 N GLY A 66 -4.644 -15.825 -0.981 1.00 0.00 N ATOM 1052 CA GLY A 66 -5.472 -16.769 -1.707 1.00 0.00 C ATOM 1053 C GLY A 66 -6.840 -16.859 -1.107 1.00 0.00 C ATOM 1054 O GLY A 66 -7.606 -17.783 -1.387 1.00 0.00 O ATOM 0 H GLY A 66 -4.439 -14.963 -1.487 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.549 -16.463 -2.750 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.002 -17.752 -1.697 1.00 0.00 H new ATOM 1058 N GLU A 67 -7.137 -15.895 -0.271 1.00 0.00 N ATOM 1059 CA GLU A 67 -8.342 -15.919 0.494 1.00 0.00 C ATOM 1060 C GLU A 67 -9.034 -14.567 0.400 1.00 0.00 C ATOM 1061 O GLU A 67 -8.371 -13.526 0.378 1.00 0.00 O ATOM 1062 CB GLU A 67 -7.996 -16.272 1.941 1.00 0.00 C ATOM 1063 CG GLU A 67 -9.188 -16.404 2.869 1.00 0.00 C ATOM 1064 CD GLU A 67 -10.140 -17.493 2.433 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -11.035 -17.218 1.607 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -9.986 -18.637 2.903 1.00 0.00 O ATOM 0 H GLU A 67 -6.548 -15.078 -0.108 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.029 -16.671 0.105 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.443 -17.211 1.948 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.329 -15.506 2.337 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.837 -16.615 3.879 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.721 -15.454 2.909 1.00 0.00 H new ATOM 1073 N GLU A 68 -10.352 -14.577 0.324 1.00 0.00 N ATOM 1074 CA GLU A 68 -11.095 -13.337 0.225 1.00 0.00 C ATOM 1075 C GLU A 68 -11.068 -12.605 1.561 1.00 0.00 C ATOM 1076 O GLU A 68 -11.652 -13.052 2.550 1.00 0.00 O ATOM 1077 CB GLU A 68 -12.530 -13.577 -0.215 1.00 0.00 C ATOM 1078 CG GLU A 68 -13.234 -12.297 -0.605 1.00 0.00 C ATOM 1079 CD GLU A 68 -14.650 -12.521 -1.084 1.00 0.00 C ATOM 1080 OE1 GLU A 68 -15.529 -12.804 -0.249 1.00 0.00 O ATOM 1081 OE2 GLU A 68 -14.896 -12.409 -2.303 1.00 0.00 O ATOM 0 H GLU A 68 -10.924 -15.421 0.329 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.616 -12.719 -0.535 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.538 -14.265 -1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.079 -14.059 0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.249 -11.622 0.251 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.665 -11.802 -1.392 1.00 0.00 H new ATOM 1088 N CYS A 69 -10.375 -11.488 1.571 1.00 0.00 N ATOM 1089 CA CYS A 69 -10.210 -10.669 2.749 1.00 0.00 C ATOM 1090 C CYS A 69 -10.905 -9.338 2.545 1.00 0.00 C ATOM 1091 O CYS A 69 -10.943 -8.813 1.440 1.00 0.00 O ATOM 1092 CB CYS A 69 -8.727 -10.446 3.023 1.00 0.00 C ATOM 1093 SG CYS A 69 -7.667 -10.745 1.587 1.00 0.00 S ATOM 0 H CYS A 69 -9.903 -11.118 0.746 1.00 0.00 H new ATOM 0 HA CYS A 69 -10.654 -11.177 3.605 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -8.580 -9.421 3.365 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -8.415 -11.101 3.836 1.00 0.00 H new ATOM 0 HG CYS A 69 -7.950 -11.905 1.073 1.00 0.00 H new ATOM 1099 N GLU A 70 -11.455 -8.786 3.596 1.00 0.00 N ATOM 1100 CA GLU A 70 -12.131 -7.522 3.480 1.00 0.00 C ATOM 1101 C GLU A 70 -11.176 -6.389 3.789 1.00 0.00 C ATOM 1102 O GLU A 70 -10.555 -6.349 4.850 1.00 0.00 O ATOM 1103 CB GLU A 70 -13.331 -7.484 4.407 1.00 0.00 C ATOM 1104 CG GLU A 70 -14.527 -8.215 3.859 1.00 0.00 C ATOM 1105 CD GLU A 70 -15.591 -8.459 4.905 1.00 0.00 C ATOM 1106 OE1 GLU A 70 -16.235 -7.487 5.344 1.00 0.00 O ATOM 1107 OE2 GLU A 70 -15.789 -9.627 5.292 1.00 0.00 O ATOM 0 H GLU A 70 -11.448 -9.188 4.533 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.485 -7.402 2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.055 -7.921 5.367 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.603 -6.446 4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.955 -7.639 3.039 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.205 -9.170 3.444 1.00 0.00 H new ATOM 1114 N LEU A 71 -11.067 -5.481 2.846 1.00 0.00 N ATOM 1115 CA LEU A 71 -10.106 -4.402 2.912 1.00 0.00 C ATOM 1116 C LEU A 71 -10.767 -3.076 3.168 1.00 0.00 C ATOM 1117 O LEU A 71 -11.812 -2.774 2.615 1.00 0.00 O ATOM 1118 CB LEU A 71 -9.352 -4.303 1.612 1.00 0.00 C ATOM 1119 CG LEU A 71 -8.348 -5.430 1.348 1.00 0.00 C ATOM 1120 CD1 LEU A 71 -7.566 -5.163 0.078 1.00 0.00 C ATOM 1121 CD2 LEU A 71 -7.404 -5.594 2.526 1.00 0.00 C ATOM 0 H LEU A 71 -11.646 -5.470 2.006 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.431 -4.627 3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.072 -4.282 0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.819 -3.352 1.592 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.905 -6.358 1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.859 -5.975 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.253 -5.099 -0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.023 -4.223 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.699 -6.399 2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.857 -4.665 2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.977 -5.836 3.421 1.00 0.00 H new ATOM 1133 N GLU A 72 -10.103 -2.268 3.944 1.00 0.00 N ATOM 1134 CA GLU A 72 -10.644 -0.991 4.367 1.00 0.00 C ATOM 1135 C GLU A 72 -9.742 0.134 3.894 1.00 0.00 C ATOM 1136 O GLU A 72 -8.522 0.038 3.984 1.00 0.00 O ATOM 1137 CB GLU A 72 -10.784 -0.945 5.887 1.00 0.00 C ATOM 1138 CG GLU A 72 -11.457 0.317 6.398 1.00 0.00 C ATOM 1139 CD GLU A 72 -11.526 0.365 7.907 1.00 0.00 C ATOM 1140 OE1 GLU A 72 -12.410 -0.300 8.485 1.00 0.00 O ATOM 1141 OE2 GLU A 72 -10.699 1.070 8.522 1.00 0.00 O ATOM 0 H GLU A 72 -9.171 -2.468 4.306 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.633 -0.868 3.925 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.357 -1.811 6.217 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.795 -1.027 6.337 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.912 1.188 6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.466 0.378 5.989 1.00 0.00 H new ATOM 1148 N THR A 73 -10.339 1.182 3.360 1.00 0.00 N ATOM 1149 CA THR A 73 -9.585 2.317 2.874 1.00 0.00 C ATOM 1150 C THR A 73 -9.551 3.457 3.888 1.00 0.00 C ATOM 1151 O THR A 73 -10.062 3.332 5.002 1.00 0.00 O ATOM 1152 CB THR A 73 -10.185 2.823 1.555 1.00 0.00 C ATOM 1153 OG1 THR A 73 -11.553 3.196 1.759 1.00 0.00 O ATOM 1154 CG2 THR A 73 -10.110 1.739 0.501 1.00 0.00 C ATOM 0 H THR A 73 -11.350 1.269 3.252 1.00 0.00 H new ATOM 0 HA THR A 73 -8.561 1.981 2.712 1.00 0.00 H new ATOM 0 HB THR A 73 -9.617 3.690 1.218 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.098 2.390 1.873 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.538 2.108 -0.431 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.069 1.462 0.337 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.669 0.866 0.837 1.00 0.00 H new ATOM 1162 N MET A 74 -8.963 4.577 3.477 1.00 0.00 N ATOM 1163 CA MET A 74 -8.839 5.752 4.334 1.00 0.00 C ATOM 1164 C MET A 74 -10.160 6.507 4.432 1.00 0.00 C ATOM 1165 O MET A 74 -10.262 7.498 5.154 1.00 0.00 O ATOM 1166 CB MET A 74 -7.716 6.677 3.831 1.00 0.00 C ATOM 1167 CG MET A 74 -7.809 7.055 2.355 1.00 0.00 C ATOM 1168 SD MET A 74 -9.087 8.279 2.001 1.00 0.00 S ATOM 1169 CE MET A 74 -8.456 9.704 2.886 1.00 0.00 C ATOM 0 H MET A 74 -8.562 4.696 2.547 1.00 0.00 H new ATOM 0 HA MET A 74 -8.578 5.409 5.335 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.723 7.590 4.426 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.757 6.189 4.007 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.845 7.443 2.027 1.00 0.00 H new ATOM 0 HG3 MET A 74 -8.006 6.157 1.770 1.00 0.00 H new ATOM 0 HE1 MET A 74 -9.264 10.417 3.051 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.052 9.386 3.847 1.00 0.00 H new ATOM 0 HE3 MET A 74 -7.668 10.177 2.300 1.00 0.00 H new ATOM 1179 N THR A 75 -11.171 6.029 3.718 1.00 0.00 N ATOM 1180 CA THR A 75 -12.465 6.682 3.714 1.00 0.00 C ATOM 1181 C THR A 75 -13.334 6.046 4.784 1.00 0.00 C ATOM 1182 O THR A 75 -14.294 6.640 5.278 1.00 0.00 O ATOM 1183 CB THR A 75 -13.171 6.547 2.347 1.00 0.00 C ATOM 1184 OG1 THR A 75 -13.813 5.269 2.239 1.00 0.00 O ATOM 1185 CG2 THR A 75 -12.180 6.702 1.209 1.00 0.00 C ATOM 0 H THR A 75 -11.116 5.193 3.137 1.00 0.00 H new ATOM 0 HA THR A 75 -12.313 7.743 3.911 1.00 0.00 H new ATOM 0 HB THR A 75 -13.918 7.338 2.280 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.783 5.394 2.183 1.00 0.00 H new ATOM 0 HG21 THR A 75 -12.701 6.603 0.257 1.00 0.00 H new ATOM 0 HG22 THR A 75 -11.711 7.685 1.266 1.00 0.00 H new ATOM 0 HG23 THR A 75 -11.414 5.930 1.286 1.00 0.00 H new ATOM 1193 N GLY A 76 -12.962 4.828 5.144 1.00 0.00 N ATOM 1194 CA GLY A 76 -13.709 4.068 6.110 1.00 0.00 C ATOM 1195 C GLY A 76 -14.481 2.944 5.454 1.00 0.00 C ATOM 1196 O GLY A 76 -14.888 1.991 6.116 1.00 0.00 O ATOM 0 H GLY A 76 -12.141 4.350 4.774 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -13.029 3.657 6.856 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -14.400 4.726 6.637 1.00 0.00 H new ATOM 1200 N GLU A 77 -14.678 3.052 4.145 1.00 0.00 N ATOM 1201 CA GLU A 77 -15.403 2.033 3.402 1.00 0.00 C ATOM 1202 C GLU A 77 -14.533 0.831 3.113 1.00 0.00 C ATOM 1203 O GLU A 77 -13.425 0.945 2.572 1.00 0.00 O ATOM 1204 CB GLU A 77 -15.981 2.590 2.112 1.00 0.00 C ATOM 1205 CG GLU A 77 -17.305 3.298 2.313 1.00 0.00 C ATOM 1206 CD GLU A 77 -17.179 4.577 3.115 1.00 0.00 C ATOM 1207 OE1 GLU A 77 -16.393 5.463 2.716 1.00 0.00 O ATOM 1208 OE2 GLU A 77 -17.860 4.704 4.152 1.00 0.00 O ATOM 0 H GLU A 77 -14.346 3.833 3.579 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.230 1.709 4.033 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.267 3.285 1.671 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.115 1.776 1.399 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -17.739 3.528 1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -17.997 2.625 2.820 1.00 0.00 H new ATOM 1215 N LYS A 78 -15.039 -0.310 3.518 1.00 0.00 N ATOM 1216 CA LYS A 78 -14.340 -1.559 3.377 1.00 0.00 C ATOM 1217 C LYS A 78 -15.008 -2.472 2.348 1.00 0.00 C ATOM 1218 O LYS A 78 -16.236 -2.545 2.256 1.00 0.00 O ATOM 1219 CB LYS A 78 -14.234 -2.215 4.742 1.00 0.00 C ATOM 1220 CG LYS A 78 -13.790 -3.654 4.712 1.00 0.00 C ATOM 1221 CD LYS A 78 -14.948 -4.591 5.023 1.00 0.00 C ATOM 1222 CE LYS A 78 -15.645 -4.225 6.327 1.00 0.00 C ATOM 1223 NZ LYS A 78 -14.785 -4.454 7.521 1.00 0.00 N ATOM 0 H LYS A 78 -15.955 -0.395 3.958 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.337 -1.370 2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -13.533 -1.645 5.352 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -15.205 -2.158 5.235 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -13.380 -3.891 3.730 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.990 -3.806 5.437 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -15.669 -4.560 4.206 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -14.579 -5.615 5.084 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -15.942 -3.177 6.294 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -16.558 -4.812 6.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.307 -4.189 8.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -14.522 -5.459 7.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.925 -3.874 7.446 1.00 0.00 H new ATOM 1237 N VAL A 79 -14.175 -3.159 1.583 1.00 0.00 N ATOM 1238 CA VAL A 79 -14.614 -4.003 0.487 1.00 0.00 C ATOM 1239 C VAL A 79 -13.936 -5.379 0.537 1.00 0.00 C ATOM 1240 O VAL A 79 -12.744 -5.481 0.816 1.00 0.00 O ATOM 1241 CB VAL A 79 -14.296 -3.321 -0.854 1.00 0.00 C ATOM 1242 CG1 VAL A 79 -12.818 -3.010 -0.961 1.00 0.00 C ATOM 1243 CG2 VAL A 79 -14.752 -4.183 -1.999 1.00 0.00 C ATOM 0 H VAL A 79 -13.163 -3.145 1.709 1.00 0.00 H new ATOM 0 HA VAL A 79 -15.690 -4.148 0.582 1.00 0.00 H new ATOM 0 HB VAL A 79 -14.839 -2.377 -0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.616 -2.528 -1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -12.527 -2.343 -0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.246 -3.935 -0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.521 -3.688 -2.942 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.239 -5.144 -1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -15.828 -4.343 -1.928 1.00 0.00 H new ATOM 1253 N LYS A 80 -14.710 -6.435 0.288 1.00 0.00 N ATOM 1254 CA LYS A 80 -14.149 -7.771 0.105 1.00 0.00 C ATOM 1255 C LYS A 80 -13.257 -7.825 -1.119 1.00 0.00 C ATOM 1256 O LYS A 80 -13.680 -7.506 -2.231 1.00 0.00 O ATOM 1257 CB LYS A 80 -15.252 -8.813 -0.064 1.00 0.00 C ATOM 1258 CG LYS A 80 -15.939 -9.177 1.218 1.00 0.00 C ATOM 1259 CD LYS A 80 -17.142 -10.072 0.979 1.00 0.00 C ATOM 1260 CE LYS A 80 -18.163 -9.409 0.075 1.00 0.00 C ATOM 1261 NZ LYS A 80 -19.289 -10.325 -0.242 1.00 0.00 N ATOM 0 H LYS A 80 -15.726 -6.390 0.209 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.565 -7.993 0.999 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.993 -8.434 -0.768 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -14.824 -9.713 -0.505 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.234 -9.684 1.877 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -16.258 -8.269 1.730 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -16.814 -11.010 0.531 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.607 -10.319 1.933 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -18.549 -8.511 0.558 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.680 -9.092 -0.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -19.968 -9.839 -0.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -18.923 -11.171 -0.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -19.765 -10.608 0.638 1.00 0.00 H new ATOM 1275 N ALA A 81 -12.032 -8.243 -0.895 1.00 0.00 N ATOM 1276 CA ALA A 81 -11.047 -8.378 -1.962 1.00 0.00 C ATOM 1277 C ALA A 81 -10.212 -9.640 -1.780 1.00 0.00 C ATOM 1278 O ALA A 81 -10.148 -10.198 -0.692 1.00 0.00 O ATOM 1279 CB ALA A 81 -10.147 -7.156 -2.001 1.00 0.00 C ATOM 0 H ALA A 81 -11.683 -8.501 0.028 1.00 0.00 H new ATOM 0 HA ALA A 81 -11.581 -8.458 -2.909 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.416 -7.268 -2.801 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -10.750 -6.266 -2.182 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.629 -7.055 -1.047 1.00 0.00 H new ATOM 1285 N VAL A 82 -9.581 -10.101 -2.843 1.00 0.00 N ATOM 1286 CA VAL A 82 -8.750 -11.294 -2.771 1.00 0.00 C ATOM 1287 C VAL A 82 -7.308 -10.980 -3.154 1.00 0.00 C ATOM 1288 O VAL A 82 -7.037 -10.516 -4.262 1.00 0.00 O ATOM 1289 CB VAL A 82 -9.291 -12.411 -3.678 1.00 0.00 C ATOM 1290 CG1 VAL A 82 -8.509 -13.690 -3.470 1.00 0.00 C ATOM 1291 CG2 VAL A 82 -10.733 -12.669 -3.355 1.00 0.00 C ATOM 0 H VAL A 82 -9.626 -9.670 -3.767 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.777 -11.641 -1.738 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.189 -12.092 -4.715 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.906 -14.469 -4.120 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.460 -13.518 -3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.597 -14.005 -2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.114 -13.461 -3.999 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -10.823 -12.974 -2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.311 -11.759 -3.518 1.00 0.00 H new ATOM 1301 N VAL A 83 -6.389 -11.219 -2.226 1.00 0.00 N ATOM 1302 CA VAL A 83 -4.971 -10.986 -2.469 1.00 0.00 C ATOM 1303 C VAL A 83 -4.194 -12.299 -2.512 1.00 0.00 C ATOM 1304 O VAL A 83 -4.262 -13.117 -1.592 1.00 0.00 O ATOM 1305 CB VAL A 83 -4.364 -10.056 -1.407 1.00 0.00 C ATOM 1306 CG1 VAL A 83 -4.559 -10.632 -0.032 1.00 0.00 C ATOM 1307 CG2 VAL A 83 -2.893 -9.805 -1.688 1.00 0.00 C ATOM 0 H VAL A 83 -6.602 -11.576 -1.294 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.890 -10.500 -3.441 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.881 -9.097 -1.452 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.123 -9.961 0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.625 -10.748 0.166 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.071 -11.605 0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.484 -9.144 -0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.353 -10.752 -1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.784 -9.338 -2.667 1.00 0.00 H new ATOM 1317 N LYS A 84 -3.491 -12.516 -3.606 1.00 0.00 N ATOM 1318 CA LYS A 84 -2.625 -13.670 -3.733 1.00 0.00 C ATOM 1319 C LYS A 84 -1.379 -13.305 -4.525 1.00 0.00 C ATOM 1320 O LYS A 84 -1.314 -12.235 -5.131 1.00 0.00 O ATOM 1321 CB LYS A 84 -3.322 -14.881 -4.326 1.00 0.00 C ATOM 1322 CG LYS A 84 -2.729 -16.160 -3.783 1.00 0.00 C ATOM 1323 CD LYS A 84 -2.333 -17.106 -4.903 1.00 0.00 C ATOM 1324 CE LYS A 84 -1.622 -18.336 -4.369 1.00 0.00 C ATOM 1325 NZ LYS A 84 -1.113 -19.200 -5.465 1.00 0.00 N ATOM 0 H LYS A 84 -3.503 -11.905 -4.423 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.334 -13.963 -2.724 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.387 -14.842 -4.096 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.229 -14.864 -5.412 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.855 -15.928 -3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.451 -16.649 -3.130 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.222 -17.410 -5.455 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.683 -16.586 -5.607 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.792 -18.028 -3.734 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.307 -18.908 -3.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.634 -20.029 -5.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.908 -19.515 -6.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.440 -18.662 -6.047 1.00 0.00 H new ATOM 1339 N MET A 85 -0.396 -14.193 -4.518 1.00 0.00 N ATOM 1340 CA MET A 85 0.946 -13.869 -4.877 1.00 0.00 C ATOM 1341 C MET A 85 1.106 -13.804 -6.372 1.00 0.00 C ATOM 1342 O MET A 85 0.605 -14.657 -7.106 1.00 0.00 O ATOM 1343 CB MET A 85 1.859 -14.964 -4.343 1.00 0.00 C ATOM 1344 CG MET A 85 1.479 -15.505 -2.979 1.00 0.00 C ATOM 1345 SD MET A 85 2.414 -16.980 -2.526 1.00 0.00 S ATOM 1346 CE MET A 85 2.193 -17.995 -3.985 1.00 0.00 C ATOM 0 H MET A 85 -0.527 -15.170 -4.256 1.00 0.00 H new ATOM 0 HA MET A 85 1.199 -12.896 -4.456 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.867 -15.789 -5.055 1.00 0.00 H new ATOM 0 HB3 MET A 85 2.876 -14.576 -4.293 1.00 0.00 H new ATOM 0 HG2 MET A 85 1.643 -14.732 -2.228 1.00 0.00 H new ATOM 0 HG3 MET A 85 0.414 -15.738 -2.970 1.00 0.00 H new ATOM 0 HE1 MET A 85 2.181 -19.047 -3.698 1.00 0.00 H new ATOM 0 HE2 MET A 85 1.249 -17.739 -4.466 1.00 0.00 H new ATOM 0 HE3 MET A 85 3.014 -17.818 -4.679 1.00 0.00 H new ATOM 1356 N GLU A 86 1.790 -12.775 -6.812 1.00 0.00 N ATOM 1357 CA GLU A 86 2.135 -12.642 -8.198 1.00 0.00 C ATOM 1358 C GLU A 86 3.572 -13.086 -8.342 1.00 0.00 C ATOM 1359 O GLU A 86 4.386 -12.845 -7.448 1.00 0.00 O ATOM 1360 CB GLU A 86 1.925 -11.211 -8.659 1.00 0.00 C ATOM 1361 CG GLU A 86 1.679 -11.104 -10.150 1.00 0.00 C ATOM 1362 CD GLU A 86 1.283 -9.707 -10.583 1.00 0.00 C ATOM 1363 OE1 GLU A 86 2.177 -8.865 -10.810 1.00 0.00 O ATOM 1364 OE2 GLU A 86 0.067 -9.446 -10.697 1.00 0.00 O ATOM 0 H GLU A 86 2.119 -12.013 -6.219 1.00 0.00 H new ATOM 0 HA GLU A 86 1.498 -13.261 -8.830 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.077 -10.783 -8.124 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.801 -10.617 -8.396 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.581 -11.403 -10.684 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.893 -11.804 -10.435 1.00 0.00 H new ATOM 1371 N GLY A 87 3.863 -13.770 -9.432 1.00 0.00 N ATOM 1372 CA GLY A 87 5.115 -14.495 -9.544 1.00 0.00 C ATOM 1373 C GLY A 87 6.315 -13.619 -9.716 1.00 0.00 C ATOM 1374 O GLY A 87 6.880 -13.486 -10.805 1.00 0.00 O ATOM 0 H GLY A 87 3.254 -13.839 -10.248 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.250 -15.106 -8.652 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.052 -15.178 -10.391 1.00 0.00 H new ATOM 1378 N ASP A 88 6.699 -13.049 -8.617 1.00 0.00 N ATOM 1379 CA ASP A 88 7.868 -12.227 -8.532 1.00 0.00 C ATOM 1380 C ASP A 88 8.371 -12.206 -7.098 1.00 0.00 C ATOM 1381 O ASP A 88 9.303 -12.926 -6.747 1.00 0.00 O ATOM 1382 CB ASP A 88 7.542 -10.809 -8.998 1.00 0.00 C ATOM 1383 CG ASP A 88 8.769 -10.050 -9.459 1.00 0.00 C ATOM 1384 OD1 ASP A 88 9.450 -9.445 -8.612 1.00 0.00 O ATOM 1385 OD2 ASP A 88 9.045 -10.046 -10.678 1.00 0.00 O ATOM 0 H ASP A 88 6.198 -13.144 -7.734 1.00 0.00 H new ATOM 0 HA ASP A 88 8.646 -12.636 -9.177 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.821 -10.856 -9.814 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.067 -10.263 -8.183 1.00 0.00 H new ATOM 1390 N ASN A 89 7.680 -11.444 -6.258 1.00 0.00 N ATOM 1391 CA ASN A 89 8.190 -11.090 -4.919 1.00 0.00 C ATOM 1392 C ASN A 89 7.087 -10.933 -3.880 1.00 0.00 C ATOM 1393 O ASN A 89 7.298 -11.212 -2.705 1.00 0.00 O ATOM 1394 CB ASN A 89 9.028 -9.814 -4.998 1.00 0.00 C ATOM 1395 CG ASN A 89 10.530 -10.060 -5.140 1.00 0.00 C ATOM 1396 OD1 ASN A 89 11.339 -9.197 -4.810 1.00 0.00 O ATOM 1397 ND2 ASN A 89 10.920 -11.230 -5.613 1.00 0.00 N ATOM 0 H ASN A 89 6.762 -11.054 -6.472 1.00 0.00 H new ATOM 0 HA ASN A 89 8.812 -11.922 -4.589 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.687 -9.220 -5.846 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.851 -9.220 -4.101 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.914 -11.434 -5.712 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.227 -11.929 -5.880 1.00 0.00 H new ATOM 1404 N LYS A 90 5.958 -10.394 -4.289 1.00 0.00 N ATOM 1405 CA LYS A 90 4.817 -10.202 -3.396 1.00 0.00 C ATOM 1406 C LYS A 90 3.481 -10.297 -4.122 1.00 0.00 C ATOM 1407 O LYS A 90 3.429 -10.509 -5.332 1.00 0.00 O ATOM 1408 CB LYS A 90 4.909 -8.948 -2.564 1.00 0.00 C ATOM 1409 CG LYS A 90 5.511 -9.158 -1.199 1.00 0.00 C ATOM 1410 CD LYS A 90 4.749 -8.409 -0.116 1.00 0.00 C ATOM 1411 CE LYS A 90 3.329 -8.926 0.033 1.00 0.00 C ATOM 1412 NZ LYS A 90 2.667 -8.393 1.253 1.00 0.00 N ATOM 0 H LYS A 90 5.798 -10.075 -5.245 1.00 0.00 H new ATOM 0 HA LYS A 90 4.863 -11.036 -2.696 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.504 -8.211 -3.102 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.910 -8.528 -2.448 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.518 -10.223 -0.966 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.549 -8.827 -1.206 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.274 -8.509 0.834 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.726 -7.346 -0.357 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.748 -8.647 -0.846 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.342 -10.015 0.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.814 -8.952 1.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.322 -8.454 2.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.401 -7.400 1.098 1.00 0.00 H new ATOM 1426 N MET A 91 2.406 -10.162 -3.358 1.00 0.00 N ATOM 1427 CA MET A 91 1.067 -10.505 -3.806 1.00 0.00 C ATOM 1428 C MET A 91 0.292 -9.246 -4.162 1.00 0.00 C ATOM 1429 O MET A 91 0.540 -8.174 -3.613 1.00 0.00 O ATOM 1430 CB MET A 91 0.297 -11.208 -2.685 1.00 0.00 C ATOM 1431 CG MET A 91 0.994 -12.425 -2.121 1.00 0.00 C ATOM 1432 SD MET A 91 2.334 -11.990 -0.983 1.00 0.00 S ATOM 1433 CE MET A 91 3.124 -13.573 -0.710 1.00 0.00 C ATOM 0 H MET A 91 2.441 -9.808 -2.402 1.00 0.00 H new ATOM 0 HA MET A 91 1.165 -11.156 -4.674 1.00 0.00 H new ATOM 0 HB2 MET A 91 0.123 -10.496 -1.878 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.681 -11.506 -3.063 1.00 0.00 H new ATOM 0 HG2 MET A 91 0.267 -13.048 -1.600 1.00 0.00 H new ATOM 0 HG3 MET A 91 1.396 -13.022 -2.940 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.124 -13.416 -0.305 1.00 0.00 H new ATOM 0 HE2 MET A 91 2.534 -14.157 -0.003 1.00 0.00 H new ATOM 0 HE3 MET A 91 3.196 -14.112 -1.655 1.00 0.00 H new ATOM 1443 N VAL A 92 -0.643 -9.397 -5.085 1.00 0.00 N ATOM 1444 CA VAL A 92 -1.414 -8.278 -5.606 1.00 0.00 C ATOM 1445 C VAL A 92 -2.858 -8.370 -5.130 1.00 0.00 C ATOM 1446 O VAL A 92 -3.427 -9.462 -5.067 1.00 0.00 O ATOM 1447 CB VAL A 92 -1.366 -8.268 -7.152 1.00 0.00 C ATOM 1448 CG1 VAL A 92 -2.362 -7.280 -7.741 1.00 0.00 C ATOM 1449 CG2 VAL A 92 0.036 -7.943 -7.638 1.00 0.00 C ATOM 0 H VAL A 92 -0.890 -10.298 -5.495 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.978 -7.351 -5.235 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.642 -9.266 -7.493 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.297 -7.303 -8.829 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.371 -7.552 -7.432 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.132 -6.276 -7.385 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.052 -7.940 -8.728 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.331 -6.961 -7.268 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.733 -8.694 -7.267 1.00 0.00 H new ATOM 1459 N THR A 93 -3.444 -7.232 -4.783 1.00 0.00 N ATOM 1460 CA THR A 93 -4.816 -7.205 -4.319 1.00 0.00 C ATOM 1461 C THR A 93 -5.586 -6.082 -5.002 1.00 0.00 C ATOM 1462 O THR A 93 -5.099 -4.959 -5.138 1.00 0.00 O ATOM 1463 CB THR A 93 -4.903 -7.061 -2.778 1.00 0.00 C ATOM 1464 OG1 THR A 93 -6.274 -6.985 -2.364 1.00 0.00 O ATOM 1465 CG2 THR A 93 -4.150 -5.832 -2.290 1.00 0.00 C ATOM 0 H THR A 93 -2.988 -6.320 -4.815 1.00 0.00 H new ATOM 0 HA THR A 93 -5.270 -8.160 -4.584 1.00 0.00 H new ATOM 0 HB THR A 93 -4.438 -7.942 -2.336 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.565 -7.861 -2.035 1.00 0.00 H new ATOM 0 HG21 THR A 93 -4.232 -5.762 -1.205 1.00 0.00 H new ATOM 0 HG22 THR A 93 -3.100 -5.914 -2.570 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.578 -4.939 -2.745 1.00 0.00 H new ATOM 1473 N THR A 94 -6.769 -6.413 -5.479 1.00 0.00 N ATOM 1474 CA THR A 94 -7.644 -5.441 -6.100 1.00 0.00 C ATOM 1475 C THR A 94 -8.844 -5.190 -5.189 1.00 0.00 C ATOM 1476 O THR A 94 -9.550 -6.125 -4.824 1.00 0.00 O ATOM 1477 CB THR A 94 -8.102 -5.942 -7.476 1.00 0.00 C ATOM 1478 OG1 THR A 94 -6.964 -6.410 -8.211 1.00 0.00 O ATOM 1479 CG2 THR A 94 -8.793 -4.847 -8.270 1.00 0.00 C ATOM 0 H THR A 94 -7.149 -7.359 -5.447 1.00 0.00 H new ATOM 0 HA THR A 94 -7.105 -4.505 -6.244 1.00 0.00 H new ATOM 0 HB THR A 94 -8.817 -6.750 -7.320 1.00 0.00 H new ATOM 0 HG1 THR A 94 -7.253 -6.733 -9.090 1.00 0.00 H new ATOM 0 HG21 THR A 94 -9.103 -5.240 -9.238 1.00 0.00 H new ATOM 0 HG22 THR A 94 -9.669 -4.498 -7.723 1.00 0.00 H new ATOM 0 HG23 THR A 94 -8.104 -4.016 -8.419 1.00 0.00 H new ATOM 1487 N PHE A 95 -9.086 -3.934 -4.835 1.00 0.00 N ATOM 1488 CA PHE A 95 -10.112 -3.608 -3.853 1.00 0.00 C ATOM 1489 C PHE A 95 -10.737 -2.267 -4.179 1.00 0.00 C ATOM 1490 O PHE A 95 -10.064 -1.371 -4.675 1.00 0.00 O ATOM 1491 CB PHE A 95 -9.530 -3.594 -2.433 1.00 0.00 C ATOM 1492 CG PHE A 95 -8.477 -2.545 -2.191 1.00 0.00 C ATOM 1493 CD1 PHE A 95 -7.137 -2.820 -2.419 1.00 0.00 C ATOM 1494 CD2 PHE A 95 -8.827 -1.289 -1.718 1.00 0.00 C ATOM 1495 CE1 PHE A 95 -6.168 -1.864 -2.185 1.00 0.00 C ATOM 1496 CE2 PHE A 95 -7.860 -0.329 -1.479 1.00 0.00 C ATOM 1497 CZ PHE A 95 -6.530 -0.618 -1.713 1.00 0.00 C ATOM 0 H PHE A 95 -8.588 -3.127 -5.212 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.882 -4.378 -3.895 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -10.344 -3.442 -1.724 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.102 -4.574 -2.222 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.847 -3.794 -2.784 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.866 -1.058 -1.534 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.129 -2.091 -2.371 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.145 0.645 -1.110 1.00 0.00 H new ATOM 0 HZ PHE A 95 -5.774 0.130 -1.527 1.00 0.00 H new ATOM 1507 N LYS A 96 -12.036 -2.146 -3.913 1.00 0.00 N ATOM 1508 CA LYS A 96 -12.825 -1.002 -4.367 1.00 0.00 C ATOM 1509 C LYS A 96 -12.713 -0.825 -5.874 1.00 0.00 C ATOM 1510 O LYS A 96 -13.025 0.232 -6.420 1.00 0.00 O ATOM 1511 CB LYS A 96 -12.411 0.262 -3.648 1.00 0.00 C ATOM 1512 CG LYS A 96 -13.001 0.339 -2.261 1.00 0.00 C ATOM 1513 CD LYS A 96 -12.732 1.675 -1.636 1.00 0.00 C ATOM 1514 CE LYS A 96 -13.438 2.799 -2.376 1.00 0.00 C ATOM 1515 NZ LYS A 96 -14.910 2.772 -2.169 1.00 0.00 N ATOM 0 H LYS A 96 -12.569 -2.833 -3.380 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.869 -1.202 -4.126 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.324 0.303 -3.583 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.729 1.129 -4.226 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.076 0.166 -2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.579 -0.450 -1.638 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.060 1.662 -0.597 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.658 1.863 -1.629 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -13.043 3.757 -2.039 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.221 2.722 -3.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.338 3.613 -2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.306 1.915 -2.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.117 2.770 -1.150 1.00 0.00 H new ATOM 1529 N GLY A 97 -12.241 -1.872 -6.531 1.00 0.00 N ATOM 1530 CA GLY A 97 -12.097 -1.849 -7.969 1.00 0.00 C ATOM 1531 C GLY A 97 -10.717 -1.401 -8.402 1.00 0.00 C ATOM 1532 O GLY A 97 -10.380 -1.469 -9.585 1.00 0.00 O ATOM 0 H GLY A 97 -11.953 -2.745 -6.088 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.295 -2.844 -8.368 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.844 -1.180 -8.396 1.00 0.00 H new ATOM 1536 N ILE A 98 -9.912 -0.939 -7.454 1.00 0.00 N ATOM 1537 CA ILE A 98 -8.572 -0.485 -7.769 1.00 0.00 C ATOM 1538 C ILE A 98 -7.587 -1.620 -7.550 1.00 0.00 C ATOM 1539 O ILE A 98 -7.756 -2.432 -6.643 1.00 0.00 O ATOM 1540 CB ILE A 98 -8.167 0.774 -6.959 1.00 0.00 C ATOM 1541 CG1 ILE A 98 -7.914 0.464 -5.481 1.00 0.00 C ATOM 1542 CG2 ILE A 98 -9.251 1.831 -7.072 1.00 0.00 C ATOM 1543 CD1 ILE A 98 -6.480 0.113 -5.163 1.00 0.00 C ATOM 0 H ILE A 98 -10.165 -0.871 -6.468 1.00 0.00 H new ATOM 0 HA ILE A 98 -8.554 -0.190 -8.818 1.00 0.00 H new ATOM 0 HB ILE A 98 -7.233 1.141 -7.384 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -8.207 1.328 -4.884 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -8.555 -0.364 -5.179 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.960 2.713 -6.501 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -9.385 2.104 -8.119 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -10.187 1.436 -6.678 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.384 -0.093 -4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.187 -0.770 -5.731 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -5.833 0.948 -5.431 1.00 0.00 H new ATOM 1555 N LYS A 99 -6.560 -1.670 -8.368 1.00 0.00 N ATOM 1556 CA LYS A 99 -5.663 -2.812 -8.385 1.00 0.00 C ATOM 1557 C LYS A 99 -4.312 -2.416 -7.809 1.00 0.00 C ATOM 1558 O LYS A 99 -3.715 -1.450 -8.257 1.00 0.00 O ATOM 1559 CB LYS A 99 -5.485 -3.312 -9.825 1.00 0.00 C ATOM 1560 CG LYS A 99 -6.774 -3.417 -10.630 1.00 0.00 C ATOM 1561 CD LYS A 99 -7.140 -2.092 -11.282 1.00 0.00 C ATOM 1562 CE LYS A 99 -6.224 -1.764 -12.451 1.00 0.00 C ATOM 1563 NZ LYS A 99 -6.323 -2.773 -13.539 1.00 0.00 N ATOM 0 H LYS A 99 -6.322 -0.934 -9.033 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.091 -3.610 -7.778 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.802 -2.641 -10.346 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.010 -4.292 -9.798 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.662 -4.182 -11.398 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.586 -3.738 -9.977 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -8.172 -2.131 -11.629 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.083 -1.295 -10.541 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.478 -0.780 -12.845 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.194 -1.710 -12.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.968 -2.363 -14.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.754 -3.607 -13.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.316 -3.056 -13.661 1.00 0.00 H new ATOM 1577 N SER A 100 -3.823 -3.138 -6.815 1.00 0.00 N ATOM 1578 CA SER A 100 -2.553 -2.787 -6.213 1.00 0.00 C ATOM 1579 C SER A 100 -1.608 -3.986 -6.113 1.00 0.00 C ATOM 1580 O SER A 100 -1.986 -5.050 -5.624 1.00 0.00 O ATOM 1581 CB SER A 100 -2.787 -2.207 -4.835 1.00 0.00 C ATOM 1582 OG SER A 100 -3.661 -1.094 -4.889 1.00 0.00 O ATOM 0 H SER A 100 -4.279 -3.958 -6.414 1.00 0.00 H new ATOM 0 HA SER A 100 -2.077 -2.048 -6.857 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.208 -2.972 -4.182 1.00 0.00 H new ATOM 0 HB3 SER A 100 -1.835 -1.904 -4.399 1.00 0.00 H new ATOM 0 HG SER A 100 -3.796 -0.740 -3.985 1.00 0.00 H new ATOM 1588 N VAL A 101 -0.375 -3.787 -6.558 1.00 0.00 N ATOM 1589 CA VAL A 101 0.668 -4.801 -6.489 1.00 0.00 C ATOM 1590 C VAL A 101 1.613 -4.515 -5.326 1.00 0.00 C ATOM 1591 O VAL A 101 1.960 -3.367 -5.047 1.00 0.00 O ATOM 1592 CB VAL A 101 1.458 -4.926 -7.822 1.00 0.00 C ATOM 1593 CG1 VAL A 101 0.955 -3.942 -8.854 1.00 0.00 C ATOM 1594 CG2 VAL A 101 2.952 -4.794 -7.608 1.00 0.00 C ATOM 0 H VAL A 101 -0.068 -2.911 -6.980 1.00 0.00 H new ATOM 0 HA VAL A 101 0.177 -5.759 -6.319 1.00 0.00 H new ATOM 0 HB VAL A 101 1.280 -5.929 -8.210 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.528 -4.055 -9.774 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.099 -4.134 -9.057 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.072 -2.926 -8.476 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.466 -4.887 -8.565 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.172 -3.820 -7.171 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.294 -5.580 -6.934 1.00 0.00 H new ATOM 1604 N THR A 102 1.988 -5.567 -4.629 1.00 0.00 N ATOM 1605 CA THR A 102 2.962 -5.487 -3.567 1.00 0.00 C ATOM 1606 C THR A 102 4.120 -6.370 -3.957 1.00 0.00 C ATOM 1607 O THR A 102 3.895 -7.426 -4.540 1.00 0.00 O ATOM 1608 CB THR A 102 2.411 -5.967 -2.213 1.00 0.00 C ATOM 1609 OG1 THR A 102 1.021 -5.643 -2.100 1.00 0.00 O ATOM 1610 CG2 THR A 102 3.165 -5.315 -1.065 1.00 0.00 C ATOM 0 H THR A 102 1.622 -6.506 -4.786 1.00 0.00 H new ATOM 0 HA THR A 102 3.252 -4.444 -3.442 1.00 0.00 H new ATOM 0 HB THR A 102 2.542 -7.048 -2.162 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.487 -6.329 -2.553 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.760 -5.668 -0.117 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.221 -5.577 -1.128 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.055 -4.232 -1.126 1.00 0.00 H new ATOM 1618 N GLU A 103 5.337 -5.909 -3.745 1.00 0.00 N ATOM 1619 CA GLU A 103 6.509 -6.690 -3.998 1.00 0.00 C ATOM 1620 C GLU A 103 7.455 -6.667 -2.792 1.00 0.00 C ATOM 1621 O GLU A 103 7.606 -5.631 -2.151 1.00 0.00 O ATOM 1622 CB GLU A 103 7.171 -6.087 -5.200 1.00 0.00 C ATOM 1623 CG GLU A 103 8.256 -6.936 -5.750 1.00 0.00 C ATOM 1624 CD GLU A 103 9.589 -6.216 -5.791 1.00 0.00 C ATOM 1625 OE1 GLU A 103 10.048 -5.736 -4.734 1.00 0.00 O ATOM 1626 OE2 GLU A 103 10.165 -6.088 -6.892 1.00 0.00 O ATOM 0 H GLU A 103 5.531 -4.973 -3.389 1.00 0.00 H new ATOM 0 HA GLU A 103 6.249 -7.734 -4.173 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.422 -5.917 -5.974 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.580 -5.113 -4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.351 -7.837 -5.144 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.988 -7.256 -6.757 1.00 0.00 H new ATOM 1633 N PHE A 104 8.075 -7.803 -2.465 1.00 0.00 N ATOM 1634 CA PHE A 104 9.035 -7.838 -1.358 1.00 0.00 C ATOM 1635 C PHE A 104 10.440 -8.133 -1.846 1.00 0.00 C ATOM 1636 O PHE A 104 10.748 -9.276 -2.181 1.00 0.00 O ATOM 1637 CB PHE A 104 8.659 -8.905 -0.337 1.00 0.00 C ATOM 1638 CG PHE A 104 8.621 -8.372 1.068 1.00 0.00 C ATOM 1639 CD1 PHE A 104 9.793 -8.005 1.711 1.00 0.00 C ATOM 1640 CD2 PHE A 104 7.421 -8.225 1.739 1.00 0.00 C ATOM 1641 CE1 PHE A 104 9.765 -7.502 2.995 1.00 0.00 C ATOM 1642 CE2 PHE A 104 7.386 -7.725 3.026 1.00 0.00 C ATOM 1643 CZ PHE A 104 8.559 -7.361 3.654 1.00 0.00 C ATOM 0 H PHE A 104 7.934 -8.695 -2.940 1.00 0.00 H new ATOM 0 HA PHE A 104 9.007 -6.851 -0.897 1.00 0.00 H new ATOM 0 HB2 PHE A 104 7.683 -9.318 -0.591 1.00 0.00 H new ATOM 0 HB3 PHE A 104 9.376 -9.724 -0.392 1.00 0.00 H new ATOM 0 HD1 PHE A 104 10.739 -8.114 1.201 1.00 0.00 H new ATOM 0 HD2 PHE A 104 6.499 -8.505 1.250 1.00 0.00 H new ATOM 0 HE1 PHE A 104 10.685 -7.219 3.485 1.00 0.00 H new ATOM 0 HE2 PHE A 104 6.442 -7.619 3.540 1.00 0.00 H new ATOM 0 HZ PHE A 104 8.535 -6.966 4.659 1.00 0.00 H new ATOM 1653 N ASN A 105 11.300 -7.128 -1.835 1.00 0.00 N ATOM 1654 CA ASN A 105 12.678 -7.319 -2.253 1.00 0.00 C ATOM 1655 C ASN A 105 13.613 -7.134 -1.064 1.00 0.00 C ATOM 1656 O ASN A 105 13.978 -6.010 -0.712 1.00 0.00 O ATOM 1657 CB ASN A 105 13.028 -6.332 -3.378 1.00 0.00 C ATOM 1658 CG ASN A 105 14.331 -6.654 -4.106 1.00 0.00 C ATOM 1659 OD1 ASN A 105 15.362 -7.068 -3.382 1.00 0.00 O flip ATOM 1660 ND2 ASN A 105 14.418 -6.498 -5.326 1.00 0.00 N flip ATOM 0 H ASN A 105 11.070 -6.178 -1.543 1.00 0.00 H new ATOM 0 HA ASN A 105 12.800 -8.333 -2.634 1.00 0.00 H new ATOM 0 HB2 ASN A 105 12.213 -6.319 -4.102 1.00 0.00 H new ATOM 0 HB3 ASN A 105 13.097 -5.329 -2.958 1.00 0.00 H new ATOM 0 HD21 ASN A 105 13.609 -6.178 -5.858 1.00 0.00 H new ATOM 0 HD22 ASN A 105 15.299 -6.689 -5.803 1.00 0.00 H new ATOM 1667 N GLY A 106 14.014 -8.248 -0.470 1.00 0.00 N ATOM 1668 CA GLY A 106 14.976 -8.218 0.615 1.00 0.00 C ATOM 1669 C GLY A 106 14.472 -7.514 1.860 1.00 0.00 C ATOM 1670 O GLY A 106 13.639 -8.044 2.599 1.00 0.00 O ATOM 0 H GLY A 106 13.687 -9.181 -0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 106 15.251 -9.241 0.873 1.00 0.00 H new ATOM 0 HA3 GLY A 106 15.883 -7.722 0.270 1.00 0.00 H new ATOM 1674 N ASP A 107 14.982 -6.313 2.082 1.00 0.00 N ATOM 1675 CA ASP A 107 14.695 -5.554 3.295 1.00 0.00 C ATOM 1676 C ASP A 107 13.741 -4.413 2.981 1.00 0.00 C ATOM 1677 O ASP A 107 13.293 -3.689 3.871 1.00 0.00 O ATOM 1678 CB ASP A 107 15.981 -4.972 3.881 1.00 0.00 C ATOM 1679 CG ASP A 107 17.174 -5.896 3.743 1.00 0.00 C ATOM 1680 OD1 ASP A 107 17.802 -5.903 2.662 1.00 0.00 O ATOM 1681 OD2 ASP A 107 17.502 -6.613 4.710 1.00 0.00 O ATOM 0 H ASP A 107 15.605 -5.836 1.430 1.00 0.00 H new ATOM 0 HA ASP A 107 14.241 -6.230 4.019 1.00 0.00 H new ATOM 0 HB2 ASP A 107 16.203 -4.027 3.385 1.00 0.00 H new ATOM 0 HB3 ASP A 107 15.823 -4.749 4.936 1.00 0.00 H new ATOM 1686 N THR A 108 13.444 -4.258 1.706 1.00 0.00 N ATOM 1687 CA THR A 108 12.629 -3.173 1.236 1.00 0.00 C ATOM 1688 C THR A 108 11.380 -3.731 0.535 1.00 0.00 C ATOM 1689 O THR A 108 11.384 -4.862 0.045 1.00 0.00 O ATOM 1690 CB THR A 108 13.449 -2.306 0.265 1.00 0.00 C ATOM 1691 OG1 THR A 108 14.784 -2.132 0.766 1.00 0.00 O ATOM 1692 CG2 THR A 108 12.804 -0.961 0.093 1.00 0.00 C ATOM 0 H THR A 108 13.766 -4.887 0.970 1.00 0.00 H new ATOM 0 HA THR A 108 12.310 -2.558 2.078 1.00 0.00 H new ATOM 0 HB THR A 108 13.486 -2.812 -0.700 1.00 0.00 H new ATOM 0 HG1 THR A 108 15.299 -1.580 0.141 1.00 0.00 H new ATOM 0 HG21 THR A 108 13.396 -0.359 -0.597 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.798 -1.088 -0.308 1.00 0.00 H new ATOM 0 HG23 THR A 108 12.749 -0.458 1.058 1.00 0.00 H new ATOM 1700 N ILE A 109 10.319 -2.944 0.500 1.00 0.00 N ATOM 1701 CA ILE A 109 9.065 -3.355 -0.108 1.00 0.00 C ATOM 1702 C ILE A 109 8.741 -2.445 -1.275 1.00 0.00 C ATOM 1703 O ILE A 109 8.941 -1.238 -1.199 1.00 0.00 O ATOM 1704 CB ILE A 109 7.887 -3.272 0.889 1.00 0.00 C ATOM 1705 CG1 ILE A 109 8.256 -3.890 2.233 1.00 0.00 C ATOM 1706 CG2 ILE A 109 6.661 -3.963 0.316 1.00 0.00 C ATOM 1707 CD1 ILE A 109 7.119 -3.877 3.231 1.00 0.00 C ATOM 0 H ILE A 109 10.302 -2.002 0.892 1.00 0.00 H new ATOM 0 HA ILE A 109 9.190 -4.388 -0.431 1.00 0.00 H new ATOM 0 HB ILE A 109 7.659 -2.218 1.051 1.00 0.00 H new ATOM 0 HG12 ILE A 109 8.580 -4.919 2.075 1.00 0.00 H new ATOM 0 HG13 ILE A 109 9.105 -3.350 2.653 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.839 -3.897 1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 109 6.372 -3.478 -0.616 1.00 0.00 H new ATOM 0 HG23 ILE A 109 6.891 -5.011 0.124 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.450 -4.331 4.165 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.810 -2.848 3.417 1.00 0.00 H new ATOM 0 HD13 ILE A 109 6.277 -4.442 2.831 1.00 0.00 H new ATOM 1719 N THR A 110 8.243 -3.016 -2.343 1.00 0.00 N ATOM 1720 CA THR A 110 7.809 -2.238 -3.477 1.00 0.00 C ATOM 1721 C THR A 110 6.289 -2.268 -3.554 1.00 0.00 C ATOM 1722 O THR A 110 5.673 -3.328 -3.572 1.00 0.00 O ATOM 1723 CB THR A 110 8.411 -2.777 -4.782 1.00 0.00 C ATOM 1724 OG1 THR A 110 9.789 -3.110 -4.585 1.00 0.00 O ATOM 1725 CG2 THR A 110 8.291 -1.738 -5.861 1.00 0.00 C ATOM 0 H THR A 110 8.127 -4.024 -2.451 1.00 0.00 H new ATOM 0 HA THR A 110 8.153 -1.212 -3.348 1.00 0.00 H new ATOM 0 HB THR A 110 7.868 -3.674 -5.081 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.867 -4.062 -4.365 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.719 -2.123 -6.786 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.240 -1.498 -6.020 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.827 -0.838 -5.560 1.00 0.00 H new ATOM 1733 N ASN A 111 5.693 -1.103 -3.537 1.00 0.00 N ATOM 1734 CA ASN A 111 4.251 -0.962 -3.589 1.00 0.00 C ATOM 1735 C ASN A 111 3.858 -0.333 -4.910 1.00 0.00 C ATOM 1736 O ASN A 111 4.171 0.826 -5.154 1.00 0.00 O ATOM 1737 CB ASN A 111 3.798 -0.061 -2.425 1.00 0.00 C ATOM 1738 CG ASN A 111 3.404 -0.838 -1.183 1.00 0.00 C ATOM 1739 OD1 ASN A 111 2.535 -0.411 -0.425 1.00 0.00 O ATOM 1740 ND2 ASN A 111 4.046 -1.973 -0.956 1.00 0.00 N ATOM 0 H ASN A 111 6.194 -0.216 -3.486 1.00 0.00 H new ATOM 0 HA ASN A 111 3.774 -1.938 -3.502 1.00 0.00 H new ATOM 0 HB2 ASN A 111 4.604 0.628 -2.173 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.951 0.543 -2.751 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.826 -2.527 -0.128 1.00 0.00 H new ATOM 0 HD22 ASN A 111 4.761 -2.294 -1.609 1.00 0.00 H new ATOM 1747 N THR A 112 3.168 -1.069 -5.763 1.00 0.00 N ATOM 1748 CA THR A 112 2.752 -0.508 -7.028 1.00 0.00 C ATOM 1749 C THR A 112 1.234 -0.484 -7.084 1.00 0.00 C ATOM 1750 O THR A 112 0.592 -1.517 -7.134 1.00 0.00 O ATOM 1751 CB THR A 112 3.309 -1.326 -8.210 1.00 0.00 C ATOM 1752 OG1 THR A 112 4.702 -1.603 -8.000 1.00 0.00 O ATOM 1753 CG2 THR A 112 3.129 -0.571 -9.514 1.00 0.00 C ATOM 0 H THR A 112 2.890 -2.038 -5.605 1.00 0.00 H new ATOM 0 HA THR A 112 3.145 0.506 -7.109 1.00 0.00 H new ATOM 0 HB THR A 112 2.758 -2.265 -8.270 1.00 0.00 H new ATOM 0 HG1 THR A 112 5.049 -2.124 -8.754 1.00 0.00 H new ATOM 0 HG21 THR A 112 3.528 -1.165 -10.336 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.068 -0.384 -9.683 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.661 0.379 -9.461 1.00 0.00 H new ATOM 1761 N MET A 113 0.661 0.690 -7.078 1.00 0.00 N ATOM 1762 CA MET A 113 -0.776 0.824 -7.092 1.00 0.00 C ATOM 1763 C MET A 113 -1.248 1.234 -8.465 1.00 0.00 C ATOM 1764 O MET A 113 -0.619 2.045 -9.136 1.00 0.00 O ATOM 1765 CB MET A 113 -1.245 1.854 -6.082 1.00 0.00 C ATOM 1766 CG MET A 113 -2.746 2.033 -6.110 1.00 0.00 C ATOM 1767 SD MET A 113 -3.308 3.392 -5.068 1.00 0.00 S ATOM 1768 CE MET A 113 -5.077 3.300 -5.330 1.00 0.00 C ATOM 0 H MET A 113 1.169 1.574 -7.063 1.00 0.00 H new ATOM 0 HA MET A 113 -1.198 -0.145 -6.827 1.00 0.00 H new ATOM 0 HB2 MET A 113 -0.935 1.549 -5.083 1.00 0.00 H new ATOM 0 HB3 MET A 113 -0.762 2.809 -6.288 1.00 0.00 H new ATOM 0 HG2 MET A 113 -3.067 2.212 -7.136 1.00 0.00 H new ATOM 0 HG3 MET A 113 -3.223 1.109 -5.783 1.00 0.00 H new ATOM 0 HE1 MET A 113 -5.491 4.307 -5.375 1.00 0.00 H new ATOM 0 HE2 MET A 113 -5.280 2.783 -6.268 1.00 0.00 H new ATOM 0 HE3 MET A 113 -5.539 2.754 -4.507 1.00 0.00 H new ATOM 1778 N THR A 114 -2.339 0.651 -8.889 1.00 0.00 N ATOM 1779 CA THR A 114 -2.912 0.979 -10.172 1.00 0.00 C ATOM 1780 C THR A 114 -4.390 1.361 -10.048 1.00 0.00 C ATOM 1781 O THR A 114 -5.230 0.520 -9.717 1.00 0.00 O ATOM 1782 CB THR A 114 -2.793 -0.219 -11.111 1.00 0.00 C ATOM 1783 OG1 THR A 114 -1.600 -0.959 -10.812 1.00 0.00 O ATOM 1784 CG2 THR A 114 -2.753 0.247 -12.546 1.00 0.00 C ATOM 0 H THR A 114 -2.852 -0.057 -8.363 1.00 0.00 H new ATOM 0 HA THR A 114 -2.363 1.833 -10.570 1.00 0.00 H new ATOM 0 HB THR A 114 -3.661 -0.862 -10.969 1.00 0.00 H new ATOM 0 HG1 THR A 114 -1.531 -1.727 -11.417 1.00 0.00 H new ATOM 0 HG21 THR A 114 -2.668 -0.616 -13.207 1.00 0.00 H new ATOM 0 HG22 THR A 114 -3.668 0.792 -12.777 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.894 0.902 -12.692 1.00 0.00 H new ATOM 1792 N LEU A 115 -4.719 2.616 -10.317 1.00 0.00 N ATOM 1793 CA LEU A 115 -6.117 3.016 -10.398 1.00 0.00 C ATOM 1794 C LEU A 115 -6.444 3.332 -11.844 1.00 0.00 C ATOM 1795 O LEU A 115 -6.089 4.393 -12.339 1.00 0.00 O ATOM 1796 CB LEU A 115 -6.393 4.251 -9.535 1.00 0.00 C ATOM 1797 CG LEU A 115 -7.811 4.349 -8.952 1.00 0.00 C ATOM 1798 CD1 LEU A 115 -8.169 5.792 -8.685 1.00 0.00 C ATOM 1799 CD2 LEU A 115 -8.836 3.732 -9.878 1.00 0.00 C ATOM 0 H LEU A 115 -4.048 3.366 -10.481 1.00 0.00 H new ATOM 0 HA LEU A 115 -6.739 2.200 -10.029 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.679 4.264 -8.711 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.204 5.141 -10.135 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.821 3.793 -8.015 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.176 5.847 -8.272 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.461 6.217 -7.973 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.128 6.356 -9.617 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -9.827 3.819 -9.433 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.821 4.252 -10.836 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.599 2.679 -10.033 1.00 0.00 H new ATOM 1811 N GLY A 116 -7.180 2.437 -12.487 1.00 0.00 N ATOM 1812 CA GLY A 116 -7.539 2.612 -13.881 1.00 0.00 C ATOM 1813 C GLY A 116 -6.364 3.012 -14.762 1.00 0.00 C ATOM 1814 O GLY A 116 -5.576 2.165 -15.184 1.00 0.00 O ATOM 0 H GLY A 116 -7.539 1.582 -12.062 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -7.966 1.683 -14.258 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -8.315 3.373 -13.956 1.00 0.00 H new ATOM 1818 N ASP A 117 -6.246 4.307 -15.027 1.00 0.00 N ATOM 1819 CA ASP A 117 -5.187 4.825 -15.880 1.00 0.00 C ATOM 1820 C ASP A 117 -3.999 5.322 -15.060 1.00 0.00 C ATOM 1821 O ASP A 117 -2.859 5.255 -15.515 1.00 0.00 O ATOM 1822 CB ASP A 117 -5.716 5.952 -16.763 1.00 0.00 C ATOM 1823 CG ASP A 117 -4.650 6.513 -17.683 1.00 0.00 C ATOM 1824 OD1 ASP A 117 -4.196 5.788 -18.591 1.00 0.00 O ATOM 1825 OD2 ASP A 117 -4.268 7.690 -17.511 1.00 0.00 O ATOM 0 H ASP A 117 -6.876 5.021 -14.660 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.844 4.005 -16.511 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.549 5.582 -17.360 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -6.106 6.751 -16.133 1.00 0.00 H new ATOM 1830 N ILE A 118 -4.253 5.804 -13.847 1.00 0.00 N ATOM 1831 CA ILE A 118 -3.175 6.330 -13.018 1.00 0.00 C ATOM 1832 C ILE A 118 -2.413 5.207 -12.335 1.00 0.00 C ATOM 1833 O ILE A 118 -3.008 4.310 -11.732 1.00 0.00 O ATOM 1834 CB ILE A 118 -3.651 7.315 -11.944 1.00 0.00 C ATOM 1835 CG1 ILE A 118 -4.802 6.724 -11.176 1.00 0.00 C ATOM 1836 CG2 ILE A 118 -4.067 8.606 -12.572 1.00 0.00 C ATOM 1837 CD1 ILE A 118 -5.350 7.623 -10.131 1.00 0.00 C ATOM 0 H ILE A 118 -5.180 5.841 -13.422 1.00 0.00 H new ATOM 0 HA ILE A 118 -2.526 6.871 -13.706 1.00 0.00 H new ATOM 0 HB ILE A 118 -2.827 7.508 -11.257 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.598 6.466 -11.874 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.476 5.795 -10.708 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -4.403 9.296 -11.798 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.221 9.041 -13.104 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -4.881 8.424 -13.273 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -6.176 7.127 -9.621 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -4.569 7.861 -9.409 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -5.709 8.542 -10.594 1.00 0.00 H new ATOM 1849 N VAL A 119 -1.102 5.244 -12.433 1.00 0.00 N ATOM 1850 CA VAL A 119 -0.284 4.297 -11.709 1.00 0.00 C ATOM 1851 C VAL A 119 0.471 5.037 -10.606 1.00 0.00 C ATOM 1852 O VAL A 119 0.902 6.174 -10.787 1.00 0.00 O ATOM 1853 CB VAL A 119 0.685 3.529 -12.643 1.00 0.00 C ATOM 1854 CG1 VAL A 119 1.907 4.353 -12.981 1.00 0.00 C ATOM 1855 CG2 VAL A 119 1.070 2.187 -12.038 1.00 0.00 C ATOM 0 H VAL A 119 -0.584 5.913 -13.002 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.932 3.543 -11.262 1.00 0.00 H new ATOM 0 HB VAL A 119 0.160 3.338 -13.579 1.00 0.00 H new ATOM 0 HG11 VAL A 119 2.562 3.780 -13.637 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.600 5.270 -13.485 1.00 0.00 H new ATOM 0 HG13 VAL A 119 2.441 4.604 -12.065 1.00 0.00 H new ATOM 0 HG21 VAL A 119 1.751 1.666 -12.711 1.00 0.00 H new ATOM 0 HG22 VAL A 119 1.562 2.348 -11.079 1.00 0.00 H new ATOM 0 HG23 VAL A 119 0.174 1.584 -11.890 1.00 0.00 H new ATOM 1865 N TYR A 120 0.593 4.395 -9.469 1.00 0.00 N ATOM 1866 CA TYR A 120 1.153 5.004 -8.270 1.00 0.00 C ATOM 1867 C TYR A 120 2.101 4.025 -7.597 1.00 0.00 C ATOM 1868 O TYR A 120 1.810 2.850 -7.526 1.00 0.00 O ATOM 1869 CB TYR A 120 0.021 5.405 -7.326 1.00 0.00 C ATOM 1870 CG TYR A 120 0.504 5.952 -6.011 1.00 0.00 C ATOM 1871 CD1 TYR A 120 1.187 7.159 -5.922 1.00 0.00 C ATOM 1872 CD2 TYR A 120 0.273 5.247 -4.861 1.00 0.00 C ATOM 1873 CE1 TYR A 120 1.626 7.634 -4.697 1.00 0.00 C ATOM 1874 CE2 TYR A 120 0.698 5.707 -3.640 1.00 0.00 C ATOM 1875 CZ TYR A 120 1.374 6.904 -3.559 1.00 0.00 C ATOM 1876 OH TYR A 120 1.804 7.365 -2.335 1.00 0.00 O ATOM 0 H TYR A 120 0.305 3.425 -9.341 1.00 0.00 H new ATOM 0 HA TYR A 120 1.715 5.899 -8.536 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -0.602 6.154 -7.815 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -0.611 4.537 -7.140 1.00 0.00 H new ATOM 0 HD1 TYR A 120 1.377 7.733 -6.817 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -0.256 4.307 -4.916 1.00 0.00 H new ATOM 0 HE1 TYR A 120 2.162 8.570 -4.636 1.00 0.00 H new ATOM 0 HE2 TYR A 120 0.503 5.133 -2.746 1.00 0.00 H new ATOM 0 HH TYR A 120 1.195 7.050 -1.635 1.00 0.00 H new ATOM 1886 N LYS A 121 3.246 4.481 -7.131 1.00 0.00 N ATOM 1887 CA LYS A 121 4.216 3.557 -6.560 1.00 0.00 C ATOM 1888 C LYS A 121 4.767 4.085 -5.242 1.00 0.00 C ATOM 1889 O LYS A 121 4.916 5.288 -5.063 1.00 0.00 O ATOM 1890 CB LYS A 121 5.352 3.332 -7.556 1.00 0.00 C ATOM 1891 CG LYS A 121 6.087 2.020 -7.399 1.00 0.00 C ATOM 1892 CD LYS A 121 7.393 2.216 -6.664 1.00 0.00 C ATOM 1893 CE LYS A 121 8.476 1.312 -7.220 1.00 0.00 C ATOM 1894 NZ LYS A 121 8.771 1.616 -8.645 1.00 0.00 N ATOM 0 H LYS A 121 3.528 5.461 -7.133 1.00 0.00 H new ATOM 0 HA LYS A 121 3.717 2.610 -6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 121 4.946 3.385 -8.566 1.00 0.00 H new ATOM 0 HB3 LYS A 121 6.069 4.147 -7.457 1.00 0.00 H new ATOM 0 HG2 LYS A 121 5.462 1.312 -6.855 1.00 0.00 H new ATOM 0 HG3 LYS A 121 6.279 1.587 -8.381 1.00 0.00 H new ATOM 0 HD2 LYS A 121 7.707 3.257 -6.746 1.00 0.00 H new ATOM 0 HD3 LYS A 121 7.251 2.008 -5.603 1.00 0.00 H new ATOM 0 HE2 LYS A 121 9.384 1.427 -6.628 1.00 0.00 H new ATOM 0 HE3 LYS A 121 8.164 0.272 -7.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 9.747 1.332 -8.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 8.112 1.092 -9.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 8.661 2.637 -8.812 1.00 0.00 H new ATOM 1908 N ARG A 122 5.026 3.178 -4.314 1.00 0.00 N ATOM 1909 CA ARG A 122 5.721 3.503 -3.081 1.00 0.00 C ATOM 1910 C ARG A 122 6.728 2.409 -2.781 1.00 0.00 C ATOM 1911 O ARG A 122 6.490 1.256 -3.087 1.00 0.00 O ATOM 1912 CB ARG A 122 4.760 3.628 -1.896 1.00 0.00 C ATOM 1913 CG ARG A 122 3.516 4.437 -2.174 1.00 0.00 C ATOM 1914 CD ARG A 122 2.492 4.279 -1.062 1.00 0.00 C ATOM 1915 NE ARG A 122 2.039 2.890 -0.929 1.00 0.00 N ATOM 1916 CZ ARG A 122 0.815 2.469 -1.246 1.00 0.00 C ATOM 1917 NH1 ARG A 122 -0.075 3.320 -1.741 1.00 0.00 N ATOM 1918 NH2 ARG A 122 0.482 1.195 -1.069 1.00 0.00 N ATOM 0 H ARG A 122 4.760 2.197 -4.395 1.00 0.00 H new ATOM 0 HA ARG A 122 6.214 4.465 -3.218 1.00 0.00 H new ATOM 0 HB2 ARG A 122 4.463 2.628 -1.580 1.00 0.00 H new ATOM 0 HB3 ARG A 122 5.293 4.082 -1.060 1.00 0.00 H new ATOM 0 HG2 ARG A 122 3.781 5.489 -2.280 1.00 0.00 H new ATOM 0 HG3 ARG A 122 3.079 4.121 -3.121 1.00 0.00 H new ATOM 0 HD2 ARG A 122 2.926 4.611 -0.119 1.00 0.00 H new ATOM 0 HD3 ARG A 122 1.636 4.923 -1.263 1.00 0.00 H new ATOM 0 HE ARG A 122 2.703 2.203 -0.571 1.00 0.00 H new ATOM 0 HH11 ARG A 122 0.177 4.299 -1.880 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -1.011 2.995 -1.983 1.00 0.00 H new ATOM 0 HH21 ARG A 122 1.164 0.538 -0.690 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -0.455 0.874 -1.312 1.00 0.00 H new ATOM 1932 N VAL A 123 7.863 2.765 -2.231 1.00 0.00 N ATOM 1933 CA VAL A 123 8.839 1.779 -1.815 1.00 0.00 C ATOM 1934 C VAL A 123 9.069 1.898 -0.305 1.00 0.00 C ATOM 1935 O VAL A 123 9.556 2.925 0.165 1.00 0.00 O ATOM 1936 CB VAL A 123 10.161 1.982 -2.576 1.00 0.00 C ATOM 1937 CG1 VAL A 123 11.148 0.871 -2.269 1.00 0.00 C ATOM 1938 CG2 VAL A 123 9.882 2.062 -4.067 1.00 0.00 C ATOM 0 H VAL A 123 8.137 3.732 -2.059 1.00 0.00 H new ATOM 0 HA VAL A 123 8.463 0.782 -2.043 1.00 0.00 H new ATOM 0 HB VAL A 123 10.613 2.918 -2.248 1.00 0.00 H new ATOM 0 HG11 VAL A 123 12.072 1.042 -2.821 1.00 0.00 H new ATOM 0 HG12 VAL A 123 11.361 0.859 -1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 123 10.721 -0.087 -2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 123 10.819 2.206 -4.605 1.00 0.00 H new ATOM 0 HG22 VAL A 123 9.411 1.137 -4.399 1.00 0.00 H new ATOM 0 HG23 VAL A 123 9.216 2.901 -4.268 1.00 0.00 H new ATOM 1948 N SER A 124 8.734 0.864 0.451 1.00 0.00 N ATOM 1949 CA SER A 124 8.832 0.923 1.906 1.00 0.00 C ATOM 1950 C SER A 124 10.073 0.199 2.378 1.00 0.00 C ATOM 1951 O SER A 124 10.265 -0.967 2.079 1.00 0.00 O ATOM 1952 CB SER A 124 7.602 0.292 2.557 1.00 0.00 C ATOM 1953 OG SER A 124 6.414 0.652 1.869 1.00 0.00 O ATOM 0 H SER A 124 8.393 -0.025 0.085 1.00 0.00 H new ATOM 0 HA SER A 124 8.890 1.972 2.197 1.00 0.00 H new ATOM 0 HB2 SER A 124 7.707 -0.793 2.563 1.00 0.00 H new ATOM 0 HB3 SER A 124 7.534 0.611 3.597 1.00 0.00 H new ATOM 0 HG SER A 124 5.643 0.233 2.306 1.00 0.00 H new ATOM 1959 N LYS A 125 10.906 0.871 3.132 1.00 0.00 N ATOM 1960 CA LYS A 125 12.174 0.304 3.517 1.00 0.00 C ATOM 1961 C LYS A 125 12.231 0.115 5.027 1.00 0.00 C ATOM 1962 O LYS A 125 11.648 0.890 5.787 1.00 0.00 O ATOM 1963 CB LYS A 125 13.288 1.213 3.002 1.00 0.00 C ATOM 1964 CG LYS A 125 14.668 0.620 3.110 1.00 0.00 C ATOM 1965 CD LYS A 125 15.392 1.136 4.338 1.00 0.00 C ATOM 1966 CE LYS A 125 15.895 2.558 4.141 1.00 0.00 C ATOM 1967 NZ LYS A 125 16.696 3.022 5.304 1.00 0.00 N ATOM 0 H LYS A 125 10.730 1.809 3.491 1.00 0.00 H new ATOM 0 HA LYS A 125 12.303 -0.684 3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 125 13.090 1.456 1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 125 13.263 2.150 3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 125 14.597 -0.467 3.156 1.00 0.00 H new ATOM 0 HG3 LYS A 125 15.243 0.864 2.216 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.721 1.103 5.196 1.00 0.00 H new ATOM 0 HD3 LYS A 125 16.233 0.481 4.566 1.00 0.00 H new ATOM 0 HE2 LYS A 125 16.502 2.608 3.237 1.00 0.00 H new ATOM 0 HE3 LYS A 125 15.047 3.227 3.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 17.022 3.995 5.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 16.109 2.998 6.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 17.518 2.398 5.430 1.00 0.00 H new ATOM 1981 N ARG A 126 12.927 -0.939 5.435 1.00 0.00 N ATOM 1982 CA ARG A 126 12.990 -1.365 6.820 1.00 0.00 C ATOM 1983 C ARG A 126 13.533 -0.274 7.711 1.00 0.00 C ATOM 1984 O ARG A 126 14.528 0.375 7.383 1.00 0.00 O ATOM 1985 CB ARG A 126 13.871 -2.603 6.935 1.00 0.00 C ATOM 1986 CG ARG A 126 13.114 -3.844 7.354 1.00 0.00 C ATOM 1987 CD ARG A 126 13.892 -5.098 7.014 1.00 0.00 C ATOM 1988 NE ARG A 126 15.193 -5.143 7.683 1.00 0.00 N ATOM 1989 CZ ARG A 126 16.002 -6.202 7.664 1.00 0.00 C ATOM 1990 NH1 ARG A 126 15.637 -7.313 7.032 1.00 0.00 N ATOM 1991 NH2 ARG A 126 17.179 -6.152 8.277 1.00 0.00 N ATOM 0 H ARG A 126 13.469 -1.527 4.802 1.00 0.00 H new ATOM 0 HA ARG A 126 11.976 -1.596 7.148 1.00 0.00 H new ATOM 0 HB2 ARG A 126 14.352 -2.787 5.975 1.00 0.00 H new ATOM 0 HB3 ARG A 126 14.664 -2.409 7.657 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.921 -3.811 8.426 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.144 -3.868 6.856 1.00 0.00 H new ATOM 0 HD2 ARG A 126 13.309 -5.973 7.299 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.039 -5.151 5.935 1.00 0.00 H new ATOM 0 HE ARG A 126 15.499 -4.315 8.194 1.00 0.00 H new ATOM 0 HH11 ARG A 126 14.734 -7.358 6.559 1.00 0.00 H new ATOM 0 HH12 ARG A 126 16.259 -8.121 7.020 1.00 0.00 H new ATOM 0 HH21 ARG A 126 17.465 -5.302 8.763 1.00 0.00 H new ATOM 0 HH22 ARG A 126 17.797 -6.963 8.262 1.00 0.00 H new ATOM 2005 N ILE A 127 12.883 -0.081 8.836 1.00 0.00 N ATOM 2006 CA ILE A 127 13.332 0.897 9.795 1.00 0.00 C ATOM 2007 C ILE A 127 14.135 0.219 10.892 1.00 0.00 C ATOM 2008 O ILE A 127 13.534 -0.507 11.709 1.00 0.00 O ATOM 2009 CB ILE A 127 12.169 1.692 10.410 1.00 0.00 C ATOM 2010 CG1 ILE A 127 10.859 0.944 10.233 1.00 0.00 C ATOM 2011 CG2 ILE A 127 12.088 3.073 9.800 1.00 0.00 C ATOM 2012 CD1 ILE A 127 9.692 1.715 10.741 1.00 0.00 C ATOM 2013 OXT ILE A 127 15.372 0.381 10.907 1.00 0.00 O ATOM 0 H ILE A 127 12.042 -0.589 9.108 1.00 0.00 H new ATOM 0 HA ILE A 127 13.963 1.607 9.261 1.00 0.00 H new ATOM 0 HB ILE A 127 12.354 1.804 11.478 1.00 0.00 H new ATOM 0 HG12 ILE A 127 10.711 0.721 9.176 1.00 0.00 H new ATOM 0 HG13 ILE A 127 10.916 -0.011 10.756 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.259 3.621 10.248 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.019 3.608 9.986 1.00 0.00 H new ATOM 0 HG23 ILE A 127 11.928 2.987 8.725 1.00 0.00 H new ATOM 0 HD11 ILE A 127 8.780 1.136 10.591 1.00 0.00 H new ATOM 0 HD12 ILE A 127 9.823 1.916 11.804 1.00 0.00 H new ATOM 0 HD13 ILE A 127 9.616 2.658 10.200 1.00 0.00 H new TER 2025 ILE A 127