USER MOD reduce.3.24.130724 H: found=0, std=0, add=1053, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 885 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 85 HIS :FLIP no HD1:sc= 0 F(o=-0.1,f=0.61) USER MOD Set 1.2: A 87 THR OG1 : rot 47:sc= 0.607 USER MOD Set 2.1: A 29 ASN : amide:sc= -2.56! C(o=-2.3!,f=-5!) USER MOD Set 2.2: A 96 TYR OH : rot 0:sc= 0.255 USER MOD Set 3.1: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl -179:sc= 0 (180deg=-0.00273) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -73:sc= 0.17 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -136:sc= 0.965 (180deg=0.0661) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN :FLIP amide:sc= -1.21 F(o=-2.1!,f=-1.2) USER MOD Single : A 31 GLN : amide:sc= -0.582 X(o=-0.58,f=-0.1) USER MOD Single : A 32 GLN : amide:sc= -0.0434 K(o=-0.043,f=-0.55) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot -60:sc= 0.0932 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -48:sc= 0.194 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.682 X(o=-0.68,f=-0.44) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0733 USER MOD Single : A 60 HIS : no HD1:sc= -0.525 X(o=-0.53,f=-0.072) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 178:sc= 0.925 (180deg=0.908) USER MOD Single : A 63 ASN :FLIP amide:sc= 0.326 F(o=-0.6,f=0.33) USER MOD Single : A 65 ASN : amide:sc=-0.00668 X(o=-0.0067,f=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0531 K(o=-0.053,f=-0.99) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 175:sc= 1.26 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 1.21 K(o=1.2,f=-0.0082) USER MOD Single : A 102 GLN : amide:sc= 1.09 K(o=1.1,f=-0.018) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 109 TYR OH : rot -115:sc= 0.904 USER MOD Single : A 117 LYS NZ :NH3+ 168:sc= 0.723 (180deg=0.637) USER MOD Single : A 119 SER OG : rot 180:sc= 0.0174 USER MOD Single : A 126 MET CE :methyl -163:sc= 0 (180deg=-0.305) USER MOD Single : A 129 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.013) USER MOD Single : A 130 TYR OH : rot 180:sc=-0.00476 USER MOD Single : A 131 HIS : no HE2:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.610 -11.155 -26.277 1.00 43.24 N ATOM 2 CA GLY A 1 -14.626 -11.483 -25.276 1.00 42.12 C ATOM 3 C GLY A 1 -14.379 -12.864 -24.705 1.00 33.01 C ATOM 4 O GLY A 1 -14.831 -13.856 -25.275 1.00 32.22 O ATOM 0 H1 GLY A 1 -13.793 -10.205 -26.659 1.00 43.24 H new ATOM 0 H2 GLY A 1 -12.669 -11.175 -25.836 1.00 43.24 H new ATOM 0 H3 GLY A 1 -13.645 -11.851 -27.049 1.00 43.24 H new ATOM 0 HA2 GLY A 1 -14.609 -10.743 -24.476 1.00 42.12 H new ATOM 0 HA3 GLY A 1 -15.617 -11.441 -25.728 1.00 42.12 H new ATOM 8 N MET A 2 -13.665 -12.933 -23.582 1.00 72.41 N ATOM 9 CA MET A 2 -13.368 -14.144 -22.822 1.00 63.30 C ATOM 10 C MET A 2 -13.506 -13.812 -21.340 1.00 73.00 C ATOM 11 O MET A 2 -13.413 -12.635 -20.960 1.00 20.03 O ATOM 12 CB MET A 2 -11.935 -14.620 -23.113 1.00 3.41 C ATOM 13 CG MET A 2 -11.803 -15.215 -24.515 1.00 33.43 C ATOM 14 SD MET A 2 -10.240 -16.079 -24.850 1.00 11.23 S ATOM 15 CE MET A 2 -9.044 -14.720 -24.719 1.00 14.11 C ATOM 0 H MET A 2 -13.257 -12.101 -23.156 1.00 72.41 H new ATOM 0 HA MET A 2 -14.057 -14.940 -23.105 1.00 63.30 H new ATOM 0 HB2 MET A 2 -11.246 -13.782 -23.009 1.00 3.41 H new ATOM 0 HB3 MET A 2 -11.644 -15.366 -22.374 1.00 3.41 H new ATOM 0 HG2 MET A 2 -12.626 -15.912 -24.674 1.00 33.43 H new ATOM 0 HG3 MET A 2 -11.919 -14.413 -25.244 1.00 33.43 H new ATOM 0 HE1 MET A 2 -8.041 -15.097 -24.919 1.00 14.11 H new ATOM 0 HE2 MET A 2 -9.292 -13.946 -25.446 1.00 14.11 H new ATOM 0 HE3 MET A 2 -9.080 -14.299 -23.714 1.00 14.11 H new ATOM 23 N THR A 3 -13.687 -14.820 -20.491 1.00 72.42 N ATOM 24 CA THR A 3 -13.656 -14.637 -19.045 1.00 2.25 C ATOM 25 C THR A 3 -12.234 -14.235 -18.609 1.00 15.35 C ATOM 26 O THR A 3 -11.268 -14.593 -19.289 1.00 34.12 O ATOM 27 CB THR A 3 -14.145 -15.924 -18.352 1.00 75.41 C ATOM 28 OG1 THR A 3 -13.604 -17.083 -18.956 1.00 55.11 O ATOM 29 CG2 THR A 3 -15.669 -16.041 -18.473 1.00 41.11 C ATOM 0 H THR A 3 -13.858 -15.782 -20.785 1.00 72.42 H new ATOM 0 HA THR A 3 -14.328 -13.832 -18.747 1.00 2.25 H new ATOM 0 HB THR A 3 -13.825 -15.858 -17.312 1.00 75.41 H new ATOM 0 HG1 THR A 3 -13.934 -17.879 -18.490 1.00 55.11 H new ATOM 0 HG21 THR A 3 -16.004 -16.954 -17.980 1.00 41.11 H new ATOM 0 HG22 THR A 3 -16.139 -15.179 -17.999 1.00 41.11 H new ATOM 0 HG23 THR A 3 -15.949 -16.073 -19.526 1.00 41.11 H new ATOM 37 N PRO A 4 -12.075 -13.488 -17.503 1.00 11.55 N ATOM 38 CA PRO A 4 -10.763 -13.148 -16.970 1.00 32.03 C ATOM 39 C PRO A 4 -10.121 -14.378 -16.327 1.00 40.50 C ATOM 40 O PRO A 4 -10.821 -15.318 -15.937 1.00 53.31 O ATOM 41 CB PRO A 4 -11.026 -12.060 -15.924 1.00 32.12 C ATOM 42 CG PRO A 4 -12.433 -12.383 -15.420 1.00 62.44 C ATOM 43 CD PRO A 4 -13.129 -12.942 -16.661 1.00 64.42 C ATOM 0 HA PRO A 4 -10.077 -12.804 -17.744 1.00 32.03 H new ATOM 0 HB2 PRO A 4 -10.293 -12.093 -15.118 1.00 32.12 H new ATOM 0 HB3 PRO A 4 -10.975 -11.063 -16.361 1.00 32.12 H new ATOM 0 HG2 PRO A 4 -12.413 -13.110 -14.608 1.00 62.44 H new ATOM 0 HG3 PRO A 4 -12.938 -11.495 -15.040 1.00 62.44 H new ATOM 0 HD2 PRO A 4 -13.850 -13.713 -16.389 1.00 64.42 H new ATOM 0 HD3 PRO A 4 -13.680 -12.161 -17.184 1.00 64.42 H new ATOM 48 N GLN A 5 -8.809 -14.316 -16.098 1.00 73.00 N ATOM 49 CA GLN A 5 -8.099 -15.245 -15.235 1.00 0.43 C ATOM 50 C GLN A 5 -7.795 -14.523 -13.927 1.00 75.32 C ATOM 51 O GLN A 5 -7.371 -13.362 -13.897 1.00 20.31 O ATOM 52 CB GLN A 5 -6.828 -15.781 -15.918 1.00 24.34 C ATOM 53 CG GLN A 5 -7.053 -17.184 -16.506 1.00 61.24 C ATOM 54 CD GLN A 5 -8.184 -17.236 -17.533 1.00 51.31 C ATOM 55 OE1 GLN A 5 -8.163 -16.518 -18.531 1.00 21.35 O ATOM 56 NE2 GLN A 5 -9.204 -18.044 -17.302 1.00 3.35 N ATOM 0 H GLN A 5 -8.206 -13.607 -16.515 1.00 73.00 H new ATOM 0 HA GLN A 5 -8.714 -16.121 -15.029 1.00 0.43 H new ATOM 0 HB2 GLN A 5 -6.524 -15.098 -16.711 1.00 24.34 H new ATOM 0 HB3 GLN A 5 -6.012 -15.815 -15.196 1.00 24.34 H new ATOM 0 HG2 GLN A 5 -6.130 -17.526 -16.975 1.00 61.24 H new ATOM 0 HG3 GLN A 5 -7.275 -17.878 -15.696 1.00 61.24 H new ATOM 0 HE21 GLN A 5 -9.209 -18.634 -16.470 1.00 3.35 H new ATOM 0 HE22 GLN A 5 -9.986 -18.077 -17.956 1.00 3.35 H new ATOM 63 N SER A 6 -7.999 -15.245 -12.842 1.00 60.42 N ATOM 64 CA SER A 6 -7.803 -14.851 -11.460 1.00 73.05 C ATOM 65 C SER A 6 -6.766 -15.778 -10.833 1.00 73.05 C ATOM 66 O SER A 6 -6.847 -16.124 -9.655 1.00 20.12 O ATOM 67 CB SER A 6 -9.151 -14.895 -10.731 1.00 40.24 C ATOM 68 OG SER A 6 -10.141 -14.204 -11.474 1.00 2.24 O ATOM 0 H SER A 6 -8.335 -16.205 -12.911 1.00 60.42 H new ATOM 0 HA SER A 6 -7.427 -13.831 -11.385 1.00 73.05 H new ATOM 0 HB2 SER A 6 -9.457 -15.931 -10.582 1.00 40.24 H new ATOM 0 HB3 SER A 6 -9.051 -14.447 -9.742 1.00 40.24 H new ATOM 0 HG SER A 6 -10.996 -14.243 -10.996 1.00 2.24 H new ATOM 73 N ASP A 7 -5.751 -16.147 -11.613 1.00 62.43 N ATOM 74 CA ASP A 7 -4.791 -17.197 -11.270 1.00 11.34 C ATOM 75 C ASP A 7 -3.674 -16.659 -10.378 1.00 64.42 C ATOM 76 O ASP A 7 -2.732 -17.368 -10.032 1.00 0.52 O ATOM 77 CB ASP A 7 -4.193 -17.752 -12.579 1.00 60.21 C ATOM 78 CG ASP A 7 -5.001 -18.868 -13.250 1.00 64.32 C ATOM 79 OD1 ASP A 7 -6.082 -19.248 -12.741 1.00 4.23 O ATOM 80 OD2 ASP A 7 -4.564 -19.338 -14.327 1.00 11.50 O ATOM 0 H ASP A 7 -5.569 -15.716 -12.519 1.00 62.43 H new ATOM 0 HA ASP A 7 -5.304 -17.984 -10.717 1.00 11.34 H new ATOM 0 HB2 ASP A 7 -4.085 -16.930 -13.286 1.00 60.21 H new ATOM 0 HB3 ASP A 7 -3.191 -18.127 -12.370 1.00 60.21 H new ATOM 84 N THR A 8 -3.797 -15.402 -9.985 1.00 52.23 N ATOM 85 CA THR A 8 -2.925 -14.641 -9.113 1.00 21.14 C ATOM 86 C THR A 8 -2.912 -15.279 -7.700 1.00 64.21 C ATOM 87 O THR A 8 -3.936 -15.799 -7.240 1.00 51.31 O ATOM 88 CB THR A 8 -3.388 -13.159 -9.104 1.00 71.24 C ATOM 89 OG1 THR A 8 -4.589 -12.946 -9.849 1.00 3.12 O ATOM 90 CG2 THR A 8 -2.354 -12.202 -9.705 1.00 0.24 C ATOM 0 H THR A 8 -4.586 -14.837 -10.300 1.00 52.23 H new ATOM 0 HA THR A 8 -1.898 -14.662 -9.476 1.00 21.14 H new ATOM 0 HB THR A 8 -3.541 -12.951 -8.045 1.00 71.24 H new ATOM 0 HG1 THR A 8 -4.394 -13.005 -10.808 1.00 3.12 H new ATOM 0 HG21 THR A 8 -2.738 -11.182 -9.669 1.00 0.24 H new ATOM 0 HG22 THR A 8 -1.428 -12.261 -9.133 1.00 0.24 H new ATOM 0 HG23 THR A 8 -2.160 -12.480 -10.741 1.00 0.24 H new ATOM 98 N PRO A 9 -1.775 -15.240 -6.986 1.00 34.01 N ATOM 99 CA PRO A 9 -1.550 -15.941 -5.720 1.00 22.10 C ATOM 100 C PRO A 9 -2.275 -15.280 -4.539 1.00 51.11 C ATOM 101 O PRO A 9 -2.814 -14.175 -4.662 1.00 64.35 O ATOM 102 CB PRO A 9 -0.029 -15.918 -5.521 1.00 14.00 C ATOM 103 CG PRO A 9 0.400 -14.657 -6.265 1.00 31.51 C ATOM 104 CD PRO A 9 -0.575 -14.563 -7.423 1.00 23.13 C ATOM 0 HA PRO A 9 -1.951 -16.954 -5.758 1.00 22.10 H new ATOM 0 HB2 PRO A 9 0.238 -15.873 -4.465 1.00 14.00 H new ATOM 0 HB3 PRO A 9 0.445 -16.809 -5.933 1.00 14.00 H new ATOM 0 HG2 PRO A 9 0.344 -13.777 -5.624 1.00 31.51 H new ATOM 0 HG3 PRO A 9 1.429 -14.731 -6.615 1.00 31.51 H new ATOM 0 HD2 PRO A 9 -0.783 -13.523 -7.675 1.00 23.13 H new ATOM 0 HD3 PRO A 9 -0.165 -15.032 -8.318 1.00 23.13 H new ATOM 109 N LYS A 10 -2.258 -15.945 -3.376 1.00 75.13 N ATOM 110 CA LYS A 10 -3.106 -15.656 -2.217 1.00 32.12 C ATOM 111 C LYS A 10 -2.388 -15.271 -0.911 1.00 71.53 C ATOM 112 O LYS A 10 -3.042 -15.192 0.125 1.00 63.31 O ATOM 113 CB LYS A 10 -4.044 -16.861 -2.057 1.00 2.42 C ATOM 114 CG LYS A 10 -5.430 -16.526 -2.619 1.00 3.52 C ATOM 115 CD LYS A 10 -6.205 -17.776 -3.028 1.00 72.32 C ATOM 116 CE LYS A 10 -6.787 -18.524 -1.823 1.00 63.12 C ATOM 117 NZ LYS A 10 -7.243 -19.887 -2.170 1.00 72.22 N ATOM 0 H LYS A 10 -1.627 -16.730 -3.213 1.00 75.13 H new ATOM 0 HA LYS A 10 -3.653 -14.735 -2.420 1.00 32.12 H new ATOM 0 HB2 LYS A 10 -3.631 -17.725 -2.577 1.00 2.42 H new ATOM 0 HB3 LYS A 10 -4.125 -17.132 -1.004 1.00 2.42 H new ATOM 0 HG2 LYS A 10 -6.000 -15.976 -1.870 1.00 3.52 H new ATOM 0 HG3 LYS A 10 -5.321 -15.870 -3.482 1.00 3.52 H new ATOM 0 HD2 LYS A 10 -7.014 -17.494 -3.702 1.00 72.32 H new ATOM 0 HD3 LYS A 10 -5.546 -18.444 -3.583 1.00 72.32 H new ATOM 0 HE2 LYS A 10 -6.033 -18.585 -1.038 1.00 63.12 H new ATOM 0 HE3 LYS A 10 -7.624 -17.956 -1.417 1.00 63.12 H new ATOM 0 HZ1 LYS A 10 -7.628 -20.351 -1.322 1.00 72.22 H new ATOM 0 HZ2 LYS A 10 -7.982 -19.831 -2.899 1.00 72.22 H new ATOM 0 HZ3 LYS A 10 -6.440 -20.440 -2.533 1.00 72.22 H new ATOM 127 N VAL A 11 -1.085 -14.973 -0.982 1.00 51.43 N ATOM 128 CA VAL A 11 -0.229 -14.421 0.081 1.00 23.32 C ATOM 129 C VAL A 11 0.042 -15.429 1.201 1.00 11.34 C ATOM 130 O VAL A 11 -0.881 -15.983 1.805 1.00 75.32 O ATOM 131 CB VAL A 11 -0.749 -13.065 0.615 1.00 4.14 C ATOM 132 CG1 VAL A 11 0.133 -12.496 1.734 1.00 30.41 C ATOM 133 CG2 VAL A 11 -0.756 -12.017 -0.499 1.00 74.22 C ATOM 0 H VAL A 11 -0.561 -15.121 -1.845 1.00 51.43 H new ATOM 0 HA VAL A 11 0.737 -14.216 -0.381 1.00 23.32 H new ATOM 0 HB VAL A 11 -1.751 -13.264 0.995 1.00 4.14 H new ATOM 0 HG11 VAL A 11 -0.277 -11.544 2.072 1.00 30.41 H new ATOM 0 HG12 VAL A 11 0.159 -13.197 2.568 1.00 30.41 H new ATOM 0 HG13 VAL A 11 1.144 -12.342 1.358 1.00 30.41 H new ATOM 0 HG21 VAL A 11 -1.125 -11.070 -0.105 1.00 74.22 H new ATOM 0 HG22 VAL A 11 0.257 -11.883 -0.878 1.00 74.22 H new ATOM 0 HG23 VAL A 11 -1.405 -12.351 -1.308 1.00 74.22 H new ATOM 143 N THR A 12 1.325 -15.643 1.501 1.00 55.15 N ATOM 144 CA THR A 12 1.792 -16.607 2.492 1.00 41.32 C ATOM 145 C THR A 12 2.879 -15.992 3.387 1.00 70.44 C ATOM 146 O THR A 12 3.817 -16.677 3.787 1.00 32.30 O ATOM 147 CB THR A 12 2.193 -17.919 1.781 1.00 2.43 C ATOM 148 OG1 THR A 12 3.070 -17.729 0.688 1.00 61.52 O ATOM 149 CG2 THR A 12 0.947 -18.595 1.195 1.00 63.12 C ATOM 0 H THR A 12 2.085 -15.136 1.048 1.00 55.15 H new ATOM 0 HA THR A 12 0.990 -16.870 3.182 1.00 41.32 H new ATOM 0 HB THR A 12 2.690 -18.516 2.546 1.00 2.43 H new ATOM 0 HG1 THR A 12 3.284 -18.597 0.286 1.00 61.52 H new ATOM 0 HG21 THR A 12 1.236 -19.519 0.695 1.00 63.12 H new ATOM 0 HG22 THR A 12 0.244 -18.821 1.997 1.00 63.12 H new ATOM 0 HG23 THR A 12 0.474 -17.926 0.476 1.00 63.12 H new ATOM 157 N GLY A 13 2.772 -14.699 3.703 1.00 41.34 N ATOM 158 CA GLY A 13 3.690 -14.035 4.624 1.00 2.34 C ATOM 159 C GLY A 13 3.045 -12.848 5.314 1.00 23.41 C ATOM 160 O GLY A 13 2.398 -12.997 6.350 1.00 41.33 O ATOM 0 H GLY A 13 2.048 -14.087 3.327 1.00 41.34 H new ATOM 0 HA2 GLY A 13 4.030 -14.749 5.374 1.00 2.34 H new ATOM 0 HA3 GLY A 13 4.572 -13.701 4.078 1.00 2.34 H new ATOM 164 N LEU A 14 3.215 -11.688 4.685 1.00 70.31 N ATOM 165 CA LEU A 14 2.908 -10.351 5.163 1.00 31.24 C ATOM 166 C LEU A 14 3.599 -10.064 6.502 1.00 5.02 C ATOM 167 O LEU A 14 2.980 -10.116 7.567 1.00 33.31 O ATOM 168 CB LEU A 14 1.393 -10.091 5.158 1.00 72.45 C ATOM 169 CG LEU A 14 0.860 -9.458 3.860 1.00 71.22 C ATOM 170 CD1 LEU A 14 -0.670 -9.473 3.805 1.00 14.42 C ATOM 171 CD2 LEU A 14 1.291 -7.995 3.738 1.00 34.12 C ATOM 0 H LEU A 14 3.607 -11.662 3.744 1.00 70.31 H new ATOM 0 HA LEU A 14 3.325 -9.624 4.466 1.00 31.24 H new ATOM 0 HB2 LEU A 14 0.874 -11.035 5.327 1.00 72.45 H new ATOM 0 HB3 LEU A 14 1.146 -9.437 5.995 1.00 72.45 H new ATOM 0 HG LEU A 14 1.275 -10.055 3.048 1.00 71.22 H new ATOM 0 HD11 LEU A 14 -1.005 -9.017 2.873 1.00 14.42 H new ATOM 0 HD12 LEU A 14 -1.026 -10.502 3.854 1.00 14.42 H new ATOM 0 HD13 LEU A 14 -1.070 -8.910 4.648 1.00 14.42 H new ATOM 0 HD21 LEU A 14 0.899 -7.576 2.811 1.00 34.12 H new ATOM 0 HD22 LEU A 14 0.902 -7.429 4.585 1.00 34.12 H new ATOM 0 HD23 LEU A 14 2.379 -7.936 3.731 1.00 34.12 H new ATOM 182 N LYS A 15 4.896 -9.741 6.456 1.00 61.35 N ATOM 183 CA LYS A 15 5.697 -9.394 7.622 1.00 10.02 C ATOM 184 C LYS A 15 5.904 -7.888 7.658 1.00 23.53 C ATOM 185 O LYS A 15 5.674 -7.204 6.666 1.00 61.31 O ATOM 186 CB LYS A 15 7.038 -10.139 7.545 1.00 62.52 C ATOM 187 CG LYS A 15 7.055 -11.359 8.478 1.00 25.42 C ATOM 188 CD LYS A 15 8.449 -11.608 9.058 1.00 1.43 C ATOM 189 CE LYS A 15 8.829 -10.494 10.041 1.00 12.00 C ATOM 190 NZ LYS A 15 10.212 -10.631 10.537 1.00 52.44 N ATOM 0 H LYS A 15 5.425 -9.715 5.584 1.00 61.35 H new ATOM 0 HA LYS A 15 5.188 -9.690 8.539 1.00 10.02 H new ATOM 0 HB2 LYS A 15 7.219 -10.461 6.519 1.00 62.52 H new ATOM 0 HB3 LYS A 15 7.848 -9.462 7.814 1.00 62.52 H new ATOM 0 HG2 LYS A 15 6.345 -11.206 9.291 1.00 25.42 H new ATOM 0 HG3 LYS A 15 6.726 -12.242 7.929 1.00 25.42 H new ATOM 0 HD2 LYS A 15 8.471 -12.572 9.566 1.00 1.43 H new ATOM 0 HD3 LYS A 15 9.181 -11.655 8.252 1.00 1.43 H new ATOM 0 HE2 LYS A 15 8.715 -9.527 9.552 1.00 12.00 H new ATOM 0 HE3 LYS A 15 8.140 -10.507 10.885 1.00 12.00 H new ATOM 0 HZ1 LYS A 15 10.422 -9.856 11.198 1.00 52.44 H new ATOM 0 HZ2 LYS A 15 10.316 -11.542 11.028 1.00 52.44 H new ATOM 0 HZ3 LYS A 15 10.874 -10.592 9.736 1.00 52.44 H new ATOM 200 N LEU A 16 6.393 -7.349 8.775 1.00 73.35 N ATOM 201 CA LEU A 16 6.623 -5.912 8.901 1.00 65.45 C ATOM 202 C LEU A 16 7.941 -5.612 9.588 1.00 64.52 C ATOM 203 O LEU A 16 8.553 -6.485 10.203 1.00 64.35 O ATOM 204 CB LEU A 16 5.464 -5.232 9.651 1.00 63.23 C ATOM 205 CG LEU A 16 4.481 -4.519 8.709 1.00 30.11 C ATOM 206 CD1 LEU A 16 3.326 -5.444 8.304 1.00 2.44 C ATOM 207 CD2 LEU A 16 3.951 -3.270 9.399 1.00 23.23 C ATOM 0 H LEU A 16 6.637 -7.888 9.606 1.00 73.35 H new ATOM 0 HA LEU A 16 6.672 -5.505 7.891 1.00 65.45 H new ATOM 0 HB2 LEU A 16 4.925 -5.980 10.232 1.00 63.23 H new ATOM 0 HB3 LEU A 16 5.870 -4.510 10.359 1.00 63.23 H new ATOM 0 HG LEU A 16 5.006 -4.239 7.796 1.00 30.11 H new ATOM 0 HD11 LEU A 16 2.649 -4.910 7.638 1.00 2.44 H new ATOM 0 HD12 LEU A 16 3.724 -6.320 7.791 1.00 2.44 H new ATOM 0 HD13 LEU A 16 2.784 -5.761 9.195 1.00 2.44 H new ATOM 0 HD21 LEU A 16 3.252 -2.758 8.738 1.00 23.23 H new ATOM 0 HD22 LEU A 16 3.439 -3.552 10.319 1.00 23.23 H new ATOM 0 HD23 LEU A 16 4.781 -2.605 9.635 1.00 23.23 H new ATOM 218 N LYS A 17 8.350 -4.345 9.489 1.00 64.35 N ATOM 219 CA LYS A 17 9.511 -3.780 10.153 1.00 11.34 C ATOM 220 C LYS A 17 9.242 -2.311 10.487 1.00 3.24 C ATOM 221 O LYS A 17 9.586 -1.418 9.705 1.00 50.34 O ATOM 222 CB LYS A 17 10.780 -3.983 9.305 1.00 10.14 C ATOM 223 CG LYS A 17 10.628 -3.596 7.825 1.00 5.22 C ATOM 224 CD LYS A 17 10.407 -4.774 6.867 1.00 25.23 C ATOM 225 CE LYS A 17 11.766 -5.242 6.319 1.00 2.24 C ATOM 226 NZ LYS A 17 12.445 -6.259 7.153 1.00 11.33 N ATOM 0 H LYS A 17 7.855 -3.661 8.917 1.00 64.35 H new ATOM 0 HA LYS A 17 9.691 -4.302 11.093 1.00 11.34 H new ATOM 0 HB2 LYS A 17 11.589 -3.396 9.739 1.00 10.14 H new ATOM 0 HB3 LYS A 17 11.078 -5.030 9.365 1.00 10.14 H new ATOM 0 HG2 LYS A 17 9.789 -2.907 7.729 1.00 5.22 H new ATOM 0 HG3 LYS A 17 11.522 -3.056 7.513 1.00 5.22 H new ATOM 0 HD2 LYS A 17 9.910 -5.593 7.387 1.00 25.23 H new ATOM 0 HD3 LYS A 17 9.755 -4.474 6.047 1.00 25.23 H new ATOM 0 HE2 LYS A 17 11.620 -5.649 5.319 1.00 2.24 H new ATOM 0 HE3 LYS A 17 12.421 -4.376 6.218 1.00 2.24 H new ATOM 0 HZ1 LYS A 17 13.453 -6.018 7.242 1.00 11.33 H new ATOM 0 HZ2 LYS A 17 12.010 -6.281 8.097 1.00 11.33 H new ATOM 0 HZ3 LYS A 17 12.350 -7.194 6.707 1.00 11.33 H new ATOM 236 N ARG A 18 8.677 -2.039 11.673 1.00 64.32 N ATOM 237 CA ARG A 18 8.513 -0.669 12.183 1.00 34.32 C ATOM 238 C ARG A 18 9.813 0.131 12.097 1.00 41.32 C ATOM 239 O ARG A 18 9.770 1.323 11.802 1.00 61.54 O ATOM 240 CB ARG A 18 7.963 -0.665 13.622 1.00 23.14 C ATOM 241 CG ARG A 18 8.790 -1.478 14.636 1.00 43.42 C ATOM 242 CD ARG A 18 8.283 -1.272 16.066 1.00 31.40 C ATOM 243 NE ARG A 18 8.928 -2.216 16.999 1.00 3.23 N ATOM 244 CZ ARG A 18 8.329 -3.151 17.748 1.00 65.33 C ATOM 245 NH1 ARG A 18 7.028 -3.402 17.667 1.00 51.05 N ATOM 246 NH2 ARG A 18 9.044 -3.884 18.593 1.00 10.41 N ATOM 0 H ARG A 18 8.322 -2.759 12.303 1.00 64.32 H new ATOM 0 HA ARG A 18 7.782 -0.179 11.541 1.00 34.32 H new ATOM 0 HB2 ARG A 18 7.902 0.366 13.969 1.00 23.14 H new ATOM 0 HB3 ARG A 18 6.946 -1.057 13.608 1.00 23.14 H new ATOM 0 HG2 ARG A 18 8.742 -2.537 14.381 1.00 43.42 H new ATOM 0 HG3 ARG A 18 9.837 -1.182 14.574 1.00 43.42 H new ATOM 0 HD2 ARG A 18 8.484 -0.248 16.383 1.00 31.40 H new ATOM 0 HD3 ARG A 18 7.202 -1.408 16.095 1.00 31.40 H new ATOM 0 HE ARG A 18 9.942 -2.149 17.083 1.00 3.23 H new ATOM 0 HH11 ARG A 18 6.446 -2.874 17.016 1.00 51.05 H new ATOM 0 HH12 ARG A 18 6.610 -4.123 18.255 1.00 51.05 H new ATOM 0 HH21 ARG A 18 10.050 -3.735 18.672 1.00 10.41 H new ATOM 0 HH22 ARG A 18 8.587 -4.596 19.163 1.00 10.41 H new ATOM 257 N LYS A 19 10.975 -0.516 12.258 1.00 12.01 N ATOM 258 CA LYS A 19 12.288 0.134 12.250 1.00 64.52 C ATOM 259 C LYS A 19 12.567 0.947 10.990 1.00 44.02 C ATOM 260 O LYS A 19 13.351 1.890 11.064 1.00 33.13 O ATOM 261 CB LYS A 19 13.399 -0.898 12.456 1.00 41.15 C ATOM 262 CG LYS A 19 13.219 -1.693 13.762 1.00 71.42 C ATOM 263 CD LYS A 19 14.539 -1.899 14.508 1.00 61.52 C ATOM 264 CE LYS A 19 14.912 -0.587 15.202 1.00 32.50 C ATOM 265 NZ LYS A 19 16.171 -0.703 15.959 1.00 33.21 N ATOM 0 H LYS A 19 11.027 -1.525 12.400 1.00 12.01 H new ATOM 0 HA LYS A 19 12.273 0.841 13.079 1.00 64.52 H new ATOM 0 HB2 LYS A 19 13.413 -1.587 11.612 1.00 41.15 H new ATOM 0 HB3 LYS A 19 14.364 -0.392 12.471 1.00 41.15 H new ATOM 0 HG2 LYS A 19 12.517 -1.168 14.410 1.00 71.42 H new ATOM 0 HG3 LYS A 19 12.778 -2.664 13.535 1.00 71.42 H new ATOM 0 HD2 LYS A 19 14.440 -2.700 15.240 1.00 61.52 H new ATOM 0 HD3 LYS A 19 15.324 -2.197 13.814 1.00 61.52 H new ATOM 0 HE2 LYS A 19 15.008 0.203 14.457 1.00 32.50 H new ATOM 0 HE3 LYS A 19 14.109 -0.292 15.877 1.00 32.50 H new ATOM 0 HZ1 LYS A 19 16.388 0.207 16.414 1.00 33.21 H new ATOM 0 HZ2 LYS A 19 16.072 -1.439 16.687 1.00 33.21 H new ATOM 0 HZ3 LYS A 19 16.943 -0.959 15.311 1.00 33.21 H new ATOM 275 N SER A 20 11.905 0.629 9.881 1.00 10.31 N ATOM 276 CA SER A 20 12.003 1.349 8.619 1.00 62.32 C ATOM 277 C SER A 20 10.613 1.731 8.092 1.00 72.25 C ATOM 278 O SER A 20 10.487 2.107 6.931 1.00 65.53 O ATOM 279 CB SER A 20 12.777 0.465 7.632 1.00 14.10 C ATOM 280 OG SER A 20 14.067 0.173 8.129 1.00 2.12 O ATOM 0 H SER A 20 11.265 -0.164 9.837 1.00 10.31 H new ATOM 0 HA SER A 20 12.539 2.288 8.756 1.00 62.32 H new ATOM 0 HB2 SER A 20 12.230 -0.462 7.460 1.00 14.10 H new ATOM 0 HB3 SER A 20 12.858 0.971 6.670 1.00 14.10 H new ATOM 0 HG SER A 20 14.545 -0.393 7.487 1.00 2.12 H new ATOM 285 N ARG A 21 9.548 1.622 8.905 1.00 71.44 N ATOM 286 CA ARG A 21 8.146 1.783 8.487 1.00 25.23 C ATOM 287 C ARG A 21 7.817 0.981 7.211 1.00 32.13 C ATOM 288 O ARG A 21 6.944 1.350 6.421 1.00 64.11 O ATOM 289 CB ARG A 21 7.775 3.282 8.400 1.00 1.23 C ATOM 290 CG ARG A 21 7.358 3.908 9.743 1.00 73.12 C ATOM 291 CD ARG A 21 8.486 4.324 10.693 1.00 71.22 C ATOM 292 NE ARG A 21 9.187 5.534 10.241 1.00 62.22 N ATOM 293 CZ ARG A 21 9.602 6.552 11.007 1.00 65.31 C ATOM 294 NH1 ARG A 21 9.496 6.523 12.336 1.00 21.50 N ATOM 295 NH2 ARG A 21 10.124 7.626 10.437 1.00 65.11 N ATOM 0 H ARG A 21 9.642 1.414 9.899 1.00 71.44 H new ATOM 0 HA ARG A 21 7.506 1.348 9.255 1.00 25.23 H new ATOM 0 HB2 ARG A 21 8.628 3.833 8.004 1.00 1.23 H new ATOM 0 HB3 ARG A 21 6.959 3.402 7.687 1.00 1.23 H new ATOM 0 HG2 ARG A 21 6.749 4.788 9.533 1.00 73.12 H new ATOM 0 HG3 ARG A 21 6.719 3.196 10.266 1.00 73.12 H new ATOM 0 HD2 ARG A 21 8.074 4.497 11.687 1.00 71.22 H new ATOM 0 HD3 ARG A 21 9.201 3.506 10.783 1.00 71.22 H new ATOM 0 HE ARG A 21 9.377 5.606 9.241 1.00 62.22 H new ATOM 0 HH11 ARG A 21 9.089 5.709 12.798 1.00 21.50 H new ATOM 0 HH12 ARG A 21 9.822 7.314 12.891 1.00 21.50 H new ATOM 0 HH21 ARG A 21 10.208 7.675 9.422 1.00 65.11 H new ATOM 0 HH22 ARG A 21 10.442 8.405 11.013 1.00 65.11 H new ATOM 306 N GLN A 22 8.456 -0.174 7.022 1.00 13.04 N ATOM 307 CA GLN A 22 8.329 -0.990 5.820 1.00 5.31 C ATOM 308 C GLN A 22 7.505 -2.248 6.133 1.00 33.21 C ATOM 309 O GLN A 22 7.364 -2.655 7.295 1.00 53.03 O ATOM 310 CB GLN A 22 9.739 -1.310 5.284 1.00 25.31 C ATOM 311 CG GLN A 22 10.337 -0.223 4.370 1.00 51.02 C ATOM 312 CD GLN A 22 11.846 -0.411 4.168 1.00 73.32 C ATOM 313 OE1 GLN A 22 12.284 -1.603 3.804 1.00 31.30 O flip ATOM 314 NE2 GLN A 22 12.648 0.491 4.373 1.00 3.10 N flip ATOM 0 H GLN A 22 9.088 -0.574 7.715 1.00 13.04 H new ATOM 0 HA GLN A 22 7.794 -0.453 5.037 1.00 5.31 H new ATOM 0 HB2 GLN A 22 10.409 -1.465 6.130 1.00 25.31 H new ATOM 0 HB3 GLN A 22 9.700 -2.249 4.733 1.00 25.31 H new ATOM 0 HG2 GLN A 22 9.836 -0.246 3.402 1.00 51.02 H new ATOM 0 HG3 GLN A 22 10.148 0.759 4.803 1.00 51.02 H new ATOM 0 HE21 GLN A 22 12.317 1.414 4.654 1.00 3.10 H new ATOM 0 HE22 GLN A 22 13.647 0.320 4.262 1.00 3.10 H new ATOM 321 N LEU A 23 6.965 -2.862 5.082 1.00 5.31 N ATOM 322 CA LEU A 23 6.169 -4.088 5.081 1.00 1.23 C ATOM 323 C LEU A 23 6.658 -5.013 3.985 1.00 44.43 C ATOM 324 O LEU A 23 6.851 -4.554 2.866 1.00 74.22 O ATOM 325 CB LEU A 23 4.695 -3.711 4.833 1.00 34.40 C ATOM 326 CG LEU A 23 3.695 -4.861 4.609 1.00 52.15 C ATOM 327 CD1 LEU A 23 2.297 -4.487 5.111 1.00 63.51 C ATOM 328 CD2 LEU A 23 3.532 -5.145 3.114 1.00 32.43 C ATOM 0 H LEU A 23 7.081 -2.488 4.140 1.00 5.31 H new ATOM 0 HA LEU A 23 6.265 -4.600 6.038 1.00 1.23 H new ATOM 0 HB2 LEU A 23 4.349 -3.126 5.685 1.00 34.40 H new ATOM 0 HB3 LEU A 23 4.657 -3.058 3.961 1.00 34.40 H new ATOM 0 HG LEU A 23 4.091 -5.722 5.148 1.00 52.15 H new ATOM 0 HD11 LEU A 23 1.614 -5.319 4.939 1.00 63.51 H new ATOM 0 HD12 LEU A 23 2.340 -4.268 6.178 1.00 63.51 H new ATOM 0 HD13 LEU A 23 1.941 -3.608 4.574 1.00 63.51 H new ATOM 0 HD21 LEU A 23 2.822 -5.960 2.974 1.00 32.43 H new ATOM 0 HD22 LEU A 23 3.162 -4.251 2.612 1.00 32.43 H new ATOM 0 HD23 LEU A 23 4.496 -5.426 2.690 1.00 32.43 H new ATOM 339 N GLU A 24 6.829 -6.292 4.305 1.00 1.43 N ATOM 340 CA GLU A 24 7.278 -7.344 3.399 1.00 41.15 C ATOM 341 C GLU A 24 6.114 -8.231 3.007 1.00 54.31 C ATOM 342 O GLU A 24 5.234 -8.484 3.829 1.00 31.40 O ATOM 343 CB GLU A 24 8.358 -8.213 4.057 1.00 10.43 C ATOM 344 CG GLU A 24 9.581 -7.353 4.348 1.00 71.14 C ATOM 345 CD GLU A 24 10.881 -8.143 4.446 1.00 2.32 C ATOM 346 OE1 GLU A 24 11.397 -8.623 3.417 1.00 53.12 O ATOM 347 OE2 GLU A 24 11.416 -8.239 5.578 1.00 61.23 O ATOM 0 H GLU A 24 6.650 -6.639 5.247 1.00 1.43 H new ATOM 0 HA GLU A 24 7.694 -6.862 2.514 1.00 41.15 H new ATOM 0 HB2 GLU A 24 7.978 -8.651 4.980 1.00 10.43 H new ATOM 0 HB3 GLU A 24 8.627 -9.040 3.400 1.00 10.43 H new ATOM 0 HG2 GLU A 24 9.681 -6.603 3.563 1.00 71.14 H new ATOM 0 HG3 GLU A 24 9.422 -6.816 5.283 1.00 71.14 H new ATOM 352 N ILE A 25 6.137 -8.740 1.778 1.00 41.03 N ATOM 353 CA ILE A 25 5.101 -9.604 1.222 1.00 21.42 C ATOM 354 C ILE A 25 5.781 -10.832 0.634 1.00 3.41 C ATOM 355 O ILE A 25 6.827 -10.718 -0.003 1.00 50.32 O ATOM 356 CB ILE A 25 4.278 -8.820 0.173 1.00 14.24 C ATOM 357 CG1 ILE A 25 3.368 -7.804 0.894 1.00 53.41 C ATOM 358 CG2 ILE A 25 3.394 -9.719 -0.714 1.00 22.50 C ATOM 359 CD1 ILE A 25 3.080 -6.548 0.071 1.00 62.13 C ATOM 0 H ILE A 25 6.898 -8.557 1.124 1.00 41.03 H new ATOM 0 HA ILE A 25 4.400 -9.932 1.989 1.00 21.42 H new ATOM 0 HB ILE A 25 4.999 -8.327 -0.479 1.00 14.24 H new ATOM 0 HG12 ILE A 25 2.424 -8.288 1.145 1.00 53.41 H new ATOM 0 HG13 ILE A 25 3.836 -7.513 1.834 1.00 53.41 H new ATOM 0 HG21 ILE A 25 2.846 -9.102 -1.426 1.00 22.50 H new ATOM 0 HG22 ILE A 25 4.022 -10.426 -1.256 1.00 22.50 H new ATOM 0 HG23 ILE A 25 2.688 -10.266 -0.089 1.00 22.50 H new ATOM 0 HD11 ILE A 25 2.435 -5.880 0.641 1.00 62.13 H new ATOM 0 HD12 ILE A 25 4.017 -6.040 -0.158 1.00 62.13 H new ATOM 0 HD13 ILE A 25 2.583 -6.828 -0.858 1.00 62.13 H new ATOM 370 N SER A 26 5.132 -11.979 0.823 1.00 10.10 N ATOM 371 CA SER A 26 5.423 -13.251 0.199 1.00 4.21 C ATOM 372 C SER A 26 4.127 -13.686 -0.444 1.00 23.31 C ATOM 373 O SER A 26 3.050 -13.617 0.165 1.00 33.33 O ATOM 374 CB SER A 26 5.873 -14.254 1.271 1.00 3.02 C ATOM 375 OG SER A 26 5.679 -15.612 0.930 1.00 3.31 O ATOM 0 H SER A 26 4.338 -12.039 1.460 1.00 10.10 H new ATOM 0 HA SER A 26 6.224 -13.186 -0.537 1.00 4.21 H new ATOM 0 HB2 SER A 26 6.931 -14.093 1.478 1.00 3.02 H new ATOM 0 HB3 SER A 26 5.333 -14.045 2.194 1.00 3.02 H new ATOM 0 HG SER A 26 5.992 -16.181 1.664 1.00 3.31 H new ATOM 380 N PHE A 27 4.261 -14.157 -1.671 1.00 2.04 N ATOM 381 CA PHE A 27 3.241 -14.911 -2.352 1.00 11.01 C ATOM 382 C PHE A 27 3.526 -16.392 -2.236 1.00 42.25 C ATOM 383 O PHE A 27 4.536 -16.830 -1.690 1.00 71.51 O ATOM 384 CB PHE A 27 3.078 -14.414 -3.791 1.00 72.22 C ATOM 385 CG PHE A 27 2.346 -13.090 -3.901 1.00 22.50 C ATOM 386 CD1 PHE A 27 1.042 -12.923 -3.393 1.00 71.32 C ATOM 387 CD2 PHE A 27 2.959 -12.025 -4.567 1.00 55.22 C ATOM 388 CE1 PHE A 27 0.361 -11.704 -3.586 1.00 64.31 C ATOM 389 CE2 PHE A 27 2.291 -10.806 -4.739 1.00 1.31 C ATOM 390 CZ PHE A 27 0.991 -10.637 -4.243 1.00 64.21 C ATOM 0 H PHE A 27 5.104 -14.019 -2.228 1.00 2.04 H new ATOM 0 HA PHE A 27 2.274 -14.751 -1.875 1.00 11.01 H new ATOM 0 HB2 PHE A 27 4.064 -14.312 -4.245 1.00 72.22 H new ATOM 0 HB3 PHE A 27 2.538 -15.166 -4.367 1.00 72.22 H new ATOM 0 HD1 PHE A 27 0.564 -13.729 -2.856 1.00 71.32 H new ATOM 0 HD2 PHE A 27 3.960 -12.144 -4.954 1.00 55.22 H new ATOM 0 HE1 PHE A 27 -0.651 -11.591 -3.226 1.00 64.31 H new ATOM 0 HE2 PHE A 27 2.779 -9.993 -5.256 1.00 1.31 H new ATOM 0 HZ PHE A 27 0.479 -9.694 -4.366 1.00 64.21 H new ATOM 399 N ASP A 28 2.596 -17.163 -2.767 1.00 1.04 N ATOM 400 CA ASP A 28 2.663 -18.606 -2.793 1.00 73.12 C ATOM 401 C ASP A 28 3.205 -19.101 -4.142 1.00 32.42 C ATOM 402 O ASP A 28 2.839 -20.190 -4.588 1.00 35.14 O ATOM 403 CB ASP A 28 1.250 -19.115 -2.490 1.00 34.22 C ATOM 404 CG ASP A 28 1.208 -20.598 -2.142 1.00 31.52 C ATOM 405 OD1 ASP A 28 2.258 -21.178 -1.772 1.00 55.04 O ATOM 406 OD2 ASP A 28 0.092 -21.167 -2.213 1.00 22.24 O ATOM 0 H ASP A 28 1.752 -16.790 -3.203 1.00 1.04 H new ATOM 0 HA ASP A 28 3.356 -18.994 -2.047 1.00 73.12 H new ATOM 0 HB2 ASP A 28 0.834 -18.542 -1.661 1.00 34.22 H new ATOM 0 HB3 ASP A 28 0.612 -18.933 -3.355 1.00 34.22 H new ATOM 410 N ASN A 29 3.998 -18.273 -4.842 1.00 74.12 N ATOM 411 CA ASN A 29 4.484 -18.540 -6.198 1.00 64.23 C ATOM 412 C ASN A 29 6.002 -18.659 -6.313 1.00 14.33 C ATOM 413 O ASN A 29 6.465 -19.361 -7.216 1.00 75.41 O ATOM 414 CB ASN A 29 3.942 -17.506 -7.198 1.00 13.03 C ATOM 415 CG ASN A 29 4.695 -16.173 -7.303 1.00 40.03 C ATOM 416 OD1 ASN A 29 5.911 -16.092 -7.367 1.00 72.24 O ATOM 417 ND2 ASN A 29 3.975 -15.075 -7.377 1.00 53.41 N ATOM 0 H ASN A 29 4.324 -17.381 -4.469 1.00 74.12 H new ATOM 0 HA ASN A 29 4.091 -19.525 -6.451 1.00 64.23 H new ATOM 0 HB2 ASN A 29 3.929 -17.966 -8.186 1.00 13.03 H new ATOM 0 HB3 ASN A 29 2.907 -17.290 -6.933 1.00 13.03 H new ATOM 0 HD21 ASN A 29 4.434 -14.171 -7.486 1.00 53.41 H new ATOM 0 HD22 ASN A 29 2.958 -15.128 -7.325 1.00 53.41 H new ATOM 423 N GLY A 30 6.762 -18.010 -5.425 1.00 73.53 N ATOM 424 CA GLY A 30 8.221 -17.978 -5.561 1.00 14.11 C ATOM 425 C GLY A 30 8.780 -16.625 -5.990 1.00 33.31 C ATOM 426 O GLY A 30 9.674 -16.552 -6.838 1.00 34.30 O ATOM 0 H GLY A 30 6.398 -17.507 -4.616 1.00 73.53 H new ATOM 0 HA2 GLY A 30 8.670 -18.258 -4.608 1.00 14.11 H new ATOM 0 HA3 GLY A 30 8.523 -18.731 -6.289 1.00 14.11 H new ATOM 430 N GLN A 31 8.303 -15.562 -5.357 1.00 42.05 N ATOM 431 CA GLN A 31 8.851 -14.212 -5.299 1.00 51.23 C ATOM 432 C GLN A 31 8.729 -13.706 -3.844 1.00 72.54 C ATOM 433 O GLN A 31 8.224 -14.422 -2.973 1.00 72.44 O ATOM 434 CB GLN A 31 8.121 -13.296 -6.305 1.00 43.42 C ATOM 435 CG GLN A 31 6.611 -13.288 -6.174 1.00 53.05 C ATOM 436 CD GLN A 31 6.322 -11.989 -5.498 1.00 42.24 C ATOM 437 OE1 GLN A 31 6.178 -11.967 -4.282 1.00 35.31 O ATOM 438 NE2 GLN A 31 6.404 -10.902 -6.259 1.00 73.15 N ATOM 0 H GLN A 31 7.439 -15.629 -4.819 1.00 42.05 H new ATOM 0 HA GLN A 31 9.903 -14.206 -5.583 1.00 51.23 H new ATOM 0 HB2 GLN A 31 8.488 -12.277 -6.181 1.00 43.42 H new ATOM 0 HB3 GLN A 31 8.383 -13.608 -7.316 1.00 43.42 H new ATOM 0 HG2 GLN A 31 6.124 -13.350 -7.147 1.00 53.05 H new ATOM 0 HG3 GLN A 31 6.256 -14.134 -5.585 1.00 53.05 H new ATOM 0 HE21 GLN A 31 6.524 -10.994 -7.268 1.00 73.15 H new ATOM 0 HE22 GLN A 31 6.347 -9.976 -5.834 1.00 73.15 H new ATOM 445 N GLN A 32 9.163 -12.472 -3.591 1.00 60.34 N ATOM 446 CA GLN A 32 9.035 -11.736 -2.333 1.00 51.03 C ATOM 447 C GLN A 32 9.397 -10.270 -2.611 1.00 31.21 C ATOM 448 O GLN A 32 10.029 -9.978 -3.634 1.00 53.05 O ATOM 449 CB GLN A 32 9.954 -12.345 -1.249 1.00 42.31 C ATOM 450 CG GLN A 32 9.142 -12.991 -0.113 1.00 3.11 C ATOM 451 CD GLN A 32 9.959 -13.854 0.842 1.00 63.53 C ATOM 452 OE1 GLN A 32 10.971 -14.453 0.479 1.00 13.42 O ATOM 453 NE2 GLN A 32 9.551 -13.954 2.098 1.00 11.24 N ATOM 0 H GLN A 32 9.644 -11.924 -4.304 1.00 60.34 H new ATOM 0 HA GLN A 32 8.015 -11.800 -1.955 1.00 51.03 H new ATOM 0 HB2 GLN A 32 10.605 -13.093 -1.702 1.00 42.31 H new ATOM 0 HB3 GLN A 32 10.598 -11.567 -0.839 1.00 42.31 H new ATOM 0 HG2 GLN A 32 8.653 -12.203 0.459 1.00 3.11 H new ATOM 0 HG3 GLN A 32 8.354 -13.603 -0.551 1.00 3.11 H new ATOM 0 HE21 GLN A 32 8.713 -13.459 2.403 1.00 11.24 H new ATOM 0 HE22 GLN A 32 10.075 -14.526 2.760 1.00 11.24 H new ATOM 460 N PHE A 33 8.991 -9.342 -1.739 1.00 32.52 N ATOM 461 CA PHE A 33 9.280 -7.910 -1.869 1.00 13.22 C ATOM 462 C PHE A 33 9.006 -7.174 -0.561 1.00 10.40 C ATOM 463 O PHE A 33 8.575 -7.780 0.425 1.00 50.12 O ATOM 464 CB PHE A 33 8.461 -7.276 -3.011 1.00 53.03 C ATOM 465 CG PHE A 33 7.008 -7.654 -3.084 1.00 32.12 C ATOM 466 CD1 PHE A 33 6.651 -8.793 -3.811 1.00 12.04 C ATOM 467 CD2 PHE A 33 6.014 -6.808 -2.561 1.00 21.32 C ATOM 468 CE1 PHE A 33 5.305 -9.094 -4.025 1.00 25.14 C ATOM 469 CE2 PHE A 33 4.660 -7.101 -2.802 1.00 21.22 C ATOM 470 CZ PHE A 33 4.300 -8.250 -3.526 1.00 44.33 C ATOM 0 H PHE A 33 8.443 -9.568 -0.909 1.00 32.52 H new ATOM 0 HA PHE A 33 10.339 -7.813 -2.108 1.00 13.22 H new ATOM 0 HB2 PHE A 33 8.527 -6.192 -2.917 1.00 53.03 H new ATOM 0 HB3 PHE A 33 8.931 -7.544 -3.957 1.00 53.03 H new ATOM 0 HD1 PHE A 33 7.418 -9.441 -4.208 1.00 12.04 H new ATOM 0 HD2 PHE A 33 6.288 -5.940 -1.979 1.00 21.32 H new ATOM 0 HE1 PHE A 33 5.035 -9.982 -4.578 1.00 25.14 H new ATOM 0 HE2 PHE A 33 3.893 -6.439 -2.429 1.00 21.22 H new ATOM 0 HZ PHE A 33 3.259 -8.482 -3.697 1.00 44.33 H new ATOM 479 N THR A 34 9.236 -5.857 -0.574 1.00 24.43 N ATOM 480 CA THR A 34 8.957 -4.937 0.516 1.00 31.13 C ATOM 481 C THR A 34 8.442 -3.614 -0.051 1.00 54.34 C ATOM 482 O THR A 34 8.993 -3.138 -1.045 1.00 65.21 O ATOM 483 CB THR A 34 10.252 -4.657 1.285 1.00 21.31 C ATOM 484 OG1 THR A 34 11.033 -5.814 1.491 1.00 3.40 O ATOM 485 CG2 THR A 34 9.999 -4.012 2.645 1.00 11.00 C ATOM 0 H THR A 34 9.640 -5.389 -1.385 1.00 24.43 H new ATOM 0 HA THR A 34 8.211 -5.379 1.176 1.00 31.13 H new ATOM 0 HB THR A 34 10.799 -3.964 0.646 1.00 21.31 H new ATOM 0 HG1 THR A 34 11.846 -5.576 1.984 1.00 3.40 H new ATOM 0 HG21 THR A 34 10.950 -3.836 3.147 1.00 11.00 H new ATOM 0 HG22 THR A 34 9.480 -3.063 2.507 1.00 11.00 H new ATOM 0 HG23 THR A 34 9.385 -4.676 3.254 1.00 11.00 H new ATOM 493 N LEU A 35 7.470 -2.969 0.600 1.00 2.20 N ATOM 494 CA LEU A 35 7.031 -1.603 0.298 1.00 41.43 C ATOM 495 C LEU A 35 6.949 -0.793 1.591 1.00 3.13 C ATOM 496 O LEU A 35 7.072 -1.329 2.698 1.00 23.14 O ATOM 497 CB LEU A 35 5.665 -1.573 -0.411 1.00 1.03 C ATOM 498 CG LEU A 35 5.583 -2.425 -1.693 1.00 64.22 C ATOM 499 CD1 LEU A 35 4.653 -3.607 -1.467 1.00 10.23 C ATOM 500 CD2 LEU A 35 5.046 -1.628 -2.868 1.00 65.45 C ATOM 0 H LEU A 35 6.953 -3.393 1.371 1.00 2.20 H new ATOM 0 HA LEU A 35 7.765 -1.166 -0.379 1.00 41.43 H new ATOM 0 HB2 LEU A 35 4.902 -1.917 0.287 1.00 1.03 H new ATOM 0 HB3 LEU A 35 5.424 -0.540 -0.662 1.00 1.03 H new ATOM 0 HG LEU A 35 6.595 -2.759 -1.922 1.00 64.22 H new ATOM 0 HD11 LEU A 35 4.598 -4.206 -2.376 1.00 10.23 H new ATOM 0 HD12 LEU A 35 5.035 -4.220 -0.651 1.00 10.23 H new ATOM 0 HD13 LEU A 35 3.658 -3.243 -1.212 1.00 10.23 H new ATOM 0 HD21 LEU A 35 5.004 -2.265 -3.751 1.00 65.45 H new ATOM 0 HD22 LEU A 35 4.045 -1.265 -2.635 1.00 65.45 H new ATOM 0 HD23 LEU A 35 5.703 -0.780 -3.063 1.00 65.45 H new ATOM 511 N SER A 36 6.673 0.496 1.462 1.00 21.12 N ATOM 512 CA SER A 36 6.783 1.491 2.525 1.00 74.33 C ATOM 513 C SER A 36 5.373 1.905 2.978 1.00 54.44 C ATOM 514 O SER A 36 4.428 1.853 2.181 1.00 42.14 O ATOM 515 CB SER A 36 7.619 2.660 1.983 1.00 5.20 C ATOM 516 OG SER A 36 8.768 2.172 1.305 1.00 25.11 O ATOM 0 H SER A 36 6.353 0.896 0.580 1.00 21.12 H new ATOM 0 HA SER A 36 7.286 1.099 3.409 1.00 74.33 H new ATOM 0 HB2 SER A 36 7.016 3.263 1.304 1.00 5.20 H new ATOM 0 HB3 SER A 36 7.922 3.311 2.803 1.00 5.20 H new ATOM 0 HG SER A 36 9.291 2.927 0.963 1.00 25.11 H new ATOM 521 N CYS A 37 5.181 2.229 4.265 1.00 70.54 N ATOM 522 CA CYS A 37 3.843 2.502 4.821 1.00 33.30 C ATOM 523 C CYS A 37 3.128 3.643 4.093 1.00 73.33 C ATOM 524 O CYS A 37 1.897 3.637 3.998 1.00 34.42 O ATOM 525 CB CYS A 37 3.888 2.771 6.338 1.00 41.24 C ATOM 526 SG CYS A 37 4.526 4.415 6.776 1.00 70.31 S ATOM 0 H CYS A 37 5.937 2.309 4.945 1.00 70.54 H new ATOM 0 HA CYS A 37 3.263 1.594 4.658 1.00 33.30 H new ATOM 0 HB2 CYS A 37 2.883 2.661 6.746 1.00 41.24 H new ATOM 0 HB3 CYS A 37 4.510 2.012 6.813 1.00 41.24 H new ATOM 0 HG CYS A 37 5.740 4.543 6.329 1.00 70.31 H new ATOM 531 N GLU A 38 3.902 4.602 3.590 1.00 2.03 N ATOM 532 CA GLU A 38 3.450 5.744 2.819 1.00 63.54 C ATOM 533 C GLU A 38 2.684 5.274 1.573 1.00 4.11 C ATOM 534 O GLU A 38 1.519 5.636 1.387 1.00 3.01 O ATOM 535 CB GLU A 38 4.677 6.638 2.517 1.00 30.43 C ATOM 536 CG GLU A 38 5.732 5.972 1.608 1.00 31.32 C ATOM 537 CD GLU A 38 7.157 6.508 1.751 1.00 41.41 C ATOM 538 OE1 GLU A 38 7.689 6.558 2.886 1.00 24.52 O ATOM 539 OE2 GLU A 38 7.822 6.738 0.720 1.00 31.51 O ATOM 0 H GLU A 38 4.914 4.597 3.720 1.00 2.03 H new ATOM 0 HA GLU A 38 2.737 6.351 3.377 1.00 63.54 H new ATOM 0 HB2 GLU A 38 4.335 7.559 2.045 1.00 30.43 H new ATOM 0 HB3 GLU A 38 5.149 6.919 3.458 1.00 30.43 H new ATOM 0 HG2 GLU A 38 5.742 4.902 1.816 1.00 31.32 H new ATOM 0 HG3 GLU A 38 5.420 6.092 0.571 1.00 31.32 H new ATOM 544 N LEU A 39 3.306 4.414 0.753 1.00 70.15 N ATOM 545 CA LEU A 39 2.753 3.956 -0.518 1.00 63.33 C ATOM 546 C LEU A 39 1.492 3.122 -0.286 1.00 24.10 C ATOM 547 O LEU A 39 0.594 3.101 -1.124 1.00 62.24 O ATOM 548 CB LEU A 39 3.802 3.158 -1.314 1.00 4.13 C ATOM 549 CG LEU A 39 3.362 2.814 -2.759 1.00 63.35 C ATOM 550 CD1 LEU A 39 3.367 4.026 -3.688 1.00 50.13 C ATOM 551 CD2 LEU A 39 4.267 1.725 -3.332 1.00 3.41 C ATOM 0 H LEU A 39 4.221 4.015 0.963 1.00 70.15 H new ATOM 0 HA LEU A 39 2.478 4.831 -1.108 1.00 63.33 H new ATOM 0 HB2 LEU A 39 4.728 3.731 -1.353 1.00 4.13 H new ATOM 0 HB3 LEU A 39 4.022 2.233 -0.781 1.00 4.13 H new ATOM 0 HG LEU A 39 2.333 2.460 -2.700 1.00 63.35 H new ATOM 0 HD11 LEU A 39 3.050 3.721 -4.685 1.00 50.13 H new ATOM 0 HD12 LEU A 39 2.681 4.781 -3.304 1.00 50.13 H new ATOM 0 HD13 LEU A 39 4.373 4.442 -3.739 1.00 50.13 H new ATOM 0 HD21 LEU A 39 3.952 1.488 -4.348 1.00 3.41 H new ATOM 0 HD22 LEU A 39 5.298 2.078 -3.345 1.00 3.41 H new ATOM 0 HD23 LEU A 39 4.197 0.831 -2.713 1.00 3.41 H new ATOM 562 N LEU A 40 1.389 2.430 0.853 1.00 13.34 N ATOM 563 CA LEU A 40 0.171 1.696 1.184 1.00 10.11 C ATOM 564 C LEU A 40 -1.010 2.666 1.261 1.00 10.22 C ATOM 565 O LEU A 40 -2.009 2.466 0.570 1.00 53.35 O ATOM 566 CB LEU A 40 0.314 0.876 2.477 1.00 65.15 C ATOM 567 CG LEU A 40 1.231 -0.357 2.362 1.00 32.50 C ATOM 568 CD1 LEU A 40 1.457 -0.950 3.758 1.00 1.31 C ATOM 569 CD2 LEU A 40 0.621 -1.452 1.474 1.00 53.02 C ATOM 0 H LEU A 40 2.128 2.365 1.553 1.00 13.34 H new ATOM 0 HA LEU A 40 -0.015 0.974 0.389 1.00 10.11 H new ATOM 0 HB2 LEU A 40 0.700 1.526 3.262 1.00 65.15 H new ATOM 0 HB3 LEU A 40 -0.676 0.547 2.793 1.00 65.15 H new ATOM 0 HG LEU A 40 2.167 -0.026 1.911 1.00 32.50 H new ATOM 0 HD11 LEU A 40 2.105 -1.823 3.682 1.00 1.31 H new ATOM 0 HD12 LEU A 40 1.927 -0.204 4.399 1.00 1.31 H new ATOM 0 HD13 LEU A 40 0.500 -1.246 4.187 1.00 1.31 H new ATOM 0 HD21 LEU A 40 1.303 -2.301 1.423 1.00 53.02 H new ATOM 0 HD22 LEU A 40 -0.330 -1.776 1.897 1.00 53.02 H new ATOM 0 HD23 LEU A 40 0.457 -1.058 0.471 1.00 53.02 H new ATOM 580 N ARG A 41 -0.953 3.707 2.104 1.00 71.25 N ATOM 581 CA ARG A 41 -2.118 4.588 2.263 1.00 50.23 C ATOM 582 C ARG A 41 -2.367 5.398 0.998 1.00 5.10 C ATOM 583 O ARG A 41 -3.529 5.570 0.637 1.00 23.42 O ATOM 584 CB ARG A 41 -1.993 5.535 3.470 1.00 63.22 C ATOM 585 CG ARG A 41 -3.147 5.391 4.477 1.00 21.34 C ATOM 586 CD ARG A 41 -4.482 5.924 3.930 1.00 11.32 C ATOM 587 NE ARG A 41 -5.537 5.853 4.956 1.00 72.14 N ATOM 588 CZ ARG A 41 -6.665 6.573 5.013 1.00 22.01 C ATOM 589 NH1 ARG A 41 -6.994 7.450 4.077 1.00 34.21 N ATOM 590 NH2 ARG A 41 -7.481 6.404 6.038 1.00 4.22 N ATOM 0 H ARG A 41 -0.141 3.955 2.669 1.00 71.25 H new ATOM 0 HA ARG A 41 -2.969 3.932 2.448 1.00 50.23 H new ATOM 0 HB2 ARG A 41 -1.049 5.341 3.979 1.00 63.22 H new ATOM 0 HB3 ARG A 41 -1.957 6.564 3.113 1.00 63.22 H new ATOM 0 HG2 ARG A 41 -3.262 4.340 4.744 1.00 21.34 H new ATOM 0 HG3 ARG A 41 -2.894 5.927 5.392 1.00 21.34 H new ATOM 0 HD2 ARG A 41 -4.359 6.956 3.601 1.00 11.32 H new ATOM 0 HD3 ARG A 41 -4.779 5.344 3.056 1.00 11.32 H new ATOM 0 HE ARG A 41 -5.392 5.179 5.708 1.00 72.14 H new ATOM 0 HH11 ARG A 41 -6.379 7.596 3.276 1.00 34.21 H new ATOM 0 HH12 ARG A 41 -7.862 7.979 4.157 1.00 34.21 H new ATOM 0 HH21 ARG A 41 -7.248 5.733 6.770 1.00 4.22 H new ATOM 0 HH22 ARG A 41 -8.344 6.944 6.097 1.00 4.22 H new ATOM 601 N VAL A 42 -1.313 5.905 0.350 1.00 65.45 N ATOM 602 CA VAL A 42 -1.463 6.820 -0.779 1.00 33.24 C ATOM 603 C VAL A 42 -2.261 6.165 -1.915 1.00 70.24 C ATOM 604 O VAL A 42 -3.030 6.847 -2.588 1.00 24.31 O ATOM 605 CB VAL A 42 -0.084 7.363 -1.214 1.00 12.50 C ATOM 606 CG1 VAL A 42 0.615 6.421 -2.187 1.00 63.35 C ATOM 607 CG2 VAL A 42 -0.146 8.760 -1.834 1.00 41.33 C ATOM 0 H VAL A 42 -0.345 5.694 0.592 1.00 65.45 H new ATOM 0 HA VAL A 42 -2.050 7.686 -0.472 1.00 33.24 H new ATOM 0 HB VAL A 42 0.491 7.431 -0.291 1.00 12.50 H new ATOM 0 HG11 VAL A 42 1.581 6.840 -2.468 1.00 63.35 H new ATOM 0 HG12 VAL A 42 0.764 5.452 -1.711 1.00 63.35 H new ATOM 0 HG13 VAL A 42 0.000 6.297 -3.078 1.00 63.35 H new ATOM 0 HG21 VAL A 42 0.858 9.078 -2.116 1.00 41.33 H new ATOM 0 HG22 VAL A 42 -0.781 8.737 -2.719 1.00 41.33 H new ATOM 0 HG23 VAL A 42 -0.559 9.462 -1.109 1.00 41.33 H new ATOM 617 N TYR A 43 -2.099 4.846 -2.103 1.00 45.34 N ATOM 618 CA TYR A 43 -2.712 4.138 -3.210 1.00 70.45 C ATOM 619 C TYR A 43 -4.232 4.150 -3.092 1.00 43.22 C ATOM 620 O TYR A 43 -4.917 4.483 -4.054 1.00 74.22 O ATOM 621 CB TYR A 43 -2.157 2.708 -3.305 1.00 72.33 C ATOM 622 CG TYR A 43 -2.166 2.199 -4.726 1.00 21.43 C ATOM 623 CD1 TYR A 43 -1.204 2.706 -5.610 1.00 41.34 C ATOM 624 CD2 TYR A 43 -3.125 1.275 -5.186 1.00 4.31 C ATOM 625 CE1 TYR A 43 -1.191 2.319 -6.955 1.00 45.43 C ATOM 626 CE2 TYR A 43 -3.109 0.866 -6.533 1.00 22.04 C ATOM 627 CZ TYR A 43 -2.147 1.397 -7.430 1.00 11.51 C ATOM 628 OH TYR A 43 -2.142 1.044 -8.745 1.00 5.32 O ATOM 0 H TYR A 43 -1.540 4.253 -1.489 1.00 45.34 H new ATOM 0 HA TYR A 43 -2.459 4.654 -4.136 1.00 70.45 H new ATOM 0 HB2 TYR A 43 -1.139 2.686 -2.917 1.00 72.33 H new ATOM 0 HB3 TYR A 43 -2.751 2.044 -2.677 1.00 72.33 H new ATOM 0 HD1 TYR A 43 -0.463 3.404 -5.249 1.00 41.34 H new ATOM 0 HD2 TYR A 43 -3.869 0.882 -4.509 1.00 4.31 H new ATOM 0 HE1 TYR A 43 -0.450 2.726 -7.628 1.00 45.43 H new ATOM 0 HE2 TYR A 43 -3.832 0.145 -6.885 1.00 22.04 H new ATOM 0 HH TYR A 43 -2.861 0.400 -8.914 1.00 5.32 H new ATOM 637 N SER A 44 -4.750 3.784 -1.909 1.00 61.41 N ATOM 638 CA SER A 44 -6.167 3.822 -1.570 1.00 74.44 C ATOM 639 C SER A 44 -7.018 3.268 -2.725 1.00 54.32 C ATOM 640 O SER A 44 -7.640 4.061 -3.428 1.00 12.31 O ATOM 641 CB SER A 44 -6.560 5.234 -1.097 1.00 54.23 C ATOM 642 OG SER A 44 -7.962 5.453 -1.087 1.00 30.33 O ATOM 0 H SER A 44 -4.169 3.444 -1.143 1.00 61.41 H new ATOM 0 HA SER A 44 -6.371 3.161 -0.727 1.00 74.44 H new ATOM 0 HB2 SER A 44 -6.167 5.396 -0.093 1.00 54.23 H new ATOM 0 HB3 SER A 44 -6.089 5.972 -1.747 1.00 54.23 H new ATOM 0 HG SER A 44 -8.346 5.156 -1.938 1.00 30.33 H new ATOM 647 N PRO A 45 -7.149 1.946 -2.913 1.00 43.13 N ATOM 648 CA PRO A 45 -7.975 1.396 -3.988 1.00 54.54 C ATOM 649 C PRO A 45 -9.457 1.775 -3.809 1.00 11.54 C ATOM 650 O PRO A 45 -10.257 1.654 -4.735 1.00 65.34 O ATOM 651 CB PRO A 45 -7.760 -0.117 -3.905 1.00 72.25 C ATOM 652 CG PRO A 45 -7.559 -0.320 -2.404 1.00 71.43 C ATOM 653 CD PRO A 45 -6.745 0.904 -1.992 1.00 30.31 C ATOM 0 HA PRO A 45 -7.697 1.792 -4.965 1.00 54.54 H new ATOM 0 HB2 PRO A 45 -8.618 -0.674 -4.282 1.00 72.25 H new ATOM 0 HB3 PRO A 45 -6.893 -0.439 -4.481 1.00 72.25 H new ATOM 0 HG2 PRO A 45 -8.510 -0.368 -1.873 1.00 71.43 H new ATOM 0 HG3 PRO A 45 -7.027 -1.247 -2.191 1.00 71.43 H new ATOM 0 HD2 PRO A 45 -6.952 1.187 -0.960 1.00 30.31 H new ATOM 0 HD3 PRO A 45 -5.675 0.709 -2.061 1.00 30.31 H new ATOM 658 N SER A 46 -9.835 2.223 -2.609 1.00 64.35 N ATOM 659 CA SER A 46 -11.146 2.682 -2.190 1.00 33.03 C ATOM 660 C SER A 46 -11.335 4.191 -2.429 1.00 72.34 C ATOM 661 O SER A 46 -12.207 4.798 -1.808 1.00 23.11 O ATOM 662 CB SER A 46 -11.249 2.327 -0.696 1.00 52.22 C ATOM 663 OG SER A 46 -12.530 1.866 -0.305 1.00 4.30 O ATOM 0 H SER A 46 -9.164 2.275 -1.842 1.00 64.35 H new ATOM 0 HA SER A 46 -11.934 2.204 -2.771 1.00 33.03 H new ATOM 0 HB2 SER A 46 -10.510 1.560 -0.463 1.00 52.22 H new ATOM 0 HB3 SER A 46 -10.993 3.206 -0.105 1.00 52.22 H new ATOM 0 HG SER A 46 -12.524 1.658 0.653 1.00 4.30 H new ATOM 668 N ALA A 47 -10.481 4.827 -3.235 1.00 10.34 N ATOM 669 CA ALA A 47 -10.416 6.281 -3.356 1.00 33.41 C ATOM 670 C ALA A 47 -11.676 6.846 -3.998 1.00 44.41 C ATOM 671 O ALA A 47 -12.287 7.757 -3.436 1.00 51.55 O ATOM 672 CB ALA A 47 -9.219 6.677 -4.204 1.00 14.21 C ATOM 0 H ALA A 47 -9.809 4.339 -3.827 1.00 10.34 H new ATOM 0 HA ALA A 47 -10.322 6.689 -2.350 1.00 33.41 H new ATOM 0 HB1 ALA A 47 -9.177 7.763 -4.290 1.00 14.21 H new ATOM 0 HB2 ALA A 47 -8.305 6.315 -3.734 1.00 14.21 H new ATOM 0 HB3 ALA A 47 -9.315 6.238 -5.197 1.00 14.21 H new ATOM 678 N GLU A 48 -12.072 6.303 -5.149 1.00 32.12 N ATOM 679 CA GLU A 48 -13.305 6.642 -5.866 1.00 44.32 C ATOM 680 C GLU A 48 -14.549 6.091 -5.154 1.00 54.11 C ATOM 681 O GLU A 48 -15.465 5.546 -5.766 1.00 33.33 O ATOM 682 CB GLU A 48 -13.223 6.194 -7.324 1.00 43.40 C ATOM 683 CG GLU A 48 -12.928 4.697 -7.416 1.00 71.24 C ATOM 684 CD GLU A 48 -13.472 4.110 -8.709 1.00 41.31 C ATOM 685 OE1 GLU A 48 -14.703 3.917 -8.810 1.00 62.02 O ATOM 686 OE2 GLU A 48 -12.664 3.786 -9.607 1.00 33.25 O ATOM 0 H GLU A 48 -11.524 5.588 -5.627 1.00 32.12 H new ATOM 0 HA GLU A 48 -13.409 7.727 -5.864 1.00 44.32 H new ATOM 0 HB2 GLU A 48 -14.162 6.416 -7.831 1.00 43.40 H new ATOM 0 HB3 GLU A 48 -12.443 6.755 -7.838 1.00 43.40 H new ATOM 0 HG2 GLU A 48 -11.852 4.531 -7.362 1.00 71.24 H new ATOM 0 HG3 GLU A 48 -13.373 4.183 -6.564 1.00 71.24 H new ATOM 691 N VAL A 49 -14.556 6.185 -3.833 1.00 71.02 N ATOM 692 CA VAL A 49 -15.610 5.760 -2.939 1.00 70.31 C ATOM 693 C VAL A 49 -15.683 6.731 -1.758 1.00 34.31 C ATOM 694 O VAL A 49 -15.794 6.384 -0.581 1.00 14.55 O ATOM 695 CB VAL A 49 -15.416 4.327 -2.466 1.00 21.42 C ATOM 696 CG1 VAL A 49 -16.835 3.913 -2.069 1.00 45.22 C ATOM 697 CG2 VAL A 49 -14.754 3.344 -3.445 1.00 22.23 C ATOM 0 H VAL A 49 -13.768 6.589 -3.327 1.00 71.02 H new ATOM 0 HA VAL A 49 -16.555 5.776 -3.482 1.00 70.31 H new ATOM 0 HB VAL A 49 -14.684 4.290 -1.659 1.00 21.42 H new ATOM 0 HG11 VAL A 49 -16.826 2.885 -1.707 1.00 45.22 H new ATOM 0 HG12 VAL A 49 -17.199 4.572 -1.281 1.00 45.22 H new ATOM 0 HG13 VAL A 49 -17.491 3.986 -2.936 1.00 45.22 H new ATOM 0 HG21 VAL A 49 -14.679 2.362 -2.979 1.00 22.23 H new ATOM 0 HG22 VAL A 49 -15.357 3.271 -4.350 1.00 22.23 H new ATOM 0 HG23 VAL A 49 -13.757 3.702 -3.701 1.00 22.23 H new ATOM 707 N HIS A 50 -15.448 7.984 -2.067 1.00 54.44 N ATOM 708 CA HIS A 50 -15.724 9.118 -1.217 1.00 53.20 C ATOM 709 C HIS A 50 -17.247 9.180 -1.032 1.00 25.41 C ATOM 710 O HIS A 50 -17.949 9.858 -1.783 1.00 24.15 O ATOM 711 CB HIS A 50 -15.105 10.321 -1.918 1.00 25.45 C ATOM 712 CG HIS A 50 -14.411 11.274 -0.976 1.00 50.13 C ATOM 713 ND1 HIS A 50 -14.872 12.495 -0.543 1.00 50.21 N ATOM 714 CD2 HIS A 50 -13.198 11.064 -0.388 1.00 5.53 C ATOM 715 CE1 HIS A 50 -13.939 13.022 0.270 1.00 23.12 C ATOM 716 NE2 HIS A 50 -12.885 12.191 0.384 1.00 34.04 N ATOM 0 H HIS A 50 -15.039 8.254 -2.962 1.00 54.44 H new ATOM 0 HA HIS A 50 -15.298 9.070 -0.215 1.00 53.20 H new ATOM 0 HB2 HIS A 50 -14.388 9.970 -2.661 1.00 25.45 H new ATOM 0 HB3 HIS A 50 -15.885 10.859 -2.457 1.00 25.45 H new ATOM 0 HD2 HIS A 50 -12.585 10.182 -0.498 1.00 5.53 H new ATOM 0 HE1 HIS A 50 -14.023 13.979 0.763 1.00 23.12 H new ATOM 0 HE2 HIS A 50 -12.033 12.350 0.922 1.00 34.04 H new ATOM 723 N GLY A 51 -17.783 8.372 -0.119 1.00 24.25 N ATOM 724 CA GLY A 51 -19.207 8.264 0.164 1.00 54.53 C ATOM 725 C GLY A 51 -19.909 7.424 -0.897 1.00 45.23 C ATOM 726 O GLY A 51 -20.335 6.301 -0.615 1.00 14.25 O ATOM 0 H GLY A 51 -17.216 7.755 0.462 1.00 24.25 H new ATOM 0 HA2 GLY A 51 -19.354 7.814 1.146 1.00 54.53 H new ATOM 0 HA3 GLY A 51 -19.652 9.259 0.199 1.00 54.53 H new ATOM 730 N HIS A 52 -20.012 7.947 -2.119 1.00 63.34 N ATOM 731 CA HIS A 52 -20.721 7.328 -3.230 1.00 62.42 C ATOM 732 C HIS A 52 -19.714 6.685 -4.196 1.00 13.41 C ATOM 733 O HIS A 52 -19.347 5.524 -4.003 1.00 32.32 O ATOM 734 CB HIS A 52 -21.538 8.419 -3.921 1.00 11.23 C ATOM 735 CG HIS A 52 -22.736 8.925 -3.176 1.00 11.45 C ATOM 736 ND1 HIS A 52 -23.955 8.300 -3.046 1.00 64.21 N ATOM 737 CD2 HIS A 52 -22.855 10.176 -2.651 1.00 31.34 C ATOM 738 CE1 HIS A 52 -24.788 9.157 -2.433 1.00 1.32 C ATOM 739 NE2 HIS A 52 -24.151 10.304 -2.141 1.00 5.22 N ATOM 0 H HIS A 52 -19.589 8.842 -2.367 1.00 63.34 H new ATOM 0 HA HIS A 52 -21.387 6.538 -2.882 1.00 62.42 H new ATOM 0 HB2 HIS A 52 -20.879 9.263 -4.123 1.00 11.23 H new ATOM 0 HB3 HIS A 52 -21.872 8.037 -4.886 1.00 11.23 H new ATOM 0 HD2 HIS A 52 -22.086 10.934 -2.632 1.00 31.34 H new ATOM 0 HE1 HIS A 52 -25.824 8.953 -2.207 1.00 1.32 H new ATOM 0 HE2 HIS A 52 -24.536 11.108 -1.646 1.00 5.22 H new ATOM 746 N GLY A 53 -19.175 7.441 -5.160 1.00 34.02 N ATOM 747 CA GLY A 53 -18.287 6.889 -6.176 1.00 54.14 C ATOM 748 C GLY A 53 -17.447 7.920 -6.927 1.00 44.13 C ATOM 749 O GLY A 53 -16.818 7.593 -7.936 1.00 71.10 O ATOM 0 H GLY A 53 -19.343 8.443 -5.253 1.00 34.02 H new ATOM 0 HA2 GLY A 53 -17.617 6.173 -5.701 1.00 54.14 H new ATOM 0 HA3 GLY A 53 -18.886 6.335 -6.898 1.00 54.14 H new ATOM 753 N ASN A 54 -17.467 9.167 -6.462 1.00 72.34 N ATOM 754 CA ASN A 54 -16.664 10.274 -6.968 1.00 72.41 C ATOM 755 C ASN A 54 -15.238 10.195 -6.394 1.00 3.24 C ATOM 756 O ASN A 54 -15.027 9.523 -5.377 1.00 62.00 O ATOM 757 CB ASN A 54 -17.372 11.601 -6.647 1.00 44.52 C ATOM 758 CG ASN A 54 -17.807 11.714 -5.197 1.00 52.44 C ATOM 759 OD1 ASN A 54 -17.047 12.144 -4.342 1.00 10.35 O ATOM 760 ND2 ASN A 54 -19.036 11.329 -4.889 1.00 33.02 N ATOM 0 H ASN A 54 -18.071 9.444 -5.688 1.00 72.34 H new ATOM 0 HA ASN A 54 -16.565 10.213 -8.052 1.00 72.41 H new ATOM 0 HB2 ASN A 54 -16.703 12.428 -6.884 1.00 44.52 H new ATOM 0 HB3 ASN A 54 -18.246 11.703 -7.290 1.00 44.52 H new ATOM 0 HD21 ASN A 54 -19.363 11.389 -3.925 1.00 33.02 H new ATOM 0 HD22 ASN A 54 -19.656 10.973 -5.616 1.00 33.02 H new ATOM 766 N PRO A 55 -14.248 10.809 -7.071 1.00 25.13 N ATOM 767 CA PRO A 55 -12.829 10.551 -6.840 1.00 13.33 C ATOM 768 C PRO A 55 -12.261 11.363 -5.674 1.00 52.44 C ATOM 769 O PRO A 55 -12.899 12.271 -5.131 1.00 50.10 O ATOM 770 CB PRO A 55 -12.146 10.924 -8.162 1.00 10.32 C ATOM 771 CG PRO A 55 -13.003 12.086 -8.653 1.00 12.43 C ATOM 772 CD PRO A 55 -14.406 11.647 -8.255 1.00 45.13 C ATOM 0 HA PRO A 55 -12.659 9.512 -6.558 1.00 13.33 H new ATOM 0 HB2 PRO A 55 -11.107 11.219 -8.014 1.00 10.32 H new ATOM 0 HB3 PRO A 55 -12.144 10.093 -8.868 1.00 10.32 H new ATOM 0 HG2 PRO A 55 -12.722 13.027 -8.180 1.00 12.43 H new ATOM 0 HG3 PRO A 55 -12.913 12.231 -9.729 1.00 12.43 H new ATOM 0 HD2 PRO A 55 -15.038 12.509 -8.041 1.00 45.13 H new ATOM 0 HD3 PRO A 55 -14.885 11.094 -9.063 1.00 45.13 H new ATOM 777 N VAL A 56 -11.006 11.067 -5.337 1.00 72.14 N ATOM 778 CA VAL A 56 -10.136 11.864 -4.484 1.00 52.55 C ATOM 779 C VAL A 56 -8.683 11.628 -4.945 1.00 1.40 C ATOM 780 O VAL A 56 -8.439 10.788 -5.823 1.00 1.41 O ATOM 781 CB VAL A 56 -10.459 11.578 -3.004 1.00 13.10 C ATOM 782 CG1 VAL A 56 -9.949 10.203 -2.624 1.00 22.42 C ATOM 783 CG2 VAL A 56 -9.934 12.638 -2.029 1.00 5.13 C ATOM 0 H VAL A 56 -10.548 10.219 -5.671 1.00 72.14 H new ATOM 0 HA VAL A 56 -10.299 12.938 -4.575 1.00 52.55 H new ATOM 0 HB VAL A 56 -11.545 11.615 -2.915 1.00 13.10 H new ATOM 0 HG11 VAL A 56 -10.180 10.006 -1.577 1.00 22.42 H new ATOM 0 HG12 VAL A 56 -10.430 9.451 -3.249 1.00 22.42 H new ATOM 0 HG13 VAL A 56 -8.870 10.162 -2.772 1.00 22.42 H new ATOM 0 HG21 VAL A 56 -10.204 12.361 -1.010 1.00 5.13 H new ATOM 0 HG22 VAL A 56 -8.849 12.703 -2.112 1.00 5.13 H new ATOM 0 HG23 VAL A 56 -10.375 13.605 -2.271 1.00 5.13 H new ATOM 793 N LEU A 57 -7.722 12.347 -4.367 1.00 44.42 N ATOM 794 CA LEU A 57 -6.278 12.175 -4.487 1.00 11.11 C ATOM 795 C LEU A 57 -5.696 12.161 -3.072 1.00 14.54 C ATOM 796 O LEU A 57 -6.288 12.786 -2.182 1.00 24.21 O ATOM 797 CB LEU A 57 -5.732 13.391 -5.238 1.00 54.53 C ATOM 798 CG LEU A 57 -4.238 13.285 -5.600 1.00 72.42 C ATOM 799 CD1 LEU A 57 -4.083 13.245 -7.116 1.00 12.52 C ATOM 800 CD2 LEU A 57 -3.457 14.461 -5.006 1.00 64.32 C ATOM 0 H LEU A 57 -7.954 13.128 -3.753 1.00 44.42 H new ATOM 0 HA LEU A 57 -6.021 11.255 -5.012 1.00 11.11 H new ATOM 0 HB2 LEU A 57 -6.308 13.529 -6.153 1.00 54.53 H new ATOM 0 HB3 LEU A 57 -5.885 14.281 -4.628 1.00 54.53 H new ATOM 0 HG LEU A 57 -3.832 12.366 -5.178 1.00 72.42 H new ATOM 0 HD11 LEU A 57 -3.026 13.170 -7.372 1.00 12.52 H new ATOM 0 HD12 LEU A 57 -4.615 12.380 -7.513 1.00 12.52 H new ATOM 0 HD13 LEU A 57 -4.497 14.156 -7.548 1.00 12.52 H new ATOM 0 HD21 LEU A 57 -2.404 14.370 -5.272 1.00 64.32 H new ATOM 0 HD22 LEU A 57 -3.851 15.397 -5.402 1.00 64.32 H new ATOM 0 HD23 LEU A 57 -3.559 14.455 -3.921 1.00 64.32 H new ATOM 811 N VAL A 58 -4.525 11.563 -2.855 1.00 64.44 N ATOM 812 CA VAL A 58 -3.901 11.496 -1.534 1.00 43.12 C ATOM 813 C VAL A 58 -2.651 12.383 -1.475 1.00 12.52 C ATOM 814 O VAL A 58 -1.921 12.547 -2.456 1.00 70.12 O ATOM 815 CB VAL A 58 -3.649 10.025 -1.134 1.00 43.55 C ATOM 816 CG1 VAL A 58 -3.236 9.936 0.336 1.00 43.41 C ATOM 817 CG2 VAL A 58 -4.904 9.171 -1.294 1.00 42.14 C ATOM 0 H VAL A 58 -3.982 11.111 -3.591 1.00 64.44 H new ATOM 0 HA VAL A 58 -4.582 11.901 -0.786 1.00 43.12 H new ATOM 0 HB VAL A 58 -2.862 9.657 -1.792 1.00 43.55 H new ATOM 0 HG11 VAL A 58 -3.062 8.894 0.603 1.00 43.41 H new ATOM 0 HG12 VAL A 58 -2.321 10.508 0.492 1.00 43.41 H new ATOM 0 HG13 VAL A 58 -4.030 10.343 0.962 1.00 43.41 H new ATOM 0 HG21 VAL A 58 -4.685 8.144 -1.003 1.00 42.14 H new ATOM 0 HG22 VAL A 58 -5.697 9.567 -0.659 1.00 42.14 H new ATOM 0 HG23 VAL A 58 -5.228 9.192 -2.335 1.00 42.14 H new ATOM 827 N THR A 59 -2.426 12.982 -0.305 1.00 54.45 N ATOM 828 CA THR A 59 -1.265 13.787 0.047 1.00 34.43 C ATOM 829 C THR A 59 -0.072 12.894 0.392 1.00 41.22 C ATOM 830 O THR A 59 -0.156 11.668 0.292 1.00 74.41 O ATOM 831 CB THR A 59 -1.664 14.712 1.216 1.00 71.34 C ATOM 832 OG1 THR A 59 -2.433 14.043 2.200 1.00 70.31 O ATOM 833 CG2 THR A 59 -2.479 15.869 0.656 1.00 51.51 C ATOM 0 H THR A 59 -3.091 12.911 0.465 1.00 54.45 H new ATOM 0 HA THR A 59 -0.950 14.399 -0.798 1.00 34.43 H new ATOM 0 HB THR A 59 -0.750 15.059 1.697 1.00 71.34 H new ATOM 0 HG1 THR A 59 -2.660 14.669 2.919 1.00 70.31 H new ATOM 0 HG21 THR A 59 -2.771 16.535 1.468 1.00 51.51 H new ATOM 0 HG22 THR A 59 -1.879 16.420 -0.068 1.00 51.51 H new ATOM 0 HG23 THR A 59 -3.372 15.481 0.166 1.00 51.51 H new ATOM 841 N HIS A 60 1.049 13.502 0.800 1.00 31.30 N ATOM 842 CA HIS A 60 2.180 12.753 1.332 1.00 43.04 C ATOM 843 C HIS A 60 1.797 11.941 2.596 1.00 63.15 C ATOM 844 O HIS A 60 0.665 12.066 3.080 1.00 42.44 O ATOM 845 CB HIS A 60 3.424 13.639 1.442 1.00 72.23 C ATOM 846 CG HIS A 60 3.836 14.362 0.186 1.00 70.25 C ATOM 847 ND1 HIS A 60 4.095 13.818 -1.055 1.00 13.24 N ATOM 848 CD2 HIS A 60 4.191 15.677 0.139 1.00 22.31 C ATOM 849 CE1 HIS A 60 4.586 14.804 -1.828 1.00 2.11 C ATOM 850 NE2 HIS A 60 4.648 15.960 -1.149 1.00 41.35 N ATOM 0 H HIS A 60 1.191 14.512 0.769 1.00 31.30 H new ATOM 0 HA HIS A 60 2.467 11.978 0.621 1.00 43.04 H new ATOM 0 HB2 HIS A 60 3.250 14.379 2.223 1.00 72.23 H new ATOM 0 HB3 HIS A 60 4.258 13.020 1.771 1.00 72.23 H new ATOM 0 HD2 HIS A 60 4.129 16.379 0.957 1.00 22.31 H new ATOM 0 HE1 HIS A 60 4.890 14.681 -2.857 1.00 2.11 H new ATOM 0 HE2 HIS A 60 4.965 16.863 -1.503 1.00 41.35 H new ATOM 857 N LYS A 61 2.681 11.110 3.166 1.00 64.42 N ATOM 858 CA LYS A 61 2.404 10.374 4.406 1.00 24.30 C ATOM 859 C LYS A 61 3.707 10.135 5.177 1.00 4.22 C ATOM 860 O LYS A 61 4.682 9.647 4.618 1.00 45.24 O ATOM 861 CB LYS A 61 1.756 9.038 4.029 1.00 63.13 C ATOM 862 CG LYS A 61 1.155 8.246 5.200 1.00 3.23 C ATOM 863 CD LYS A 61 -0.379 8.266 5.189 1.00 73.45 C ATOM 864 CE LYS A 61 -0.950 9.619 5.620 1.00 42.24 C ATOM 865 NZ LYS A 61 -2.378 9.734 5.276 1.00 22.22 N ATOM 0 H LYS A 61 3.608 10.930 2.780 1.00 64.42 H new ATOM 0 HA LYS A 61 1.733 10.948 5.046 1.00 24.30 H new ATOM 0 HB2 LYS A 61 0.969 9.228 3.299 1.00 63.13 H new ATOM 0 HB3 LYS A 61 2.504 8.416 3.537 1.00 63.13 H new ATOM 0 HG2 LYS A 61 1.503 7.214 5.155 1.00 3.23 H new ATOM 0 HG3 LYS A 61 1.515 8.663 6.141 1.00 3.23 H new ATOM 0 HD2 LYS A 61 -0.735 8.027 4.187 1.00 73.45 H new ATOM 0 HD3 LYS A 61 -0.754 7.488 5.854 1.00 73.45 H new ATOM 0 HE2 LYS A 61 -0.822 9.744 6.695 1.00 42.24 H new ATOM 0 HE3 LYS A 61 -0.392 10.421 5.137 1.00 42.24 H new ATOM 0 HZ1 LYS A 61 -2.735 10.662 5.581 1.00 22.22 H new ATOM 0 HZ2 LYS A 61 -2.496 9.639 4.247 1.00 22.22 H new ATOM 0 HZ3 LYS A 61 -2.912 8.982 5.757 1.00 22.22 H new ATOM 875 N LYS A 62 3.645 10.455 6.469 1.00 22.32 N ATOM 876 CA LYS A 62 4.771 10.725 7.355 1.00 22.40 C ATOM 877 C LYS A 62 5.516 9.468 7.764 1.00 61.54 C ATOM 878 O LYS A 62 6.556 9.108 7.216 1.00 54.21 O ATOM 879 CB LYS A 62 4.281 11.564 8.585 1.00 70.54 C ATOM 880 CG LYS A 62 2.889 11.214 9.138 1.00 13.13 C ATOM 881 CD LYS A 62 1.779 12.133 8.585 1.00 34.53 C ATOM 882 CE LYS A 62 0.474 11.370 8.369 1.00 4.22 C ATOM 883 NZ LYS A 62 0.021 10.731 9.626 1.00 31.20 N ATOM 0 H LYS A 62 2.751 10.537 6.952 1.00 22.32 H new ATOM 0 HA LYS A 62 5.504 11.315 6.804 1.00 22.40 H new ATOM 0 HB2 LYS A 62 5.008 11.448 9.389 1.00 70.54 H new ATOM 0 HB3 LYS A 62 4.282 12.617 8.303 1.00 70.54 H new ATOM 0 HG2 LYS A 62 2.654 10.179 8.891 1.00 13.13 H new ATOM 0 HG3 LYS A 62 2.906 11.286 10.225 1.00 13.13 H new ATOM 0 HD2 LYS A 62 1.609 12.957 9.278 1.00 34.53 H new ATOM 0 HD3 LYS A 62 2.105 12.572 7.642 1.00 34.53 H new ATOM 0 HE2 LYS A 62 -0.295 12.052 8.005 1.00 4.22 H new ATOM 0 HE3 LYS A 62 0.615 10.610 7.600 1.00 4.22 H new ATOM 0 HZ1 LYS A 62 -0.885 10.247 9.462 1.00 31.20 H new ATOM 0 HZ2 LYS A 62 0.732 10.039 9.940 1.00 31.20 H new ATOM 0 HZ3 LYS A 62 -0.102 11.457 10.360 1.00 31.20 H new ATOM 893 N ASN A 63 4.987 8.854 8.814 1.00 74.11 N ATOM 894 CA ASN A 63 5.570 7.804 9.617 1.00 25.52 C ATOM 895 C ASN A 63 4.388 7.100 10.293 1.00 51.12 C ATOM 896 O ASN A 63 3.947 7.479 11.374 1.00 5.32 O ATOM 897 CB ASN A 63 6.603 8.396 10.607 1.00 64.11 C ATOM 898 CG ASN A 63 6.178 9.668 11.356 1.00 1.34 C ATOM 899 OD1 ASN A 63 6.750 10.822 11.038 1.00 34.22 O flip ATOM 900 ND2 ASN A 63 5.344 9.633 12.257 1.00 31.12 N flip ATOM 0 H ASN A 63 4.057 9.105 9.149 1.00 74.11 H new ATOM 0 HA ASN A 63 6.136 7.079 9.032 1.00 25.52 H new ATOM 0 HB2 ASN A 63 6.848 7.631 11.344 1.00 64.11 H new ATOM 0 HB3 ASN A 63 7.519 8.613 10.057 1.00 64.11 H new ATOM 0 HD21 ASN A 63 4.900 8.749 12.507 1.00 31.12 H new ATOM 0 HD22 ASN A 63 5.095 10.488 12.755 1.00 31.12 H new ATOM 906 N VAL A 64 3.782 6.139 9.602 1.00 42.03 N ATOM 907 CA VAL A 64 2.626 5.371 10.085 1.00 21.41 C ATOM 908 C VAL A 64 3.103 4.000 10.602 1.00 45.01 C ATOM 909 O VAL A 64 4.185 3.532 10.229 1.00 30.22 O ATOM 910 CB VAL A 64 1.581 5.237 8.947 1.00 73.13 C ATOM 911 CG1 VAL A 64 0.169 5.013 9.508 1.00 10.24 C ATOM 912 CG2 VAL A 64 1.511 6.473 8.025 1.00 34.40 C ATOM 0 H VAL A 64 4.084 5.862 8.668 1.00 42.03 H new ATOM 0 HA VAL A 64 2.144 5.888 10.914 1.00 21.41 H new ATOM 0 HB VAL A 64 1.918 4.379 8.366 1.00 73.13 H new ATOM 0 HG11 VAL A 64 -0.540 4.923 8.685 1.00 10.24 H new ATOM 0 HG12 VAL A 64 0.154 4.099 10.101 1.00 10.24 H new ATOM 0 HG13 VAL A 64 -0.111 5.858 10.137 1.00 10.24 H new ATOM 0 HG21 VAL A 64 0.760 6.309 7.253 1.00 34.40 H new ATOM 0 HG22 VAL A 64 1.242 7.351 8.613 1.00 34.40 H new ATOM 0 HG23 VAL A 64 2.482 6.634 7.558 1.00 34.40 H new ATOM 922 N ASN A 65 2.312 3.308 11.429 1.00 61.31 N ATOM 923 CA ASN A 65 2.596 1.942 11.880 1.00 62.43 C ATOM 924 C ASN A 65 1.337 1.093 11.723 1.00 12.02 C ATOM 925 O ASN A 65 0.231 1.558 12.008 1.00 44.12 O ATOM 926 CB ASN A 65 3.046 1.921 13.353 1.00 13.30 C ATOM 927 CG ASN A 65 4.491 2.323 13.651 1.00 32.53 C ATOM 928 OD1 ASN A 65 4.853 2.397 14.822 1.00 71.44 O ATOM 929 ND2 ASN A 65 5.368 2.517 12.677 1.00 2.32 N ATOM 0 H ASN A 65 1.444 3.687 11.809 1.00 61.31 H new ATOM 0 HA ASN A 65 3.405 1.539 11.272 1.00 62.43 H new ATOM 0 HB2 ASN A 65 2.389 2.584 13.916 1.00 13.30 H new ATOM 0 HB3 ASN A 65 2.890 0.914 13.739 1.00 13.30 H new ATOM 0 HD21 ASN A 65 6.341 2.727 12.901 1.00 2.32 H new ATOM 0 HD22 ASN A 65 5.070 2.456 11.703 1.00 2.32 H new ATOM 935 N ILE A 66 1.491 -0.170 11.310 1.00 11.12 N ATOM 936 CA ILE A 66 0.373 -1.103 11.166 1.00 41.14 C ATOM 937 C ILE A 66 0.224 -1.899 12.453 1.00 34.20 C ATOM 938 O ILE A 66 1.211 -2.308 13.070 1.00 1.44 O ATOM 939 CB ILE A 66 0.570 -2.025 9.942 1.00 64.43 C ATOM 940 CG1 ILE A 66 0.488 -1.159 8.669 1.00 5.32 C ATOM 941 CG2 ILE A 66 -0.401 -3.227 9.857 1.00 2.02 C ATOM 942 CD1 ILE A 66 0.526 -1.986 7.391 1.00 12.44 C ATOM 0 H ILE A 66 2.396 -0.572 11.066 1.00 11.12 H new ATOM 0 HA ILE A 66 -0.546 -0.544 10.989 1.00 41.14 H new ATOM 0 HB ILE A 66 1.551 -2.488 10.049 1.00 64.43 H new ATOM 0 HG12 ILE A 66 -0.432 -0.574 8.691 1.00 5.32 H new ATOM 0 HG13 ILE A 66 1.316 -0.450 8.663 1.00 5.32 H new ATOM 0 HG21 ILE A 66 -0.180 -3.811 8.963 1.00 2.02 H new ATOM 0 HG22 ILE A 66 -0.281 -3.855 10.740 1.00 2.02 H new ATOM 0 HG23 ILE A 66 -1.427 -2.863 9.808 1.00 2.02 H new ATOM 0 HD11 ILE A 66 0.465 -1.324 6.527 1.00 12.44 H new ATOM 0 HD12 ILE A 66 1.458 -2.551 7.350 1.00 12.44 H new ATOM 0 HD13 ILE A 66 -0.317 -2.676 7.379 1.00 12.44 H new ATOM 953 N ASN A 67 -1.026 -2.150 12.825 1.00 5.02 N ATOM 954 CA ASN A 67 -1.401 -2.894 14.013 1.00 24.13 C ATOM 955 C ASN A 67 -1.448 -4.371 13.679 1.00 33.41 C ATOM 956 O ASN A 67 -0.812 -5.188 14.344 1.00 54.11 O ATOM 957 CB ASN A 67 -2.763 -2.402 14.540 1.00 64.52 C ATOM 958 CG ASN A 67 -2.566 -1.812 15.925 1.00 4.43 C ATOM 959 OD1 ASN A 67 -2.398 -2.541 16.893 1.00 32.20 O ATOM 960 ND2 ASN A 67 -2.492 -0.497 16.007 1.00 62.43 N ATOM 0 H ASN A 67 -1.831 -1.828 12.287 1.00 5.02 H new ATOM 0 HA ASN A 67 -0.662 -2.733 14.798 1.00 24.13 H new ATOM 0 HB2 ASN A 67 -3.180 -1.653 13.867 1.00 64.52 H new ATOM 0 HB3 ASN A 67 -3.474 -3.228 14.579 1.00 64.52 H new ATOM 0 HD21 ASN A 67 -2.288 -0.053 16.902 1.00 62.43 H new ATOM 0 HD22 ASN A 67 -2.639 0.075 15.175 1.00 62.43 H new ATOM 966 N ALA A 68 -2.181 -4.726 12.627 1.00 34.31 N ATOM 967 CA ALA A 68 -2.595 -6.090 12.362 1.00 45.42 C ATOM 968 C ALA A 68 -2.961 -6.216 10.888 1.00 10.11 C ATOM 969 O ALA A 68 -2.929 -5.238 10.136 1.00 1.34 O ATOM 970 CB ALA A 68 -3.789 -6.432 13.262 1.00 63.21 C ATOM 0 H ALA A 68 -2.506 -4.059 11.927 1.00 34.31 H new ATOM 0 HA ALA A 68 -1.788 -6.789 12.580 1.00 45.42 H new ATOM 0 HB1 ALA A 68 -4.108 -7.456 13.070 1.00 63.21 H new ATOM 0 HB2 ALA A 68 -3.497 -6.333 14.307 1.00 63.21 H new ATOM 0 HB3 ALA A 68 -4.612 -5.750 13.049 1.00 63.21 H new ATOM 976 N ILE A 69 -3.275 -7.436 10.477 1.00 74.52 N ATOM 977 CA ILE A 69 -3.558 -7.840 9.114 1.00 34.51 C ATOM 978 C ILE A 69 -4.677 -8.862 9.267 1.00 32.33 C ATOM 979 O ILE A 69 -4.567 -9.736 10.130 1.00 74.31 O ATOM 980 CB ILE A 69 -2.280 -8.454 8.496 1.00 70.45 C ATOM 981 CG1 ILE A 69 -1.109 -7.444 8.596 1.00 25.13 C ATOM 982 CG2 ILE A 69 -2.525 -8.931 7.057 1.00 34.42 C ATOM 983 CD1 ILE A 69 0.174 -7.854 7.885 1.00 53.14 C ATOM 0 H ILE A 69 -3.342 -8.217 11.130 1.00 74.52 H new ATOM 0 HA ILE A 69 -3.854 -7.026 8.453 1.00 34.51 H new ATOM 0 HB ILE A 69 -2.003 -9.342 9.065 1.00 70.45 H new ATOM 0 HG12 ILE A 69 -1.440 -6.489 8.188 1.00 25.13 H new ATOM 0 HG13 ILE A 69 -0.883 -7.280 9.650 1.00 25.13 H new ATOM 0 HG21 ILE A 69 -1.606 -9.357 6.653 1.00 34.42 H new ATOM 0 HG22 ILE A 69 -3.308 -9.689 7.053 1.00 34.42 H new ATOM 0 HG23 ILE A 69 -2.834 -8.086 6.441 1.00 34.42 H new ATOM 0 HD11 ILE A 69 0.928 -7.078 8.018 1.00 53.14 H new ATOM 0 HD12 ILE A 69 0.540 -8.791 8.306 1.00 53.14 H new ATOM 0 HD13 ILE A 69 -0.026 -7.988 6.822 1.00 53.14 H new ATOM 994 N THR A 70 -5.735 -8.768 8.466 1.00 5.34 N ATOM 995 CA THR A 70 -6.908 -9.609 8.642 1.00 13.23 C ATOM 996 C THR A 70 -7.420 -9.978 7.253 1.00 14.02 C ATOM 997 O THR A 70 -7.926 -9.104 6.547 1.00 5.22 O ATOM 998 CB THR A 70 -7.987 -8.860 9.458 1.00 11.24 C ATOM 999 OG1 THR A 70 -7.461 -8.139 10.556 1.00 45.21 O ATOM 1000 CG2 THR A 70 -9.089 -9.791 9.958 1.00 11.31 C ATOM 0 H THR A 70 -5.801 -8.114 7.686 1.00 5.34 H new ATOM 0 HA THR A 70 -6.658 -10.513 9.197 1.00 13.23 H new ATOM 0 HB THR A 70 -8.412 -8.145 8.754 1.00 11.24 H new ATOM 0 HG1 THR A 70 -8.190 -7.687 11.030 1.00 45.21 H new ATOM 0 HG21 THR A 70 -9.821 -9.216 10.525 1.00 11.31 H new ATOM 0 HG22 THR A 70 -9.579 -10.265 9.107 1.00 11.31 H new ATOM 0 HG23 THR A 70 -8.654 -10.558 10.599 1.00 11.31 H new ATOM 1008 N PRO A 71 -7.245 -11.228 6.804 1.00 23.20 N ATOM 1009 CA PRO A 71 -7.702 -11.677 5.501 1.00 51.35 C ATOM 1010 C PRO A 71 -9.218 -11.622 5.485 1.00 45.41 C ATOM 1011 O PRO A 71 -9.891 -12.303 6.260 1.00 30.10 O ATOM 1012 CB PRO A 71 -7.112 -13.075 5.303 1.00 4.13 C ATOM 1013 CG PRO A 71 -6.934 -13.573 6.735 1.00 34.21 C ATOM 1014 CD PRO A 71 -6.652 -12.323 7.544 1.00 64.53 C ATOM 0 HA PRO A 71 -7.374 -11.053 4.669 1.00 51.35 H new ATOM 0 HB2 PRO A 71 -7.780 -13.719 4.731 1.00 4.13 H new ATOM 0 HB3 PRO A 71 -6.164 -13.042 4.766 1.00 4.13 H new ATOM 0 HG2 PRO A 71 -7.830 -14.082 7.092 1.00 34.21 H new ATOM 0 HG3 PRO A 71 -6.112 -14.285 6.807 1.00 34.21 H new ATOM 0 HD2 PRO A 71 -7.083 -12.398 8.542 1.00 64.53 H new ATOM 0 HD3 PRO A 71 -5.580 -12.173 7.670 1.00 64.53 H new ATOM 1019 N VAL A 72 -9.750 -10.752 4.637 1.00 25.32 N ATOM 1020 CA VAL A 72 -11.158 -10.704 4.327 1.00 22.03 C ATOM 1021 C VAL A 72 -11.363 -11.883 3.381 1.00 23.30 C ATOM 1022 O VAL A 72 -10.927 -11.873 2.222 1.00 5.52 O ATOM 1023 CB VAL A 72 -11.537 -9.315 3.780 1.00 41.14 C ATOM 1024 CG1 VAL A 72 -13.037 -9.222 3.479 1.00 24.10 C ATOM 1025 CG2 VAL A 72 -11.201 -8.244 4.832 1.00 42.22 C ATOM 0 H VAL A 72 -9.199 -10.051 4.141 1.00 25.32 H new ATOM 0 HA VAL A 72 -11.827 -10.811 5.181 1.00 22.03 H new ATOM 0 HB VAL A 72 -10.975 -9.157 2.859 1.00 41.14 H new ATOM 0 HG11 VAL A 72 -13.270 -8.229 3.095 1.00 24.10 H new ATOM 0 HG12 VAL A 72 -13.306 -9.971 2.735 1.00 24.10 H new ATOM 0 HG13 VAL A 72 -13.603 -9.399 4.393 1.00 24.10 H new ATOM 0 HG21 VAL A 72 -11.468 -7.260 4.447 1.00 42.22 H new ATOM 0 HG22 VAL A 72 -11.763 -8.442 5.745 1.00 42.22 H new ATOM 0 HG23 VAL A 72 -10.133 -8.271 5.050 1.00 42.22 H new ATOM 1035 N GLY A 73 -11.914 -12.957 3.938 1.00 32.21 N ATOM 1036 CA GLY A 73 -12.131 -14.201 3.243 1.00 12.23 C ATOM 1037 C GLY A 73 -10.817 -14.909 2.993 1.00 72.01 C ATOM 1038 O GLY A 73 -10.184 -15.442 3.906 1.00 51.22 O ATOM 0 H GLY A 73 -12.226 -12.977 4.909 1.00 32.21 H new ATOM 0 HA2 GLY A 73 -12.789 -14.842 3.830 1.00 12.23 H new ATOM 0 HA3 GLY A 73 -12.634 -14.011 2.295 1.00 12.23 H new ATOM 1042 N ASN A 74 -10.455 -14.941 1.720 1.00 4.52 N ATOM 1043 CA ASN A 74 -9.270 -15.561 1.150 1.00 1.53 C ATOM 1044 C ASN A 74 -8.911 -14.812 -0.135 1.00 5.13 C ATOM 1045 O ASN A 74 -8.355 -15.391 -1.072 1.00 3.30 O ATOM 1046 CB ASN A 74 -9.493 -17.071 0.933 1.00 3.24 C ATOM 1047 CG ASN A 74 -10.778 -17.482 0.215 1.00 61.14 C ATOM 1048 OD1 ASN A 74 -11.561 -16.673 -0.288 1.00 3.20 O ATOM 1049 ND2 ASN A 74 -11.086 -18.765 0.248 1.00 75.03 N ATOM 0 H ASN A 74 -11.029 -14.499 1.002 1.00 4.52 H new ATOM 0 HA ASN A 74 -8.426 -15.487 1.835 1.00 1.53 H new ATOM 0 HB2 ASN A 74 -8.648 -17.461 0.366 1.00 3.24 H new ATOM 0 HB3 ASN A 74 -9.477 -17.560 1.907 1.00 3.24 H new ATOM 0 HD21 ASN A 74 -11.972 -19.087 -0.143 1.00 75.03 H new ATOM 0 HD22 ASN A 74 -10.438 -19.434 0.664 1.00 75.03 H new ATOM 1055 N TYR A 75 -9.260 -13.518 -0.209 1.00 54.15 N ATOM 1056 CA TYR A 75 -8.992 -12.727 -1.413 1.00 2.43 C ATOM 1057 C TYR A 75 -8.491 -11.301 -1.186 1.00 52.12 C ATOM 1058 O TYR A 75 -8.027 -10.676 -2.146 1.00 74.25 O ATOM 1059 CB TYR A 75 -10.234 -12.729 -2.321 1.00 11.52 C ATOM 1060 CG TYR A 75 -11.410 -11.995 -1.705 1.00 51.52 C ATOM 1061 CD1 TYR A 75 -12.238 -12.661 -0.786 1.00 63.32 C ATOM 1062 CD2 TYR A 75 -11.624 -10.628 -1.976 1.00 64.12 C ATOM 1063 CE1 TYR A 75 -13.230 -11.955 -0.088 1.00 30.02 C ATOM 1064 CE2 TYR A 75 -12.642 -9.925 -1.309 1.00 21.34 C ATOM 1065 CZ TYR A 75 -13.439 -10.583 -0.343 1.00 52.14 C ATOM 1066 OH TYR A 75 -14.399 -9.892 0.334 1.00 22.14 O ATOM 0 H TYR A 75 -9.722 -13.005 0.542 1.00 54.15 H new ATOM 0 HA TYR A 75 -8.151 -13.225 -1.896 1.00 2.43 H new ATOM 0 HB2 TYR A 75 -9.982 -12.267 -3.276 1.00 11.52 H new ATOM 0 HB3 TYR A 75 -10.523 -13.759 -2.532 1.00 11.52 H new ATOM 0 HD1 TYR A 75 -12.111 -13.720 -0.616 1.00 63.32 H new ATOM 0 HD2 TYR A 75 -11.003 -10.119 -2.699 1.00 64.12 H new ATOM 0 HE1 TYR A 75 -13.836 -12.464 0.647 1.00 30.02 H new ATOM 0 HE2 TYR A 75 -12.816 -8.883 -1.534 1.00 21.34 H new ATOM 0 HH TYR A 75 -14.404 -8.959 0.033 1.00 22.14 H new ATOM 1075 N ALA A 76 -8.560 -10.776 0.033 1.00 4.50 N ATOM 1076 CA ALA A 76 -8.142 -9.421 0.351 1.00 62.42 C ATOM 1077 C ALA A 76 -7.671 -9.375 1.799 1.00 65.34 C ATOM 1078 O ALA A 76 -7.880 -10.343 2.531 1.00 33.11 O ATOM 1079 CB ALA A 76 -9.358 -8.517 0.165 1.00 71.43 C ATOM 0 H ALA A 76 -8.914 -11.291 0.839 1.00 4.50 H new ATOM 0 HA ALA A 76 -7.325 -9.094 -0.292 1.00 62.42 H new ATOM 0 HB1 ALA A 76 -9.084 -7.487 0.395 1.00 71.43 H new ATOM 0 HB2 ALA A 76 -9.703 -8.579 -0.867 1.00 71.43 H new ATOM 0 HB3 ALA A 76 -10.156 -8.838 0.834 1.00 71.43 H new ATOM 1085 N VAL A 77 -7.099 -8.257 2.248 1.00 30.31 N ATOM 1086 CA VAL A 77 -6.767 -8.079 3.649 1.00 43.42 C ATOM 1087 C VAL A 77 -7.169 -6.681 4.022 1.00 14.24 C ATOM 1088 O VAL A 77 -7.049 -5.736 3.244 1.00 52.42 O ATOM 1089 CB VAL A 77 -5.274 -8.310 3.926 1.00 70.35 C ATOM 1090 CG1 VAL A 77 -4.273 -7.204 3.572 1.00 54.24 C ATOM 1091 CG2 VAL A 77 -4.968 -9.169 5.116 1.00 74.33 C ATOM 0 H VAL A 77 -6.858 -7.463 1.654 1.00 30.31 H new ATOM 0 HA VAL A 77 -7.300 -8.816 4.250 1.00 43.42 H new ATOM 0 HB VAL A 77 -5.023 -8.963 3.090 1.00 70.35 H new ATOM 0 HG11 VAL A 77 -3.265 -7.529 3.831 1.00 54.24 H new ATOM 0 HG12 VAL A 77 -4.324 -6.996 2.503 1.00 54.24 H new ATOM 0 HG13 VAL A 77 -4.518 -6.300 4.130 1.00 54.24 H new ATOM 0 HG21 VAL A 77 -3.888 -9.270 5.224 1.00 74.33 H new ATOM 0 HG22 VAL A 77 -5.381 -8.708 6.013 1.00 74.33 H new ATOM 0 HG23 VAL A 77 -5.412 -10.155 4.977 1.00 74.33 H new ATOM 1101 N LYS A 78 -7.668 -6.599 5.235 1.00 45.43 N ATOM 1102 CA LYS A 78 -7.660 -5.392 6.023 1.00 45.51 C ATOM 1103 C LYS A 78 -6.224 -5.226 6.504 1.00 33.14 C ATOM 1104 O LYS A 78 -5.577 -6.209 6.878 1.00 12.40 O ATOM 1105 CB LYS A 78 -8.612 -5.563 7.202 1.00 70.04 C ATOM 1106 CG LYS A 78 -10.062 -5.212 6.849 1.00 73.21 C ATOM 1107 CD LYS A 78 -11.011 -5.519 8.018 1.00 73.14 C ATOM 1108 CE LYS A 78 -12.350 -6.096 7.540 1.00 65.04 C ATOM 1109 NZ LYS A 78 -13.322 -5.088 7.080 1.00 41.13 N ATOM 0 H LYS A 78 -8.101 -7.391 5.710 1.00 45.43 H new ATOM 0 HA LYS A 78 -7.985 -4.518 5.459 1.00 45.51 H new ATOM 0 HB2 LYS A 78 -8.567 -6.594 7.553 1.00 70.04 H new ATOM 0 HB3 LYS A 78 -8.280 -4.931 8.026 1.00 70.04 H new ATOM 0 HG2 LYS A 78 -10.130 -4.155 6.590 1.00 73.21 H new ATOM 0 HG3 LYS A 78 -10.371 -5.776 5.969 1.00 73.21 H new ATOM 0 HD2 LYS A 78 -10.533 -6.227 8.696 1.00 73.14 H new ATOM 0 HD3 LYS A 78 -11.192 -4.607 8.586 1.00 73.14 H new ATOM 0 HE2 LYS A 78 -12.160 -6.796 6.727 1.00 65.04 H new ATOM 0 HE3 LYS A 78 -12.796 -6.667 8.354 1.00 65.04 H new ATOM 0 HZ1 LYS A 78 -14.196 -5.562 6.776 1.00 41.13 H new ATOM 0 HZ2 LYS A 78 -13.537 -4.432 7.858 1.00 41.13 H new ATOM 0 HZ3 LYS A 78 -12.920 -4.557 6.281 1.00 41.13 H new ATOM 1119 N LEU A 79 -5.725 -4.000 6.460 1.00 3.43 N ATOM 1120 CA LEU A 79 -4.324 -3.666 6.623 1.00 24.31 C ATOM 1121 C LEU A 79 -4.308 -2.375 7.442 1.00 23.32 C ATOM 1122 O LEU A 79 -4.355 -1.282 6.887 1.00 1.00 O ATOM 1123 CB LEU A 79 -3.723 -3.545 5.204 1.00 11.33 C ATOM 1124 CG LEU A 79 -2.206 -3.728 5.101 1.00 62.55 C ATOM 1125 CD1 LEU A 79 -1.730 -5.141 5.463 1.00 10.31 C ATOM 1126 CD2 LEU A 79 -1.742 -3.420 3.673 1.00 22.12 C ATOM 0 H LEU A 79 -6.311 -3.180 6.303 1.00 3.43 H new ATOM 0 HA LEU A 79 -3.719 -4.404 7.150 1.00 24.31 H new ATOM 0 HB2 LEU A 79 -4.203 -4.285 4.563 1.00 11.33 H new ATOM 0 HB3 LEU A 79 -3.979 -2.564 4.805 1.00 11.33 H new ATOM 0 HG LEU A 79 -1.772 -3.037 5.824 1.00 62.55 H new ATOM 0 HD11 LEU A 79 -0.646 -5.195 5.367 1.00 10.31 H new ATOM 0 HD12 LEU A 79 -2.015 -5.369 6.490 1.00 10.31 H new ATOM 0 HD13 LEU A 79 -2.190 -5.864 4.789 1.00 10.31 H new ATOM 0 HD21 LEU A 79 -0.662 -3.552 3.605 1.00 22.12 H new ATOM 0 HD22 LEU A 79 -2.235 -4.098 2.976 1.00 22.12 H new ATOM 0 HD23 LEU A 79 -1.999 -2.391 3.421 1.00 22.12 H new ATOM 1137 N VAL A 80 -4.407 -2.514 8.764 1.00 34.22 N ATOM 1138 CA VAL A 80 -4.893 -1.445 9.637 1.00 21.10 C ATOM 1139 C VAL A 80 -3.772 -0.463 10.000 1.00 61.54 C ATOM 1140 O VAL A 80 -2.628 -0.891 10.120 1.00 2.20 O ATOM 1141 CB VAL A 80 -5.597 -2.054 10.865 1.00 34.40 C ATOM 1142 CG1 VAL A 80 -6.694 -3.064 10.491 1.00 52.43 C ATOM 1143 CG2 VAL A 80 -4.697 -2.786 11.849 1.00 2.20 C ATOM 0 H VAL A 80 -4.153 -3.369 9.259 1.00 34.22 H new ATOM 0 HA VAL A 80 -5.634 -0.851 9.103 1.00 21.10 H new ATOM 0 HB VAL A 80 -6.000 -1.159 11.339 1.00 34.40 H new ATOM 0 HG11 VAL A 80 -7.152 -3.457 11.399 1.00 52.43 H new ATOM 0 HG12 VAL A 80 -7.454 -2.569 9.887 1.00 52.43 H new ATOM 0 HG13 VAL A 80 -6.255 -3.884 9.922 1.00 52.43 H new ATOM 0 HG21 VAL A 80 -5.297 -3.173 12.672 1.00 2.20 H new ATOM 0 HG22 VAL A 80 -4.200 -3.613 11.342 1.00 2.20 H new ATOM 0 HG23 VAL A 80 -3.948 -2.097 12.239 1.00 2.20 H new ATOM 1153 N PHE A 81 -4.076 0.818 10.239 1.00 3.00 N ATOM 1154 CA PHE A 81 -3.079 1.830 10.590 1.00 23.24 C ATOM 1155 C PHE A 81 -3.454 2.522 11.901 1.00 72.53 C ATOM 1156 O PHE A 81 -4.623 2.589 12.267 1.00 33.23 O ATOM 1157 CB PHE A 81 -2.957 2.859 9.466 1.00 61.24 C ATOM 1158 CG PHE A 81 -2.539 2.296 8.123 1.00 5.24 C ATOM 1159 CD1 PHE A 81 -1.196 1.953 7.875 1.00 51.12 C ATOM 1160 CD2 PHE A 81 -3.508 2.080 7.128 1.00 30.13 C ATOM 1161 CE1 PHE A 81 -0.833 1.378 6.643 1.00 11.42 C ATOM 1162 CE2 PHE A 81 -3.145 1.516 5.896 1.00 45.13 C ATOM 1163 CZ PHE A 81 -1.811 1.151 5.659 1.00 50.01 C ATOM 0 H PHE A 81 -5.028 1.182 10.193 1.00 3.00 H new ATOM 0 HA PHE A 81 -2.116 1.337 10.724 1.00 23.24 H new ATOM 0 HB2 PHE A 81 -3.917 3.362 9.349 1.00 61.24 H new ATOM 0 HB3 PHE A 81 -2.234 3.618 9.766 1.00 61.24 H new ATOM 0 HD1 PHE A 81 -0.445 2.131 8.630 1.00 51.12 H new ATOM 0 HD2 PHE A 81 -4.537 2.350 7.313 1.00 30.13 H new ATOM 0 HE1 PHE A 81 0.196 1.111 6.454 1.00 11.42 H new ATOM 0 HE2 PHE A 81 -3.891 1.363 5.131 1.00 45.13 H new ATOM 0 HZ PHE A 81 -1.535 0.695 4.720 1.00 50.01 H new ATOM 1172 N ASP A 82 -2.448 3.019 12.621 1.00 73.25 N ATOM 1173 CA ASP A 82 -2.522 3.579 13.972 1.00 3.22 C ATOM 1174 C ASP A 82 -2.967 5.035 13.977 1.00 62.51 C ATOM 1175 O ASP A 82 -3.577 5.492 14.940 1.00 54.32 O ATOM 1176 CB ASP A 82 -1.135 3.502 14.633 1.00 24.20 C ATOM 1177 CG ASP A 82 -0.046 4.349 13.957 1.00 32.34 C ATOM 1178 OD1 ASP A 82 -0.051 4.500 12.713 1.00 63.11 O ATOM 1179 OD2 ASP A 82 0.859 4.779 14.701 1.00 65.13 O ATOM 0 H ASP A 82 -1.497 3.043 12.252 1.00 73.25 H new ATOM 0 HA ASP A 82 -3.260 2.993 14.520 1.00 3.22 H new ATOM 0 HB2 ASP A 82 -1.226 3.817 15.672 1.00 24.20 H new ATOM 0 HB3 ASP A 82 -0.811 2.461 14.643 1.00 24.20 H new ATOM 1183 N ASP A 83 -2.658 5.746 12.902 1.00 41.02 N ATOM 1184 CA ASP A 83 -3.053 7.119 12.619 1.00 12.10 C ATOM 1185 C ASP A 83 -3.892 7.128 11.351 1.00 70.21 C ATOM 1186 O ASP A 83 -4.946 7.764 11.303 1.00 71.12 O ATOM 1187 CB ASP A 83 -1.799 7.980 12.442 1.00 10.22 C ATOM 1188 CG ASP A 83 -2.073 9.218 11.588 1.00 33.52 C ATOM 1189 OD1 ASP A 83 -2.001 9.124 10.344 1.00 42.22 O ATOM 1190 OD2 ASP A 83 -2.280 10.316 12.148 1.00 10.33 O ATOM 0 H ASP A 83 -2.086 5.353 12.154 1.00 41.02 H new ATOM 0 HA ASP A 83 -3.640 7.527 13.442 1.00 12.10 H new ATOM 0 HB2 ASP A 83 -1.429 8.288 13.420 1.00 10.22 H new ATOM 0 HB3 ASP A 83 -1.013 7.385 11.977 1.00 10.22 H new ATOM 1194 N GLY A 84 -3.453 6.368 10.345 1.00 70.22 N ATOM 1195 CA GLY A 84 -4.081 6.270 9.040 1.00 14.03 C ATOM 1196 C GLY A 84 -5.420 5.535 9.045 1.00 41.03 C ATOM 1197 O GLY A 84 -5.918 5.272 7.959 1.00 51.11 O ATOM 0 H GLY A 84 -2.620 5.786 10.427 1.00 70.22 H new ATOM 0 HA2 GLY A 84 -4.232 7.275 8.645 1.00 14.03 H new ATOM 0 HA3 GLY A 84 -3.401 5.759 8.359 1.00 14.03 H new ATOM 1201 N HIS A 85 -5.985 5.225 10.217 1.00 52.22 N ATOM 1202 CA HIS A 85 -7.248 4.563 10.497 1.00 63.34 C ATOM 1203 C HIS A 85 -7.279 3.118 9.969 1.00 64.35 C ATOM 1204 O HIS A 85 -6.797 2.820 8.873 1.00 70.03 O ATOM 1205 CB HIS A 85 -8.368 5.462 9.958 1.00 23.42 C ATOM 1206 CG HIS A 85 -9.710 5.324 10.633 1.00 33.10 C ATOM 1207 ND1 HIS A 85 -10.487 4.203 10.733 1.00 25.32 N flip ATOM 1208 CD2 HIS A 85 -10.379 6.342 11.273 1.00 65.13 C flip ATOM 1209 CE1 HIS A 85 -11.622 4.531 11.478 1.00 1.11 C flip ATOM 1210 NE2 HIS A 85 -11.520 5.840 11.771 1.00 74.24 N flip ATOM 0 H HIS A 85 -5.507 5.463 11.086 1.00 52.22 H new ATOM 0 HA HIS A 85 -7.392 4.439 11.570 1.00 63.34 H new ATOM 0 HB2 HIS A 85 -8.046 6.500 10.043 1.00 23.42 H new ATOM 0 HB3 HIS A 85 -8.495 5.253 8.896 1.00 23.42 H new ATOM 0 HD2 HIS A 85 -10.045 7.365 11.359 1.00 65.13 H new ATOM 0 HE1 HIS A 85 -12.423 3.865 11.763 1.00 1.11 H new ATOM 0 HE2 HIS A 85 -12.211 6.375 12.297 1.00 74.24 H new ATOM 1217 N ASP A 86 -7.862 2.199 10.742 1.00 30.12 N ATOM 1218 CA ASP A 86 -7.913 0.768 10.425 1.00 54.11 C ATOM 1219 C ASP A 86 -8.683 0.430 9.144 1.00 5.34 C ATOM 1220 O ASP A 86 -8.502 -0.656 8.598 1.00 21.33 O ATOM 1221 CB ASP A 86 -8.492 -0.053 11.588 1.00 62.23 C ATOM 1222 CG ASP A 86 -10.005 0.103 11.728 1.00 12.34 C ATOM 1223 OD1 ASP A 86 -10.448 1.149 12.259 1.00 43.45 O ATOM 1224 OD2 ASP A 86 -10.743 -0.824 11.324 1.00 62.44 O ATOM 0 H ASP A 86 -8.321 2.432 11.623 1.00 30.12 H new ATOM 0 HA ASP A 86 -6.871 0.495 10.256 1.00 54.11 H new ATOM 0 HB2 ASP A 86 -8.252 -1.106 11.438 1.00 62.23 H new ATOM 0 HB3 ASP A 86 -8.012 0.254 12.517 1.00 62.23 H new ATOM 1228 N THR A 87 -9.511 1.340 8.636 1.00 42.54 N ATOM 1229 CA THR A 87 -10.260 1.132 7.413 1.00 30.14 C ATOM 1230 C THR A 87 -9.286 1.159 6.236 1.00 73.32 C ATOM 1231 O THR A 87 -8.941 2.242 5.751 1.00 52.45 O ATOM 1232 CB THR A 87 -11.337 2.219 7.274 1.00 64.42 C ATOM 1233 OG1 THR A 87 -10.764 3.512 7.364 1.00 70.14 O ATOM 1234 CG2 THR A 87 -12.413 2.109 8.355 1.00 73.13 C ATOM 0 H THR A 87 -9.678 2.248 9.070 1.00 42.54 H new ATOM 0 HA THR A 87 -10.764 0.166 7.432 1.00 30.14 H new ATOM 0 HB THR A 87 -11.793 2.068 6.296 1.00 64.42 H new ATOM 0 HG1 THR A 87 -9.968 3.558 6.794 1.00 70.14 H new ATOM 0 HG21 THR A 87 -13.152 2.898 8.215 1.00 73.13 H new ATOM 0 HG22 THR A 87 -12.902 1.138 8.284 1.00 73.13 H new ATOM 0 HG23 THR A 87 -11.953 2.213 9.338 1.00 73.13 H new ATOM 1242 N GLY A 88 -8.797 0.006 5.795 1.00 21.01 N ATOM 1243 CA GLY A 88 -7.805 -0.057 4.743 1.00 53.43 C ATOM 1244 C GLY A 88 -7.824 -1.442 4.134 1.00 64.35 C ATOM 1245 O GLY A 88 -7.169 -2.343 4.651 1.00 30.31 O ATOM 0 H GLY A 88 -9.079 -0.904 6.158 1.00 21.01 H new ATOM 0 HA2 GLY A 88 -8.016 0.693 3.981 1.00 53.43 H new ATOM 0 HA3 GLY A 88 -6.816 0.165 5.144 1.00 53.43 H new ATOM 1249 N LEU A 89 -8.619 -1.633 3.079 1.00 13.20 N ATOM 1250 CA LEU A 89 -8.641 -2.887 2.340 1.00 64.21 C ATOM 1251 C LEU A 89 -7.594 -2.821 1.246 1.00 10.51 C ATOM 1252 O LEU A 89 -7.452 -1.794 0.574 1.00 43.44 O ATOM 1253 CB LEU A 89 -10.011 -3.140 1.688 1.00 43.14 C ATOM 1254 CG LEU A 89 -10.906 -4.135 2.428 1.00 54.23 C ATOM 1255 CD1 LEU A 89 -10.302 -5.533 2.439 1.00 50.22 C ATOM 1256 CD2 LEU A 89 -11.249 -3.675 3.850 1.00 10.20 C ATOM 0 H LEU A 89 -9.259 -0.926 2.719 1.00 13.20 H new ATOM 0 HA LEU A 89 -8.439 -3.698 3.039 1.00 64.21 H new ATOM 0 HB2 LEU A 89 -10.539 -2.190 1.607 1.00 43.14 H new ATOM 0 HB3 LEU A 89 -9.852 -3.503 0.673 1.00 43.14 H new ATOM 0 HG LEU A 89 -11.842 -4.175 1.871 1.00 54.23 H new ATOM 0 HD11 LEU A 89 -10.966 -6.212 2.974 1.00 50.22 H new ATOM 0 HD12 LEU A 89 -10.174 -5.882 1.414 1.00 50.22 H new ATOM 0 HD13 LEU A 89 -9.333 -5.507 2.937 1.00 50.22 H new ATOM 0 HD21 LEU A 89 -11.886 -4.418 4.329 1.00 10.20 H new ATOM 0 HD22 LEU A 89 -10.331 -3.558 4.426 1.00 10.20 H new ATOM 0 HD23 LEU A 89 -11.774 -2.721 3.807 1.00 10.20 H new ATOM 1267 N TYR A 90 -6.933 -3.947 1.011 1.00 4.32 N ATOM 1268 CA TYR A 90 -6.099 -4.171 -0.148 1.00 63.04 C ATOM 1269 C TYR A 90 -6.377 -5.570 -0.669 1.00 11.24 C ATOM 1270 O TYR A 90 -6.831 -6.436 0.087 1.00 52.35 O ATOM 1271 CB TYR A 90 -4.615 -3.957 0.185 1.00 50.53 C ATOM 1272 CG TYR A 90 -4.327 -2.569 0.725 1.00 50.22 C ATOM 1273 CD1 TYR A 90 -4.610 -2.249 2.066 1.00 31.30 C ATOM 1274 CD2 TYR A 90 -3.856 -1.574 -0.145 1.00 5.40 C ATOM 1275 CE1 TYR A 90 -4.457 -0.932 2.531 1.00 33.34 C ATOM 1276 CE2 TYR A 90 -3.668 -0.260 0.314 1.00 30.24 C ATOM 1277 CZ TYR A 90 -3.987 0.066 1.653 1.00 11.44 C ATOM 1278 OH TYR A 90 -3.859 1.343 2.096 1.00 54.42 O ATOM 0 H TYR A 90 -6.967 -4.747 1.642 1.00 4.32 H new ATOM 0 HA TYR A 90 -6.337 -3.447 -0.928 1.00 63.04 H new ATOM 0 HB2 TYR A 90 -4.301 -4.699 0.919 1.00 50.53 H new ATOM 0 HB3 TYR A 90 -4.019 -4.124 -0.712 1.00 50.53 H new ATOM 0 HD1 TYR A 90 -4.947 -3.021 2.742 1.00 31.30 H new ATOM 0 HD2 TYR A 90 -3.637 -1.820 -1.174 1.00 5.40 H new ATOM 0 HE1 TYR A 90 -4.698 -0.686 3.555 1.00 33.34 H new ATOM 0 HE2 TYR A 90 -3.282 0.498 -0.352 1.00 30.24 H new ATOM 0 HH TYR A 90 -3.443 1.891 1.398 1.00 54.42 H new ATOM 1287 N SER A 91 -6.073 -5.816 -1.936 1.00 70.25 N ATOM 1288 CA SER A 91 -6.307 -7.089 -2.603 1.00 72.12 C ATOM 1289 C SER A 91 -4.977 -7.689 -3.055 1.00 53.41 C ATOM 1290 O SER A 91 -4.041 -6.957 -3.379 1.00 11.21 O ATOM 1291 CB SER A 91 -7.280 -6.849 -3.758 1.00 13.53 C ATOM 1292 OG SER A 91 -8.511 -6.380 -3.239 1.00 33.44 O ATOM 0 H SER A 91 -5.646 -5.117 -2.544 1.00 70.25 H new ATOM 0 HA SER A 91 -6.757 -7.816 -1.927 1.00 72.12 H new ATOM 0 HB2 SER A 91 -6.864 -6.121 -4.454 1.00 13.53 H new ATOM 0 HB3 SER A 91 -7.435 -7.772 -4.317 1.00 13.53 H new ATOM 0 HG SER A 91 -9.138 -6.223 -3.976 1.00 33.44 H new ATOM 1297 N TRP A 92 -4.897 -9.022 -3.126 1.00 72.05 N ATOM 1298 CA TRP A 92 -3.659 -9.728 -3.440 1.00 50.34 C ATOM 1299 C TRP A 92 -3.083 -9.250 -4.782 1.00 25.42 C ATOM 1300 O TRP A 92 -1.883 -8.996 -4.884 1.00 5.50 O ATOM 1301 CB TRP A 92 -3.895 -11.246 -3.442 1.00 21.10 C ATOM 1302 CG TRP A 92 -4.598 -11.864 -2.262 1.00 12.51 C ATOM 1303 CD1 TRP A 92 -5.453 -12.909 -2.332 1.00 51.12 C ATOM 1304 CD2 TRP A 92 -4.475 -11.558 -0.837 1.00 13.13 C ATOM 1305 NE1 TRP A 92 -5.876 -13.248 -1.063 1.00 22.24 N ATOM 1306 CE2 TRP A 92 -5.384 -12.382 -0.118 1.00 30.14 C ATOM 1307 CE3 TRP A 92 -3.701 -10.663 -0.074 1.00 30.00 C ATOM 1308 CZ2 TRP A 92 -5.598 -12.250 1.260 1.00 1.14 C ATOM 1309 CZ3 TRP A 92 -3.822 -10.604 1.327 1.00 42.22 C ATOM 1310 CH2 TRP A 92 -4.784 -11.380 1.998 1.00 72.35 C ATOM 0 H TRP A 92 -5.693 -9.639 -2.966 1.00 72.05 H new ATOM 0 HA TRP A 92 -2.924 -9.502 -2.667 1.00 50.34 H new ATOM 0 HB2 TRP A 92 -4.469 -11.491 -4.336 1.00 21.10 H new ATOM 0 HB3 TRP A 92 -2.925 -11.733 -3.542 1.00 21.10 H new ATOM 0 HD1 TRP A 92 -5.758 -13.403 -3.242 1.00 51.12 H new ATOM 0 HE1 TRP A 92 -6.479 -14.043 -0.853 1.00 22.24 H new ATOM 0 HE3 TRP A 92 -3.001 -10.009 -0.573 1.00 30.00 H new ATOM 0 HZ2 TRP A 92 -6.381 -12.812 1.748 1.00 1.14 H new ATOM 0 HZ3 TRP A 92 -3.169 -9.956 1.893 1.00 42.22 H new ATOM 0 HH2 TRP A 92 -4.894 -11.306 3.070 1.00 72.35 H new ATOM 1320 N LYS A 93 -3.944 -9.076 -5.793 1.00 51.45 N ATOM 1321 CA LYS A 93 -3.547 -8.600 -7.116 1.00 42.24 C ATOM 1322 C LYS A 93 -2.988 -7.180 -7.056 1.00 4.13 C ATOM 1323 O LYS A 93 -2.003 -6.868 -7.725 1.00 51.12 O ATOM 1324 CB LYS A 93 -4.739 -8.717 -8.068 1.00 62.04 C ATOM 1325 CG LYS A 93 -4.296 -8.508 -9.523 1.00 42.11 C ATOM 1326 CD LYS A 93 -5.270 -9.107 -10.533 1.00 13.52 C ATOM 1327 CE LYS A 93 -4.952 -8.557 -11.932 1.00 63.41 C ATOM 1328 NZ LYS A 93 -5.793 -9.164 -12.982 1.00 1.14 N ATOM 0 H LYS A 93 -4.943 -9.264 -5.711 1.00 51.45 H new ATOM 0 HA LYS A 93 -2.738 -9.223 -7.497 1.00 42.24 H new ATOM 0 HB2 LYS A 93 -5.201 -9.698 -7.961 1.00 62.04 H new ATOM 0 HB3 LYS A 93 -5.496 -7.978 -7.804 1.00 62.04 H new ATOM 0 HG2 LYS A 93 -4.192 -7.440 -9.716 1.00 42.11 H new ATOM 0 HG3 LYS A 93 -3.312 -8.955 -9.666 1.00 42.11 H new ATOM 0 HD2 LYS A 93 -5.192 -10.194 -10.531 1.00 13.52 H new ATOM 0 HD3 LYS A 93 -6.295 -8.861 -10.257 1.00 13.52 H new ATOM 0 HE2 LYS A 93 -5.095 -7.476 -11.935 1.00 63.41 H new ATOM 0 HE3 LYS A 93 -3.902 -8.740 -12.161 1.00 63.41 H new ATOM 0 HZ1 LYS A 93 -5.540 -8.760 -13.906 1.00 1.14 H new ATOM 0 HZ2 LYS A 93 -5.638 -10.192 -13.000 1.00 1.14 H new ATOM 0 HZ3 LYS A 93 -6.794 -8.968 -12.781 1.00 1.14 H new ATOM 1338 N VAL A 94 -3.612 -6.311 -6.260 1.00 41.24 N ATOM 1339 CA VAL A 94 -3.145 -4.934 -6.085 1.00 61.32 C ATOM 1340 C VAL A 94 -1.741 -4.940 -5.464 1.00 50.45 C ATOM 1341 O VAL A 94 -0.847 -4.268 -5.984 1.00 14.14 O ATOM 1342 CB VAL A 94 -4.156 -4.108 -5.267 1.00 70.02 C ATOM 1343 CG1 VAL A 94 -3.623 -2.712 -4.889 1.00 30.00 C ATOM 1344 CG2 VAL A 94 -5.515 -3.945 -5.965 1.00 10.14 C ATOM 0 H VAL A 94 -4.448 -6.538 -5.722 1.00 41.24 H new ATOM 0 HA VAL A 94 -3.073 -4.448 -7.058 1.00 61.32 H new ATOM 0 HB VAL A 94 -4.300 -4.692 -4.358 1.00 70.02 H new ATOM 0 HG11 VAL A 94 -4.379 -2.177 -4.314 1.00 30.00 H new ATOM 0 HG12 VAL A 94 -2.719 -2.818 -4.290 1.00 30.00 H new ATOM 0 HG13 VAL A 94 -3.394 -2.152 -5.796 1.00 30.00 H new ATOM 0 HG21 VAL A 94 -6.179 -3.353 -5.335 1.00 10.14 H new ATOM 0 HG22 VAL A 94 -5.375 -3.439 -6.920 1.00 10.14 H new ATOM 0 HG23 VAL A 94 -5.956 -4.927 -6.136 1.00 10.14 H new ATOM 1354 N LEU A 95 -1.520 -5.705 -4.387 1.00 65.41 N ATOM 1355 CA LEU A 95 -0.232 -5.761 -3.695 1.00 4.14 C ATOM 1356 C LEU A 95 0.885 -6.200 -4.654 1.00 10.10 C ATOM 1357 O LEU A 95 1.989 -5.666 -4.560 1.00 71.31 O ATOM 1358 CB LEU A 95 -0.318 -6.706 -2.480 1.00 54.42 C ATOM 1359 CG LEU A 95 -1.192 -6.194 -1.307 1.00 61.21 C ATOM 1360 CD1 LEU A 95 -1.654 -7.396 -0.485 1.00 74.13 C ATOM 1361 CD2 LEU A 95 -0.475 -5.253 -0.330 1.00 5.34 C ATOM 0 H LEU A 95 -2.234 -6.304 -3.972 1.00 65.41 H new ATOM 0 HA LEU A 95 0.011 -4.761 -3.336 1.00 4.14 H new ATOM 0 HB2 LEU A 95 -0.712 -7.666 -2.814 1.00 54.42 H new ATOM 0 HB3 LEU A 95 0.691 -6.887 -2.109 1.00 54.42 H new ATOM 0 HG LEU A 95 -2.003 -5.633 -1.772 1.00 61.21 H new ATOM 0 HD11 LEU A 95 -2.271 -7.053 0.346 1.00 74.13 H new ATOM 0 HD12 LEU A 95 -2.236 -8.067 -1.117 1.00 74.13 H new ATOM 0 HD13 LEU A 95 -0.785 -7.927 -0.096 1.00 74.13 H new ATOM 0 HD21 LEU A 95 -1.167 -4.948 0.455 1.00 5.34 H new ATOM 0 HD22 LEU A 95 0.375 -5.770 0.116 1.00 5.34 H new ATOM 0 HD23 LEU A 95 -0.123 -4.371 -0.866 1.00 5.34 H new ATOM 1372 N TYR A 96 0.617 -7.132 -5.582 1.00 33.22 N ATOM 1373 CA TYR A 96 1.598 -7.572 -6.576 1.00 1.20 C ATOM 1374 C TYR A 96 1.975 -6.413 -7.506 1.00 30.52 C ATOM 1375 O TYR A 96 3.148 -6.160 -7.770 1.00 10.41 O ATOM 1376 CB TYR A 96 1.027 -8.762 -7.380 1.00 70.05 C ATOM 1377 CG TYR A 96 2.014 -9.824 -7.853 1.00 63.41 C ATOM 1378 CD1 TYR A 96 3.379 -9.540 -8.085 1.00 23.21 C ATOM 1379 CD2 TYR A 96 1.548 -11.143 -8.033 1.00 32.53 C ATOM 1380 CE1 TYR A 96 4.262 -10.561 -8.483 1.00 34.44 C ATOM 1381 CE2 TYR A 96 2.419 -12.163 -8.451 1.00 4.42 C ATOM 1382 CZ TYR A 96 3.779 -11.870 -8.679 1.00 63.53 C ATOM 1383 OH TYR A 96 4.616 -12.847 -9.114 1.00 64.33 O ATOM 0 H TYR A 96 -0.286 -7.599 -5.661 1.00 33.22 H new ATOM 0 HA TYR A 96 2.503 -7.899 -6.065 1.00 1.20 H new ATOM 0 HB2 TYR A 96 0.272 -9.253 -6.766 1.00 70.05 H new ATOM 0 HB3 TYR A 96 0.515 -8.363 -8.256 1.00 70.05 H new ATOM 0 HD1 TYR A 96 3.747 -8.533 -7.956 1.00 23.21 H new ATOM 0 HD2 TYR A 96 0.509 -11.372 -7.847 1.00 32.53 H new ATOM 0 HE1 TYR A 96 5.308 -10.342 -8.638 1.00 34.44 H new ATOM 0 HE2 TYR A 96 2.048 -13.167 -8.597 1.00 4.42 H new ATOM 0 HH TYR A 96 5.514 -12.475 -9.243 1.00 64.33 H new ATOM 1392 N ASP A 97 0.976 -5.688 -8.003 1.00 30.11 N ATOM 1393 CA ASP A 97 1.161 -4.632 -8.991 1.00 63.04 C ATOM 1394 C ASP A 97 1.975 -3.480 -8.423 1.00 21.24 C ATOM 1395 O ASP A 97 2.856 -2.963 -9.106 1.00 54.14 O ATOM 1396 CB ASP A 97 -0.218 -4.139 -9.441 1.00 51.43 C ATOM 1397 CG ASP A 97 -0.385 -4.106 -10.956 1.00 25.11 C ATOM 1398 OD1 ASP A 97 -0.133 -5.141 -11.609 1.00 42.25 O ATOM 1399 OD2 ASP A 97 -0.901 -3.098 -11.488 1.00 53.33 O ATOM 0 H ASP A 97 0.003 -5.820 -7.726 1.00 30.11 H new ATOM 0 HA ASP A 97 1.713 -5.031 -9.842 1.00 63.04 H new ATOM 0 HB2 ASP A 97 -0.984 -4.785 -9.013 1.00 51.43 H new ATOM 0 HB3 ASP A 97 -0.386 -3.138 -9.043 1.00 51.43 H new ATOM 1403 N LEU A 98 1.711 -3.106 -7.169 1.00 4.12 N ATOM 1404 CA LEU A 98 2.480 -2.145 -6.411 1.00 11.10 C ATOM 1405 C LEU A 98 3.933 -2.572 -6.337 1.00 30.22 C ATOM 1406 O LEU A 98 4.798 -1.750 -6.600 1.00 42.45 O ATOM 1407 CB LEU A 98 1.863 -2.045 -5.016 1.00 72.13 C ATOM 1408 CG LEU A 98 0.661 -1.090 -5.015 1.00 52.22 C ATOM 1409 CD1 LEU A 98 -0.273 -1.450 -3.868 1.00 22.44 C ATOM 1410 CD2 LEU A 98 1.151 0.346 -4.844 1.00 43.43 C ATOM 0 H LEU A 98 0.923 -3.485 -6.643 1.00 4.12 H new ATOM 0 HA LEU A 98 2.455 -1.169 -6.895 1.00 11.10 H new ATOM 0 HB2 LEU A 98 1.547 -3.033 -4.682 1.00 72.13 H new ATOM 0 HB3 LEU A 98 2.612 -1.693 -4.307 1.00 72.13 H new ATOM 0 HG LEU A 98 0.125 -1.180 -5.960 1.00 52.22 H new ATOM 0 HD11 LEU A 98 -1.126 -0.772 -3.867 1.00 22.44 H new ATOM 0 HD12 LEU A 98 -0.624 -2.475 -3.992 1.00 22.44 H new ATOM 0 HD13 LEU A 98 0.261 -1.362 -2.922 1.00 22.44 H new ATOM 0 HD21 LEU A 98 0.298 1.024 -4.843 1.00 43.43 H new ATOM 0 HD22 LEU A 98 1.688 0.437 -3.900 1.00 43.43 H new ATOM 0 HD23 LEU A 98 1.818 0.603 -5.667 1.00 43.43 H new ATOM 1421 N ALA A 99 4.204 -3.840 -6.012 1.00 74.13 N ATOM 1422 CA ALA A 99 5.555 -4.377 -5.900 1.00 44.24 C ATOM 1423 C ALA A 99 6.385 -4.045 -7.129 1.00 74.11 C ATOM 1424 O ALA A 99 7.489 -3.516 -7.013 1.00 4.20 O ATOM 1425 CB ALA A 99 5.507 -5.894 -5.729 1.00 23.32 C ATOM 0 H ALA A 99 3.477 -4.529 -5.817 1.00 74.13 H new ATOM 0 HA ALA A 99 6.020 -3.918 -5.027 1.00 44.24 H new ATOM 0 HB1 ALA A 99 6.522 -6.283 -5.647 1.00 23.32 H new ATOM 0 HB2 ALA A 99 4.949 -6.141 -4.826 1.00 23.32 H new ATOM 0 HB3 ALA A 99 5.016 -6.342 -6.593 1.00 23.32 H new ATOM 1431 N SER A 100 5.854 -4.401 -8.293 1.00 32.20 N ATOM 1432 CA SER A 100 6.499 -4.268 -9.584 1.00 14.43 C ATOM 1433 C SER A 100 6.666 -2.814 -10.033 1.00 62.42 C ATOM 1434 O SER A 100 7.428 -2.547 -10.961 1.00 24.31 O ATOM 1435 CB SER A 100 5.638 -5.057 -10.567 1.00 23.13 C ATOM 1436 OG SER A 100 5.795 -6.440 -10.284 1.00 10.04 O ATOM 0 H SER A 100 4.921 -4.808 -8.360 1.00 32.20 H new ATOM 0 HA SER A 100 7.517 -4.654 -9.531 1.00 14.43 H new ATOM 0 HB2 SER A 100 4.592 -4.766 -10.474 1.00 23.13 H new ATOM 0 HB3 SER A 100 5.938 -4.842 -11.593 1.00 23.13 H new ATOM 0 HG SER A 100 5.248 -6.965 -10.905 1.00 10.04 H new ATOM 1441 N ASN A 101 5.971 -1.873 -9.396 1.00 52.04 N ATOM 1442 CA ASN A 101 5.841 -0.486 -9.849 1.00 24.30 C ATOM 1443 C ASN A 101 6.044 0.520 -8.701 1.00 43.05 C ATOM 1444 O ASN A 101 5.492 1.618 -8.747 1.00 34.20 O ATOM 1445 CB ASN A 101 4.460 -0.315 -10.505 1.00 21.03 C ATOM 1446 CG ASN A 101 4.281 -1.148 -11.764 1.00 34.42 C ATOM 1447 OD1 ASN A 101 4.569 -0.704 -12.866 1.00 4.20 O ATOM 1448 ND2 ASN A 101 3.782 -2.369 -11.659 1.00 13.23 N ATOM 0 H ASN A 101 5.469 -2.057 -8.527 1.00 52.04 H new ATOM 0 HA ASN A 101 6.625 -0.275 -10.576 1.00 24.30 H new ATOM 0 HB2 ASN A 101 3.688 -0.588 -9.785 1.00 21.03 H new ATOM 0 HB3 ASN A 101 4.310 0.737 -10.750 1.00 21.03 H new ATOM 0 HD21 ASN A 101 3.639 -2.935 -12.495 1.00 13.23 H new ATOM 0 HD22 ASN A 101 3.540 -2.744 -10.742 1.00 13.23 H new ATOM 1454 N GLN A 102 6.807 0.186 -7.649 1.00 54.13 N ATOM 1455 CA GLN A 102 6.673 0.840 -6.340 1.00 2.04 C ATOM 1456 C GLN A 102 7.281 2.244 -6.314 1.00 33.43 C ATOM 1457 O GLN A 102 7.096 2.997 -5.358 1.00 53.05 O ATOM 1458 CB GLN A 102 7.286 -0.048 -5.229 1.00 22.31 C ATOM 1459 CG GLN A 102 8.764 -0.460 -5.397 1.00 34.51 C ATOM 1460 CD GLN A 102 9.362 -1.054 -4.114 1.00 33.44 C ATOM 1461 OE1 GLN A 102 10.254 -0.473 -3.495 1.00 21.53 O ATOM 1462 NE2 GLN A 102 8.876 -2.183 -3.629 1.00 24.12 N ATOM 0 H GLN A 102 7.526 -0.537 -7.681 1.00 54.13 H new ATOM 0 HA GLN A 102 5.606 0.962 -6.151 1.00 2.04 H new ATOM 0 HB2 GLN A 102 7.187 0.480 -4.280 1.00 22.31 H new ATOM 0 HB3 GLN A 102 6.688 -0.956 -5.152 1.00 22.31 H new ATOM 0 HG2 GLN A 102 8.844 -1.190 -6.202 1.00 34.51 H new ATOM 0 HG3 GLN A 102 9.348 0.410 -5.696 1.00 34.51 H new ATOM 0 HE21 GLN A 102 8.137 -2.677 -4.129 1.00 24.12 H new ATOM 0 HE22 GLN A 102 9.240 -2.561 -2.754 1.00 24.12 H new ATOM 1469 N VAL A 103 8.026 2.580 -7.357 1.00 21.33 N ATOM 1470 CA VAL A 103 8.768 3.809 -7.500 1.00 23.52 C ATOM 1471 C VAL A 103 7.988 4.709 -8.447 1.00 14.01 C ATOM 1472 O VAL A 103 7.693 5.846 -8.093 1.00 63.51 O ATOM 1473 CB VAL A 103 10.161 3.453 -8.045 1.00 51.15 C ATOM 1474 CG1 VAL A 103 11.057 4.669 -7.961 1.00 30.30 C ATOM 1475 CG2 VAL A 103 10.850 2.322 -7.273 1.00 71.42 C ATOM 0 H VAL A 103 8.130 1.966 -8.165 1.00 21.33 H new ATOM 0 HA VAL A 103 8.898 4.338 -6.556 1.00 23.52 H new ATOM 0 HB VAL A 103 10.008 3.119 -9.071 1.00 51.15 H new ATOM 0 HG11 VAL A 103 12.046 4.420 -8.347 1.00 30.30 H new ATOM 0 HG12 VAL A 103 10.629 5.478 -8.554 1.00 30.30 H new ATOM 0 HG13 VAL A 103 11.142 4.987 -6.922 1.00 30.30 H new ATOM 0 HG21 VAL A 103 11.828 2.124 -7.713 1.00 71.42 H new ATOM 0 HG22 VAL A 103 10.973 2.616 -6.231 1.00 71.42 H new ATOM 0 HG23 VAL A 103 10.239 1.421 -7.326 1.00 71.42 H new ATOM 1485 N ASP A 104 7.603 4.185 -9.615 1.00 2.11 N ATOM 1486 CA ASP A 104 6.880 4.950 -10.622 1.00 4.40 C ATOM 1487 C ASP A 104 5.543 5.447 -10.078 1.00 33.13 C ATOM 1488 O ASP A 104 5.231 6.634 -10.183 1.00 62.31 O ATOM 1489 CB ASP A 104 6.639 4.096 -11.866 1.00 64.25 C ATOM 1490 CG ASP A 104 5.757 4.850 -12.861 1.00 71.23 C ATOM 1491 OD1 ASP A 104 6.299 5.706 -13.599 1.00 2.21 O ATOM 1492 OD2 ASP A 104 4.548 4.551 -12.941 1.00 61.41 O ATOM 0 H ASP A 104 7.786 3.218 -9.884 1.00 2.11 H new ATOM 0 HA ASP A 104 7.491 5.813 -10.888 1.00 4.40 H new ATOM 0 HB2 ASP A 104 7.591 3.843 -12.332 1.00 64.25 H new ATOM 0 HB3 ASP A 104 6.162 3.157 -11.585 1.00 64.25 H new ATOM 1496 N LEU A 105 4.788 4.537 -9.447 1.00 23.03 N ATOM 1497 CA LEU A 105 3.512 4.863 -8.825 1.00 42.54 C ATOM 1498 C LEU A 105 3.710 5.929 -7.759 1.00 2.52 C ATOM 1499 O LEU A 105 2.913 6.857 -7.701 1.00 45.13 O ATOM 1500 CB LEU A 105 2.839 3.605 -8.242 1.00 73.44 C ATOM 1501 CG LEU A 105 2.230 2.708 -9.335 1.00 22.30 C ATOM 1502 CD1 LEU A 105 1.872 1.335 -8.749 1.00 2.31 C ATOM 1503 CD2 LEU A 105 1.009 3.374 -9.994 1.00 52.33 C ATOM 0 H LEU A 105 5.051 3.556 -9.357 1.00 23.03 H new ATOM 0 HA LEU A 105 2.844 5.260 -9.590 1.00 42.54 H new ATOM 0 HB2 LEU A 105 3.573 3.034 -7.673 1.00 73.44 H new ATOM 0 HB3 LEU A 105 2.057 3.904 -7.544 1.00 73.44 H new ATOM 0 HG LEU A 105 2.975 2.565 -10.118 1.00 22.30 H new ATOM 0 HD11 LEU A 105 1.442 0.707 -9.529 1.00 2.31 H new ATOM 0 HD12 LEU A 105 2.772 0.861 -8.357 1.00 2.31 H new ATOM 0 HD13 LEU A 105 1.148 1.461 -7.944 1.00 2.31 H new ATOM 0 HD21 LEU A 105 0.604 2.714 -10.761 1.00 52.33 H new ATOM 0 HD22 LEU A 105 0.246 3.564 -9.239 1.00 52.33 H new ATOM 0 HD23 LEU A 105 1.311 4.317 -10.450 1.00 52.33 H new ATOM 1514 N TRP A 106 4.762 5.815 -6.939 1.00 13.23 N ATOM 1515 CA TRP A 106 5.081 6.811 -5.930 1.00 51.15 C ATOM 1516 C TRP A 106 5.274 8.165 -6.586 1.00 50.01 C ATOM 1517 O TRP A 106 4.533 9.083 -6.255 1.00 13.34 O ATOM 1518 CB TRP A 106 6.281 6.379 -5.085 1.00 74.53 C ATOM 1519 CG TRP A 106 6.621 7.268 -3.929 1.00 74.22 C ATOM 1520 CD1 TRP A 106 7.780 7.944 -3.801 1.00 41.15 C ATOM 1521 CD2 TRP A 106 5.817 7.662 -2.773 1.00 31.42 C ATOM 1522 NE1 TRP A 106 7.813 8.586 -2.587 1.00 43.31 N ATOM 1523 CE2 TRP A 106 6.599 8.517 -1.945 1.00 42.05 C ATOM 1524 CE3 TRP A 106 4.483 7.447 -2.372 1.00 43.32 C ATOM 1525 CZ2 TRP A 106 6.089 9.128 -0.790 1.00 72.41 C ATOM 1526 CZ3 TRP A 106 3.956 8.054 -1.214 1.00 34.32 C ATOM 1527 CH2 TRP A 106 4.756 8.895 -0.423 1.00 21.20 C ATOM 0 H TRP A 106 5.410 5.028 -6.963 1.00 13.23 H new ATOM 0 HA TRP A 106 4.245 6.902 -5.236 1.00 51.15 H new ATOM 0 HB2 TRP A 106 6.090 5.376 -4.703 1.00 74.53 H new ATOM 0 HB3 TRP A 106 7.153 6.311 -5.735 1.00 74.53 H new ATOM 0 HD1 TRP A 106 8.565 7.976 -4.542 1.00 41.15 H new ATOM 0 HE1 TRP A 106 8.636 9.056 -2.209 1.00 43.31 H new ATOM 0 HE3 TRP A 106 3.851 6.803 -2.965 1.00 43.32 H new ATOM 0 HZ2 TRP A 106 6.716 9.771 -0.190 1.00 72.41 H new ATOM 0 HZ3 TRP A 106 2.929 7.871 -0.933 1.00 34.32 H new ATOM 0 HH2 TRP A 106 4.347 9.359 0.462 1.00 21.20 H new ATOM 1537 N GLU A 107 6.223 8.283 -7.513 1.00 44.33 N ATOM 1538 CA GLU A 107 6.603 9.509 -8.216 1.00 34.24 C ATOM 1539 C GLU A 107 5.394 10.264 -8.768 1.00 4.30 C ATOM 1540 O GLU A 107 5.349 11.496 -8.689 1.00 54.43 O ATOM 1541 CB GLU A 107 7.593 9.158 -9.335 1.00 14.40 C ATOM 1542 CG GLU A 107 9.032 9.545 -8.955 1.00 43.23 C ATOM 1543 CD GLU A 107 9.468 10.864 -9.590 1.00 10.43 C ATOM 1544 OE1 GLU A 107 9.528 10.925 -10.840 1.00 54.12 O ATOM 1545 OE2 GLU A 107 9.869 11.807 -8.864 1.00 30.24 O ATOM 0 H GLU A 107 6.779 7.481 -7.811 1.00 44.33 H new ATOM 0 HA GLU A 107 7.079 10.180 -7.501 1.00 34.24 H new ATOM 0 HB2 GLU A 107 7.545 8.089 -9.543 1.00 14.40 H new ATOM 0 HB3 GLU A 107 7.306 9.674 -10.251 1.00 14.40 H new ATOM 0 HG2 GLU A 107 9.110 9.624 -7.871 1.00 43.23 H new ATOM 0 HG3 GLU A 107 9.713 8.753 -9.266 1.00 43.23 H new ATOM 1550 N ASN A 108 4.402 9.528 -9.271 1.00 50.54 N ATOM 1551 CA ASN A 108 3.152 10.092 -9.754 1.00 53.34 C ATOM 1552 C ASN A 108 2.474 10.956 -8.691 1.00 50.13 C ATOM 1553 O ASN A 108 1.980 12.036 -9.012 1.00 21.22 O ATOM 1554 CB ASN A 108 2.213 8.964 -10.197 1.00 24.11 C ATOM 1555 CG ASN A 108 1.155 9.482 -11.157 1.00 65.32 C ATOM 1556 OD1 ASN A 108 0.075 9.908 -10.769 1.00 14.12 O ATOM 1557 ND2 ASN A 108 1.459 9.453 -12.444 1.00 1.21 N ATOM 0 H ASN A 108 4.450 8.512 -9.353 1.00 50.54 H new ATOM 0 HA ASN A 108 3.378 10.735 -10.605 1.00 53.34 H new ATOM 0 HB2 ASN A 108 2.790 8.174 -10.678 1.00 24.11 H new ATOM 0 HB3 ASN A 108 1.732 8.522 -9.324 1.00 24.11 H new ATOM 0 HD21 ASN A 108 0.788 9.790 -13.134 1.00 1.21 H new ATOM 0 HD22 ASN A 108 2.365 9.094 -12.746 1.00 1.21 H new ATOM 1563 N TYR A 109 2.491 10.546 -7.417 1.00 14.30 N ATOM 1564 CA TYR A 109 1.751 11.226 -6.376 1.00 65.24 C ATOM 1565 C TYR A 109 2.461 12.515 -6.038 1.00 52.32 C ATOM 1566 O TYR A 109 1.783 13.516 -5.832 1.00 43.25 O ATOM 1567 CB TYR A 109 1.595 10.354 -5.123 1.00 65.31 C ATOM 1568 CG TYR A 109 0.865 9.057 -5.390 1.00 63.43 C ATOM 1569 CD1 TYR A 109 -0.411 9.057 -5.986 1.00 45.52 C ATOM 1570 CD2 TYR A 109 1.519 7.843 -5.131 1.00 44.25 C ATOM 1571 CE1 TYR A 109 -0.992 7.845 -6.390 1.00 22.03 C ATOM 1572 CE2 TYR A 109 0.950 6.629 -5.541 1.00 13.12 C ATOM 1573 CZ TYR A 109 -0.296 6.632 -6.197 1.00 12.10 C ATOM 1574 OH TYR A 109 -0.812 5.462 -6.642 1.00 25.32 O ATOM 0 H TYR A 109 3.019 9.736 -7.092 1.00 14.30 H new ATOM 0 HA TYR A 109 0.746 11.437 -6.742 1.00 65.24 H new ATOM 0 HB2 TYR A 109 2.582 10.132 -4.717 1.00 65.31 H new ATOM 0 HB3 TYR A 109 1.056 10.917 -4.361 1.00 65.31 H new ATOM 0 HD1 TYR A 109 -0.941 9.987 -6.132 1.00 45.52 H new ATOM 0 HD2 TYR A 109 2.466 7.844 -4.613 1.00 44.25 H new ATOM 0 HE1 TYR A 109 -1.970 7.840 -6.848 1.00 22.03 H new ATOM 0 HE2 TYR A 109 1.464 5.698 -5.355 1.00 13.12 H new ATOM 0 HH TYR A 109 -1.013 4.882 -5.878 1.00 25.32 H new ATOM 1583 N LEU A 110 3.797 12.523 -5.975 1.00 53.53 N ATOM 1584 CA LEU A 110 4.554 13.720 -5.654 1.00 45.12 C ATOM 1585 C LEU A 110 4.284 14.807 -6.696 1.00 61.13 C ATOM 1586 O LEU A 110 4.078 15.968 -6.337 1.00 14.11 O ATOM 1587 CB LEU A 110 6.050 13.376 -5.607 1.00 63.53 C ATOM 1588 CG LEU A 110 6.495 12.358 -4.532 1.00 24.23 C ATOM 1589 CD1 LEU A 110 6.001 10.940 -4.671 1.00 1.44 C ATOM 1590 CD2 LEU A 110 8.014 12.277 -4.573 1.00 24.41 C ATOM 0 H LEU A 110 4.374 11.700 -6.146 1.00 53.53 H new ATOM 0 HA LEU A 110 4.245 14.098 -4.679 1.00 45.12 H new ATOM 0 HB2 LEU A 110 6.341 12.989 -6.583 1.00 63.53 H new ATOM 0 HB3 LEU A 110 6.607 14.300 -5.452 1.00 63.53 H new ATOM 0 HG LEU A 110 6.061 12.738 -3.608 1.00 24.23 H new ATOM 0 HD11 LEU A 110 6.390 10.337 -3.850 1.00 1.44 H new ATOM 0 HD12 LEU A 110 4.911 10.930 -4.644 1.00 1.44 H new ATOM 0 HD13 LEU A 110 6.344 10.526 -5.619 1.00 1.44 H new ATOM 0 HD21 LEU A 110 8.361 11.565 -3.824 1.00 24.41 H new ATOM 0 HD22 LEU A 110 8.334 11.949 -5.562 1.00 24.41 H new ATOM 0 HD23 LEU A 110 8.437 13.259 -4.363 1.00 24.41 H new ATOM 1601 N ALA A 111 4.245 14.431 -7.976 1.00 65.44 N ATOM 1602 CA ALA A 111 3.909 15.339 -9.058 1.00 23.11 C ATOM 1603 C ALA A 111 2.445 15.781 -8.967 1.00 61.11 C ATOM 1604 O ALA A 111 2.187 16.982 -8.808 1.00 2.23 O ATOM 1605 CB ALA A 111 4.235 14.671 -10.398 1.00 71.43 C ATOM 0 H ALA A 111 4.448 13.481 -8.286 1.00 65.44 H new ATOM 0 HA ALA A 111 4.509 16.245 -8.976 1.00 23.11 H new ATOM 0 HB1 ALA A 111 3.984 15.350 -11.213 1.00 71.43 H new ATOM 0 HB2 ALA A 111 5.298 14.434 -10.437 1.00 71.43 H new ATOM 0 HB3 ALA A 111 3.655 13.754 -10.498 1.00 71.43 H new ATOM 1611 N ARG A 112 1.479 14.855 -9.065 1.00 11.24 N ATOM 1612 CA ARG A 112 0.060 15.222 -9.132 1.00 32.24 C ATOM 1613 C ARG A 112 -0.385 15.996 -7.902 1.00 44.32 C ATOM 1614 O ARG A 112 -1.197 16.897 -8.041 1.00 63.12 O ATOM 1615 CB ARG A 112 -0.871 14.015 -9.344 1.00 24.01 C ATOM 1616 CG ARG A 112 -0.643 13.289 -10.679 1.00 24.14 C ATOM 1617 CD ARG A 112 -1.907 12.591 -11.201 1.00 4.41 C ATOM 1618 NE ARG A 112 -2.847 13.561 -11.793 1.00 2.21 N ATOM 1619 CZ ARG A 112 -4.077 13.324 -12.257 1.00 30.10 C ATOM 1620 NH1 ARG A 112 -4.631 12.120 -12.184 1.00 4.50 N ATOM 1621 NH2 ARG A 112 -4.755 14.298 -12.842 1.00 61.01 N ATOM 0 H ARG A 112 1.655 13.851 -9.099 1.00 11.24 H new ATOM 0 HA ARG A 112 -0.025 15.864 -10.009 1.00 32.24 H new ATOM 0 HB2 ARG A 112 -0.728 13.308 -8.527 1.00 24.01 H new ATOM 0 HB3 ARG A 112 -1.906 14.352 -9.296 1.00 24.01 H new ATOM 0 HG2 ARG A 112 -0.296 14.006 -11.423 1.00 24.14 H new ATOM 0 HG3 ARG A 112 0.149 12.551 -10.555 1.00 24.14 H new ATOM 0 HD2 ARG A 112 -1.632 11.846 -11.947 1.00 4.41 H new ATOM 0 HD3 ARG A 112 -2.395 12.059 -10.384 1.00 4.41 H new ATOM 0 HE ARG A 112 -2.520 14.525 -11.855 1.00 2.21 H new ATOM 0 HH11 ARG A 112 -4.115 11.346 -11.765 1.00 4.50 H new ATOM 0 HH12 ARG A 112 -5.572 11.969 -12.547 1.00 4.50 H new ATOM 0 HH21 ARG A 112 -4.338 15.224 -12.937 1.00 61.01 H new ATOM 0 HH22 ARG A 112 -5.695 14.123 -13.198 1.00 61.01 H new ATOM 1632 N LEU A 113 0.186 15.745 -6.722 1.00 53.44 N ATOM 1633 CA LEU A 113 -0.094 16.454 -5.475 1.00 5.20 C ATOM 1634 C LEU A 113 -0.004 17.958 -5.671 1.00 13.31 C ATOM 1635 O LEU A 113 -0.869 18.704 -5.204 1.00 2.51 O ATOM 1636 CB LEU A 113 0.889 15.921 -4.420 1.00 72.12 C ATOM 1637 CG LEU A 113 0.962 16.558 -3.030 1.00 51.22 C ATOM 1638 CD1 LEU A 113 1.967 17.705 -2.952 1.00 70.22 C ATOM 1639 CD2 LEU A 113 -0.398 16.918 -2.470 1.00 43.11 C ATOM 0 H LEU A 113 0.885 15.011 -6.606 1.00 53.44 H new ATOM 0 HA LEU A 113 -1.114 16.273 -5.136 1.00 5.20 H new ATOM 0 HB2 LEU A 113 0.665 14.864 -4.277 1.00 72.12 H new ATOM 0 HB3 LEU A 113 1.888 15.980 -4.853 1.00 72.12 H new ATOM 0 HG LEU A 113 1.352 15.783 -2.370 1.00 51.22 H new ATOM 0 HD11 LEU A 113 1.973 18.116 -1.942 1.00 70.22 H new ATOM 0 HD12 LEU A 113 2.962 17.334 -3.199 1.00 70.22 H new ATOM 0 HD13 LEU A 113 1.685 18.485 -3.659 1.00 70.22 H new ATOM 0 HD21 LEU A 113 -0.278 17.365 -1.483 1.00 43.11 H new ATOM 0 HD22 LEU A 113 -0.888 17.630 -3.134 1.00 43.11 H new ATOM 0 HD23 LEU A 113 -1.008 16.018 -2.389 1.00 43.11 H new ATOM 1650 N ARG A 114 1.015 18.405 -6.403 1.00 41.45 N ATOM 1651 CA ARG A 114 1.197 19.822 -6.680 1.00 74.44 C ATOM 1652 C ARG A 114 0.167 20.339 -7.677 1.00 13.13 C ATOM 1653 O ARG A 114 -0.451 21.377 -7.428 1.00 73.23 O ATOM 1654 CB ARG A 114 2.629 20.076 -7.153 1.00 70.14 C ATOM 1655 CG ARG A 114 3.577 20.013 -5.952 1.00 10.12 C ATOM 1656 CD ARG A 114 5.020 19.762 -6.372 1.00 12.54 C ATOM 1657 NE ARG A 114 5.925 20.032 -5.246 1.00 10.23 N ATOM 1658 CZ ARG A 114 7.172 19.584 -5.098 1.00 34.12 C ATOM 1659 NH1 ARG A 114 7.687 18.722 -5.969 1.00 43.02 N ATOM 1660 NH2 ARG A 114 7.891 20.014 -4.070 1.00 33.43 N ATOM 0 H ARG A 114 1.727 17.802 -6.814 1.00 41.45 H new ATOM 0 HA ARG A 114 1.036 20.381 -5.758 1.00 74.44 H new ATOM 0 HB2 ARG A 114 2.916 19.333 -7.897 1.00 70.14 H new ATOM 0 HB3 ARG A 114 2.698 21.052 -7.634 1.00 70.14 H new ATOM 0 HG2 ARG A 114 3.519 20.949 -5.396 1.00 10.12 H new ATOM 0 HG3 ARG A 114 3.254 19.221 -5.277 1.00 10.12 H new ATOM 0 HD2 ARG A 114 5.137 18.730 -6.704 1.00 12.54 H new ATOM 0 HD3 ARG A 114 5.278 20.400 -7.217 1.00 12.54 H new ATOM 0 HE ARG A 114 5.561 20.624 -4.500 1.00 10.23 H new ATOM 0 HH11 ARG A 114 7.127 18.398 -6.758 1.00 43.02 H new ATOM 0 HH12 ARG A 114 8.642 18.384 -5.848 1.00 43.02 H new ATOM 0 HH21 ARG A 114 7.488 20.677 -3.408 1.00 33.43 H new ATOM 0 HH22 ARG A 114 8.847 19.682 -3.942 1.00 33.43 H new ATOM 1671 N ALA A 115 -0.095 19.608 -8.763 1.00 42.42 N ATOM 1672 CA ALA A 115 -1.125 19.993 -9.726 1.00 2.12 C ATOM 1673 C ALA A 115 -2.522 19.960 -9.089 1.00 43.35 C ATOM 1674 O ALA A 115 -3.419 20.667 -9.542 1.00 64.14 O ATOM 1675 CB ALA A 115 -1.067 19.068 -10.944 1.00 74.42 C ATOM 0 H ALA A 115 0.394 18.744 -8.996 1.00 42.42 H new ATOM 0 HA ALA A 115 -0.933 21.017 -10.046 1.00 2.12 H new ATOM 0 HB1 ALA A 115 -1.837 19.359 -11.659 1.00 74.42 H new ATOM 0 HB2 ALA A 115 -0.087 19.147 -11.414 1.00 74.42 H new ATOM 0 HB3 ALA A 115 -1.236 18.039 -10.628 1.00 74.42 H new ATOM 1681 N ALA A 116 -2.689 19.180 -8.020 1.00 32.00 N ATOM 1682 CA ALA A 116 -3.906 18.946 -7.264 1.00 24.23 C ATOM 1683 C ALA A 116 -3.995 19.868 -6.045 1.00 53.24 C ATOM 1684 O ALA A 116 -4.933 19.768 -5.257 1.00 53.14 O ATOM 1685 CB ALA A 116 -3.921 17.492 -6.806 1.00 23.14 C ATOM 0 H ALA A 116 -1.905 18.654 -7.633 1.00 32.00 H new ATOM 0 HA ALA A 116 -4.762 19.158 -7.904 1.00 24.23 H new ATOM 0 HB1 ALA A 116 -4.830 17.299 -6.236 1.00 23.14 H new ATOM 0 HB2 ALA A 116 -3.893 16.836 -7.676 1.00 23.14 H new ATOM 0 HB3 ALA A 116 -3.051 17.299 -6.178 1.00 23.14 H new ATOM 1691 N LYS A 117 -3.041 20.795 -5.921 1.00 72.11 N ATOM 1692 CA LYS A 117 -3.012 21.882 -4.960 1.00 41.21 C ATOM 1693 C LYS A 117 -3.072 21.414 -3.501 1.00 52.55 C ATOM 1694 O LYS A 117 -3.471 22.204 -2.648 1.00 12.33 O ATOM 1695 CB LYS A 117 -4.083 22.952 -5.283 1.00 21.22 C ATOM 1696 CG LYS A 117 -4.109 23.438 -6.743 1.00 33.44 C ATOM 1697 CD LYS A 117 -5.122 22.664 -7.589 1.00 41.43 C ATOM 1698 CE LYS A 117 -5.108 23.194 -9.016 1.00 14.10 C ATOM 1699 NZ LYS A 117 -5.739 22.242 -9.952 1.00 72.12 N ATOM 0 H LYS A 117 -2.222 20.800 -6.529 1.00 72.11 H new ATOM 0 HA LYS A 117 -2.035 22.354 -5.065 1.00 41.21 H new ATOM 0 HB2 LYS A 117 -5.064 22.547 -5.035 1.00 21.22 H new ATOM 0 HB3 LYS A 117 -3.920 23.812 -4.634 1.00 21.22 H new ATOM 0 HG2 LYS A 117 -4.354 24.500 -6.767 1.00 33.44 H new ATOM 0 HG3 LYS A 117 -3.116 23.330 -7.178 1.00 33.44 H new ATOM 0 HD2 LYS A 117 -4.879 21.601 -7.583 1.00 41.43 H new ATOM 0 HD3 LYS A 117 -6.120 22.766 -7.163 1.00 41.43 H new ATOM 0 HE2 LYS A 117 -5.633 24.148 -9.056 1.00 14.10 H new ATOM 0 HE3 LYS A 117 -4.080 23.383 -9.325 1.00 14.10 H new ATOM 0 HZ1 LYS A 117 -5.897 22.709 -10.868 1.00 72.12 H new ATOM 0 HZ2 LYS A 117 -5.115 21.421 -10.085 1.00 72.12 H new ATOM 0 HZ3 LYS A 117 -6.650 21.925 -9.563 1.00 72.12 H new ATOM 1709 N ALA A 118 -2.696 20.170 -3.183 1.00 22.23 N ATOM 1710 CA ALA A 118 -3.030 19.590 -1.889 1.00 21.32 C ATOM 1711 C ALA A 118 -1.850 19.725 -0.911 1.00 51.54 C ATOM 1712 O ALA A 118 -0.820 20.323 -1.239 1.00 22.31 O ATOM 1713 CB ALA A 118 -3.535 18.163 -2.141 1.00 71.15 C ATOM 0 H ALA A 118 -2.166 19.555 -3.801 1.00 22.23 H new ATOM 0 HA ALA A 118 -3.835 20.126 -1.386 1.00 21.32 H new ATOM 0 HB1 ALA A 118 -3.795 17.696 -1.191 1.00 71.15 H new ATOM 0 HB2 ALA A 118 -4.416 18.197 -2.782 1.00 71.15 H new ATOM 0 HB3 ALA A 118 -2.753 17.581 -2.629 1.00 71.15 H new ATOM 1719 N SER A 119 -2.005 19.202 0.307 1.00 30.22 N ATOM 1720 CA SER A 119 -1.081 19.335 1.436 1.00 23.10 C ATOM 1721 C SER A 119 0.321 18.782 1.161 1.00 61.14 C ATOM 1722 O SER A 119 0.578 18.140 0.157 1.00 62.01 O ATOM 1723 CB SER A 119 -1.670 18.614 2.658 1.00 51.25 C ATOM 1724 OG SER A 119 -3.066 18.876 2.764 1.00 74.35 O ATOM 0 H SER A 119 -2.824 18.643 0.546 1.00 30.22 H new ATOM 0 HA SER A 119 -0.966 20.404 1.616 1.00 23.10 H new ATOM 0 HB2 SER A 119 -1.501 17.541 2.572 1.00 51.25 H new ATOM 0 HB3 SER A 119 -1.162 18.945 3.564 1.00 51.25 H new ATOM 0 HG SER A 119 -3.428 18.409 3.546 1.00 74.35 H new ATOM 1729 N ARG A 120 1.243 18.915 2.105 1.00 22.50 N ATOM 1730 CA ARG A 120 2.523 18.224 2.110 1.00 54.35 C ATOM 1731 C ARG A 120 2.881 18.026 3.570 1.00 42.42 C ATOM 1732 O ARG A 120 3.377 18.929 4.245 1.00 53.44 O ATOM 1733 CB ARG A 120 3.615 18.929 1.275 1.00 50.05 C ATOM 1734 CG ARG A 120 3.447 20.439 1.068 1.00 2.30 C ATOM 1735 CD ARG A 120 4.778 21.140 0.745 1.00 3.43 C ATOM 1736 NE ARG A 120 4.690 21.958 -0.470 1.00 61.13 N ATOM 1737 CZ ARG A 120 4.002 23.085 -0.665 1.00 10.12 C ATOM 1738 NH1 ARG A 120 3.441 23.748 0.343 1.00 61.45 N ATOM 1739 NH2 ARG A 120 3.879 23.517 -1.911 1.00 63.14 N ATOM 0 H ARG A 120 1.116 19.525 2.912 1.00 22.50 H new ATOM 0 HA ARG A 120 2.447 17.261 1.606 1.00 54.35 H new ATOM 0 HB2 ARG A 120 4.578 18.755 1.755 1.00 50.05 H new ATOM 0 HB3 ARG A 120 3.657 18.453 0.296 1.00 50.05 H new ATOM 0 HG2 ARG A 120 2.741 20.615 0.257 1.00 2.30 H new ATOM 0 HG3 ARG A 120 3.016 20.880 1.967 1.00 2.30 H new ATOM 0 HD2 ARG A 120 5.069 21.770 1.586 1.00 3.43 H new ATOM 0 HD3 ARG A 120 5.561 20.392 0.622 1.00 3.43 H new ATOM 0 HE ARG A 120 5.225 21.621 -1.271 1.00 61.13 H new ATOM 0 HH11 ARG A 120 3.531 23.397 1.297 1.00 61.45 H new ATOM 0 HH12 ARG A 120 2.921 24.607 0.162 1.00 61.45 H new ATOM 0 HH21 ARG A 120 4.302 22.993 -2.677 1.00 63.14 H new ATOM 0 HH22 ARG A 120 3.361 24.374 -2.105 1.00 63.14 H new ATOM 1750 N GLU A 121 2.482 16.873 4.083 1.00 62.45 N ATOM 1751 CA GLU A 121 3.029 16.310 5.320 1.00 11.01 C ATOM 1752 C GLU A 121 4.530 15.988 5.108 1.00 74.31 C ATOM 1753 O GLU A 121 5.029 16.162 3.993 1.00 72.22 O ATOM 1754 CB GLU A 121 2.091 15.194 5.805 1.00 61.44 C ATOM 1755 CG GLU A 121 2.158 13.986 4.915 1.00 51.12 C ATOM 1756 CD GLU A 121 3.529 13.365 5.048 1.00 23.12 C ATOM 1757 OE1 GLU A 121 3.872 13.138 6.204 1.00 24.43 O ATOM 1758 OE2 GLU A 121 4.252 13.170 4.067 1.00 11.01 O ATOM 0 H GLU A 121 1.763 16.292 3.653 1.00 62.45 H new ATOM 0 HA GLU A 121 3.048 17.004 6.160 1.00 11.01 H new ATOM 0 HB2 GLU A 121 2.358 14.911 6.823 1.00 61.44 H new ATOM 0 HB3 GLU A 121 1.067 15.567 5.836 1.00 61.44 H new ATOM 0 HG2 GLU A 121 1.388 13.267 5.195 1.00 51.12 H new ATOM 0 HG3 GLU A 121 1.969 14.268 3.879 1.00 51.12 H new ATOM 1763 N PRO A 122 5.309 15.694 6.159 1.00 65.35 N ATOM 1764 CA PRO A 122 6.727 15.371 6.025 1.00 51.01 C ATOM 1765 C PRO A 122 7.037 13.953 5.513 1.00 50.41 C ATOM 1766 O PRO A 122 7.078 12.967 6.251 1.00 25.43 O ATOM 1767 CB PRO A 122 7.278 15.516 7.440 1.00 23.30 C ATOM 1768 CG PRO A 122 6.083 15.148 8.318 1.00 52.33 C ATOM 1769 CD PRO A 122 4.885 15.646 7.540 1.00 31.32 C ATOM 0 HA PRO A 122 7.171 16.029 5.278 1.00 51.01 H new ATOM 0 HB2 PRO A 122 8.125 14.852 7.613 1.00 23.30 H new ATOM 0 HB3 PRO A 122 7.624 16.531 7.636 1.00 23.30 H new ATOM 0 HG2 PRO A 122 6.029 14.073 8.487 1.00 52.33 H new ATOM 0 HG3 PRO A 122 6.147 15.622 9.297 1.00 52.33 H new ATOM 0 HD2 PRO A 122 4.032 14.979 7.665 1.00 31.32 H new ATOM 0 HD3 PRO A 122 4.573 16.631 7.889 1.00 31.32 H new ATOM 1774 N LEU A 123 7.592 13.958 4.311 1.00 70.45 N ATOM 1775 CA LEU A 123 8.074 12.811 3.536 1.00 14.44 C ATOM 1776 C LEU A 123 9.568 12.826 3.258 1.00 52.45 C ATOM 1777 O LEU A 123 10.089 11.977 2.535 1.00 51.13 O ATOM 1778 CB LEU A 123 7.254 12.562 2.262 1.00 22.54 C ATOM 1779 CG LEU A 123 7.377 13.554 1.091 1.00 23.40 C ATOM 1780 CD1 LEU A 123 7.170 14.964 1.606 1.00 34.33 C ATOM 1781 CD2 LEU A 123 8.692 13.549 0.307 1.00 4.31 C ATOM 0 H LEU A 123 7.731 14.833 3.806 1.00 70.45 H new ATOM 0 HA LEU A 123 7.911 11.956 4.192 1.00 14.44 H new ATOM 0 HB2 LEU A 123 7.521 11.574 1.886 1.00 22.54 H new ATOM 0 HB3 LEU A 123 6.203 12.520 2.549 1.00 22.54 H new ATOM 0 HG LEU A 123 6.612 13.217 0.391 1.00 23.40 H new ATOM 0 HD11 LEU A 123 7.256 15.670 0.780 1.00 34.33 H new ATOM 0 HD12 LEU A 123 6.179 15.047 2.052 1.00 34.33 H new ATOM 0 HD13 LEU A 123 7.926 15.191 2.358 1.00 34.33 H new ATOM 0 HD21 LEU A 123 8.645 14.293 -0.488 1.00 4.31 H new ATOM 0 HD22 LEU A 123 9.517 13.787 0.979 1.00 4.31 H new ATOM 0 HD23 LEU A 123 8.852 12.563 -0.129 1.00 4.31 H new ATOM 1792 N ILE A 124 10.258 13.832 3.786 1.00 65.32 N ATOM 1793 CA ILE A 124 11.676 13.980 3.597 1.00 1.32 C ATOM 1794 C ILE A 124 12.325 12.855 4.375 1.00 72.44 C ATOM 1795 O ILE A 124 12.021 12.611 5.548 1.00 71.41 O ATOM 1796 CB ILE A 124 12.182 15.344 4.082 1.00 10.23 C ATOM 1797 CG1 ILE A 124 11.332 16.512 3.545 1.00 30.33 C ATOM 1798 CG2 ILE A 124 13.649 15.552 3.695 1.00 14.33 C ATOM 1799 CD1 ILE A 124 10.163 16.893 4.463 1.00 22.41 C ATOM 0 H ILE A 124 9.837 14.565 4.358 1.00 65.32 H new ATOM 0 HA ILE A 124 11.927 13.932 2.537 1.00 1.32 H new ATOM 0 HB ILE A 124 12.091 15.339 5.168 1.00 10.23 H new ATOM 0 HG12 ILE A 124 11.973 17.383 3.406 1.00 30.33 H new ATOM 0 HG13 ILE A 124 10.940 16.244 2.564 1.00 30.33 H new ATOM 0 HG21 ILE A 124 13.984 16.526 4.050 1.00 14.33 H new ATOM 0 HG22 ILE A 124 14.259 14.771 4.148 1.00 14.33 H new ATOM 0 HG23 ILE A 124 13.749 15.507 2.611 1.00 14.33 H new ATOM 0 HD11 ILE A 124 9.609 17.722 4.022 1.00 22.41 H new ATOM 0 HD12 ILE A 124 9.500 16.036 4.583 1.00 22.41 H new ATOM 0 HD13 ILE A 124 10.548 17.192 5.438 1.00 22.41 H new ATOM 1810 N ASP A 125 13.270 12.246 3.699 1.00 63.54 N ATOM 1811 CA ASP A 125 14.161 11.215 4.186 1.00 73.24 C ATOM 1812 C ASP A 125 15.479 11.338 3.425 1.00 73.34 C ATOM 1813 O ASP A 125 15.585 12.130 2.484 1.00 41.35 O ATOM 1814 CB ASP A 125 13.523 9.827 3.997 1.00 34.23 C ATOM 1815 CG ASP A 125 13.951 8.851 5.091 1.00 4.11 C ATOM 1816 OD1 ASP A 125 15.139 8.861 5.486 1.00 51.45 O ATOM 1817 OD2 ASP A 125 13.054 8.174 5.646 1.00 21.23 O ATOM 0 H ASP A 125 13.451 12.474 2.721 1.00 63.54 H new ATOM 0 HA ASP A 125 14.347 11.336 5.253 1.00 73.24 H new ATOM 0 HB2 ASP A 125 12.437 9.923 4.000 1.00 34.23 H new ATOM 0 HB3 ASP A 125 13.805 9.427 3.023 1.00 34.23 H new ATOM 1821 N MET A 126 16.479 10.573 3.836 1.00 65.35 N ATOM 1822 CA MET A 126 17.791 10.474 3.252 1.00 73.33 C ATOM 1823 C MET A 126 18.411 9.090 3.484 1.00 34.30 C ATOM 1824 O MET A 126 19.481 8.816 2.942 1.00 13.10 O ATOM 1825 CB MET A 126 18.640 11.578 3.877 1.00 50.24 C ATOM 1826 CG MET A 126 18.866 11.461 5.396 1.00 73.45 C ATOM 1827 SD MET A 126 18.955 13.045 6.281 1.00 65.25 S ATOM 1828 CE MET A 126 20.091 13.964 5.213 1.00 42.02 C ATOM 0 H MET A 126 16.378 9.963 4.647 1.00 65.35 H new ATOM 0 HA MET A 126 17.736 10.597 2.170 1.00 73.33 H new ATOM 0 HB2 MET A 126 19.611 11.589 3.383 1.00 50.24 H new ATOM 0 HB3 MET A 126 18.166 12.538 3.671 1.00 50.24 H new ATOM 0 HG2 MET A 126 18.058 10.867 5.824 1.00 73.45 H new ATOM 0 HG3 MET A 126 19.792 10.912 5.570 1.00 73.45 H new ATOM 0 HE1 MET A 126 20.485 14.824 5.755 1.00 42.02 H new ATOM 0 HE2 MET A 126 20.914 13.315 4.914 1.00 42.02 H new ATOM 0 HE3 MET A 126 19.559 14.307 4.326 1.00 42.02 H new ATOM 1836 N ALA A 127 17.764 8.227 4.275 1.00 11.12 N ATOM 1837 CA ALA A 127 18.290 6.999 4.827 1.00 13.10 C ATOM 1838 C ALA A 127 17.404 5.846 4.361 1.00 11.21 C ATOM 1839 O ALA A 127 16.595 5.301 5.115 1.00 74.33 O ATOM 1840 CB ALA A 127 18.354 7.146 6.350 1.00 5.21 C ATOM 0 H ALA A 127 16.797 8.389 4.558 1.00 11.12 H new ATOM 0 HA ALA A 127 19.302 6.785 4.482 1.00 13.10 H new ATOM 0 HB1 ALA A 127 18.749 6.229 6.788 1.00 5.21 H new ATOM 0 HB2 ALA A 127 19.005 7.981 6.608 1.00 5.21 H new ATOM 0 HB3 ALA A 127 17.353 7.333 6.740 1.00 5.21 H new ATOM 1846 N VAL A 128 17.519 5.517 3.080 1.00 25.51 N ATOM 1847 CA VAL A 128 16.594 4.660 2.348 1.00 30.53 C ATOM 1848 C VAL A 128 17.344 3.957 1.203 1.00 11.03 C ATOM 1849 O VAL A 128 18.399 4.438 0.793 1.00 13.01 O ATOM 1850 CB VAL A 128 15.420 5.560 1.887 1.00 42.33 C ATOM 1851 CG1 VAL A 128 15.831 6.665 0.898 1.00 65.32 C ATOM 1852 CG2 VAL A 128 14.259 4.747 1.318 1.00 61.12 C ATOM 0 H VAL A 128 18.288 5.853 2.500 1.00 25.51 H new ATOM 0 HA VAL A 128 16.183 3.856 2.958 1.00 30.53 H new ATOM 0 HB VAL A 128 15.085 6.060 2.796 1.00 42.33 H new ATOM 0 HG11 VAL A 128 14.954 7.252 0.623 1.00 65.32 H new ATOM 0 HG12 VAL A 128 16.571 7.315 1.366 1.00 65.32 H new ATOM 0 HG13 VAL A 128 16.260 6.212 0.004 1.00 65.32 H new ATOM 0 HG21 VAL A 128 13.460 5.421 1.008 1.00 61.12 H new ATOM 0 HG22 VAL A 128 14.604 4.173 0.458 1.00 61.12 H new ATOM 0 HG23 VAL A 128 13.883 4.066 2.081 1.00 61.12 H new ATOM 1862 N LYS A 129 16.809 2.835 0.696 1.00 72.44 N ATOM 1863 CA LYS A 129 17.283 2.088 -0.473 1.00 70.12 C ATOM 1864 C LYS A 129 18.797 1.927 -0.464 1.00 52.14 C ATOM 1865 O LYS A 129 19.510 2.423 -1.338 1.00 53.33 O ATOM 1866 CB LYS A 129 16.783 2.702 -1.782 1.00 41.05 C ATOM 1867 CG LYS A 129 15.314 2.396 -2.088 1.00 3.31 C ATOM 1868 CD LYS A 129 14.889 3.073 -3.398 1.00 30.50 C ATOM 1869 CE LYS A 129 14.117 2.108 -4.305 1.00 72.42 C ATOM 1870 NZ LYS A 129 13.881 2.705 -5.634 1.00 50.14 N ATOM 0 H LYS A 129 15.987 2.403 1.117 1.00 72.44 H new ATOM 0 HA LYS A 129 16.855 1.088 -0.408 1.00 70.12 H new ATOM 0 HB2 LYS A 129 16.918 3.783 -1.740 1.00 41.05 H new ATOM 0 HB3 LYS A 129 17.399 2.335 -2.603 1.00 41.05 H new ATOM 0 HG2 LYS A 129 15.168 1.318 -2.164 1.00 3.31 H new ATOM 0 HG3 LYS A 129 14.685 2.746 -1.270 1.00 3.31 H new ATOM 0 HD2 LYS A 129 14.268 3.940 -3.175 1.00 30.50 H new ATOM 0 HD3 LYS A 129 15.772 3.439 -3.922 1.00 30.50 H new ATOM 0 HE2 LYS A 129 14.677 1.179 -4.414 1.00 72.42 H new ATOM 0 HE3 LYS A 129 13.164 1.853 -3.843 1.00 72.42 H new ATOM 0 HZ1 LYS A 129 13.417 2.008 -6.250 1.00 50.14 H new ATOM 0 HZ2 LYS A 129 13.270 3.541 -5.536 1.00 50.14 H new ATOM 0 HZ3 LYS A 129 14.789 2.988 -6.054 1.00 50.14 H new ATOM 1880 N TYR A 130 19.285 1.188 0.519 1.00 2.20 N ATOM 1881 CA TYR A 130 20.696 0.870 0.620 1.00 24.34 C ATOM 1882 C TYR A 130 21.004 -0.297 -0.329 1.00 61.55 C ATOM 1883 O TYR A 130 21.265 -1.415 0.124 1.00 64.32 O ATOM 1884 CB TYR A 130 21.071 0.576 2.080 1.00 52.34 C ATOM 1885 CG TYR A 130 20.947 1.765 3.018 1.00 3.40 C ATOM 1886 CD1 TYR A 130 19.727 2.033 3.670 1.00 62.31 C ATOM 1887 CD2 TYR A 130 22.063 2.586 3.268 1.00 30.21 C ATOM 1888 CE1 TYR A 130 19.630 3.093 4.588 1.00 1.11 C ATOM 1889 CE2 TYR A 130 21.976 3.641 4.193 1.00 32.24 C ATOM 1890 CZ TYR A 130 20.764 3.888 4.873 1.00 31.41 C ATOM 1891 OH TYR A 130 20.666 4.888 5.789 1.00 22.33 O ATOM 0 H TYR A 130 18.714 0.794 1.267 1.00 2.20 H new ATOM 0 HA TYR A 130 21.308 1.719 0.315 1.00 24.34 H new ATOM 0 HB2 TYR A 130 20.436 -0.229 2.449 1.00 52.34 H new ATOM 0 HB3 TYR A 130 22.098 0.211 2.111 1.00 52.34 H new ATOM 0 HD1 TYR A 130 18.862 1.421 3.463 1.00 62.31 H new ATOM 0 HD2 TYR A 130 22.991 2.404 2.746 1.00 30.21 H new ATOM 0 HE1 TYR A 130 18.689 3.300 5.076 1.00 1.11 H new ATOM 0 HE2 TYR A 130 22.838 4.263 4.384 1.00 32.24 H new ATOM 0 HH TYR A 130 21.531 5.341 5.873 1.00 22.33 H new ATOM 1900 N HIS A 131 20.909 -0.070 -1.641 1.00 14.32 N ATOM 1901 CA HIS A 131 21.247 -1.021 -2.693 1.00 34.21 C ATOM 1902 C HIS A 131 21.546 -0.252 -3.990 1.00 22.44 C ATOM 1903 O HIS A 131 21.732 0.968 -3.967 1.00 74.41 O ATOM 1904 CB HIS A 131 20.150 -2.090 -2.854 1.00 70.51 C ATOM 1905 CG HIS A 131 18.854 -1.640 -3.482 1.00 62.21 C ATOM 1906 ND1 HIS A 131 18.409 -1.986 -4.737 1.00 24.41 N ATOM 1907 CD2 HIS A 131 17.868 -0.906 -2.885 1.00 42.12 C ATOM 1908 CE1 HIS A 131 17.162 -1.522 -4.874 1.00 13.20 C ATOM 1909 NE2 HIS A 131 16.792 -0.830 -3.778 1.00 72.23 N ATOM 0 H HIS A 131 20.580 0.822 -2.011 1.00 14.32 H new ATOM 0 HA HIS A 131 22.147 -1.572 -2.421 1.00 34.21 H new ATOM 0 HB2 HIS A 131 20.554 -2.905 -3.454 1.00 70.51 H new ATOM 0 HB3 HIS A 131 19.927 -2.500 -1.869 1.00 70.51 H new ATOM 0 HD1 HIS A 131 18.937 -2.505 -5.439 1.00 24.41 H new ATOM 0 HD2 HIS A 131 17.911 -0.464 -1.901 1.00 42.12 H new ATOM 0 HE1 HIS A 131 16.539 -1.680 -5.742 1.00 13.20 H new ATOM 1916 N THR A 132 21.610 -0.955 -5.121 1.00 5.43 N ATOM 1917 CA THR A 132 21.877 -0.416 -6.447 1.00 65.41 C ATOM 1918 C THR A 132 20.795 -0.921 -7.403 1.00 14.30 C ATOM 1919 O THR A 132 20.798 -0.515 -8.588 1.00 41.25 O ATOM 1920 CB THR A 132 23.311 -0.782 -6.875 1.00 21.44 C ATOM 1921 OG1 THR A 132 23.501 -2.184 -6.814 1.00 12.01 O ATOM 1922 CG2 THR A 132 24.401 -0.105 -6.038 1.00 63.43 C ATOM 0 H THR A 132 21.470 -1.965 -5.134 1.00 5.43 H new ATOM 0 HA THR A 132 21.830 0.673 -6.456 1.00 65.41 H new ATOM 0 HB THR A 132 23.411 -0.416 -7.897 1.00 21.44 H new ATOM 0 HG1 THR A 132 24.416 -2.402 -7.090 1.00 12.01 H new ATOM 0 HG21 THR A 132 25.382 -0.413 -6.400 1.00 63.43 H new ATOM 0 HG22 THR A 132 24.306 0.977 -6.123 1.00 63.43 H new ATOM 0 HG23 THR A 132 24.292 -0.397 -4.994 1.00 63.43 H new TER 1930 THR A 132