USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 970 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: 1 87 ASN : amide:sc= -5.2! C(o=-6.5!,f=-11!) USER MOD Set 1.2: 1 110 THR OG1 : rot 169:sc= -1.27! USER MOD Set 2.1: 1 89 LYS NZ :NH3+ -175:sc= -1.69 (180deg=-1.75) USER MOD Set 2.2: 1 109 THR OG1 : rot 180:sc= -0.0911 USER MOD Set 3.1: 1 49 THR OG1 : rot -159:sc= -2.66! USER MOD Set 3.2: 1 53 ASN : amide:sc= -6.22! C(o=-8.9!,f=-7!) USER MOD Single : 1 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 1 MET N :NH3+ 152:sc=0.000814 (180deg=0) USER MOD Single : 1 4 SER OG : rot 180:sc= 0.065 USER MOD Single : 1 5 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : 1 6 HIS : no HD1:sc= -0.441 X(o=-0.44,f=-0.64) USER MOD Single : 1 7 HIS : no HD1:sc= -0.407 X(o=-0.41,f=-0.69) USER MOD Single : 1 8 HIS : no HD1:sc= -0.533 K(o=-0.53,f=-1.5) USER MOD Single : 1 9 HIS : no HD1:sc= -0.467 K(o=-0.47,f=-2.3) USER MOD Single : 1 10 HIS : no HD1:sc= -0.497 K(o=-0.5,f=-1.6) USER MOD Single : 1 12 SER OG : rot 180:sc= 0 USER MOD Single : 1 15 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 16 THR OG1 : rot 180:sc= 0.0373 USER MOD Single : 1 18 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 19 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 20 ASN : amide:sc= -2.46 K(o=-2.5,f=-1.3) USER MOD Single : 1 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 24 TYR OH : rot 19:sc= -7.41! USER MOD Single : 1 25 LYS NZ :NH3+ 149:sc= 0.00309 (180deg=0) USER MOD Single : 1 30 GLN : amide:sc= -12.7! C(o=-13!,f=-6.4!) USER MOD Single : 1 31 LYS NZ :NH3+ -154:sc= 0.378 (180deg=-0.0711!) USER MOD Single : 1 33 ASN : amide:sc= -0.745 K(o=-0.74,f=-0.0063) USER MOD Single : 1 37 GLN : amide:sc= -8.35! C(o=-8.3!,f=-19!) USER MOD Single : 1 40 ASN : amide:sc= -6.87! C(o=-6.9!,f=-9.7!) USER MOD Single : 1 41 ASN : amide:sc= -16.1! C(o=-16!,f=-7.6!) USER MOD Single : 1 46 THR OG1 : rot -83:sc= 0.0864 USER MOD Single : 1 64 THR OG1 : rot 180:sc= -2.43! USER MOD Single : 1 65 SER OG : rot 180:sc= 0.0234 USER MOD Single : 1 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 68 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 70 THR OG1 : rot -61:sc= 0.375 USER MOD Single : 1 71 SER OG : rot 180:sc= 0.0365 USER MOD Single : 1 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 76 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : 1 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 80 TYR OH : rot 180:sc= 0 USER MOD Single : 1 84 ASN : amide:sc= -5.57! C(o=-5.6!,f=-8.5!) USER MOD Single : 1 86 ASN : amide:sc= -0.0293 X(o=-0.029,f=0) USER MOD Single : 1 90 SER OG : rot 180:sc=-0.00557 USER MOD Single : 1 93 THR OG1 : rot 180:sc= 0.102 USER MOD Single : 1 95 MET CE :methyl 156:sc= -1.67 (180deg=-3.9!) USER MOD Single : 1 96 LYS NZ :NH3+ -165:sc= -0.0106 (180deg=-0.14) USER MOD Single : 1 98 SER OG : rot -76:sc= 0.26 USER MOD Single : 1 102 SER OG : rot 180:sc= 0 USER MOD Single : 1 105 GLN : amide:sc= -3.3! C(o=-3.3!,f=-3.3!) USER MOD Single : 1 107 ASN : amide:sc= -0.0636 X(o=-0.064,f=0) USER MOD Single : 1 113 ASN : amide:sc= -2.14! X(o=-2.1!,f=-1.9) USER MOD Single : 1 117 ASN : amide:sc= -15.1! C(o=-15!,f=-21!) USER MOD Single : 1 118 THR OG1 : rot -47:sc= 0.379 USER MOD Single : 1 119 THR OG1 : rot -44:sc= 0.482 USER MOD Single : 1 120 SER OG : rot 52:sc= 0.703 USER MOD Single : 1 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 123 ASN : amide:sc= -20.2! C(o=-20!,f=-18!) USER MOD Single : 1 126 TYR OH : rot -157:sc= 0.653 USER MOD Single : 1 128 LYS NZ :NH3+ -177:sc= -1.2 (180deg=-1.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET 1 1 44.510 18.134 -4.672 1.00 0.00 N ATOM 2 CA MET 1 1 44.685 17.394 -5.949 1.00 0.00 C ATOM 3 C MET 1 1 45.761 18.040 -6.817 1.00 0.00 C ATOM 4 O MET 1 1 45.820 19.264 -6.938 1.00 0.00 O ATOM 5 CB MET 1 1 43.348 17.381 -6.693 1.00 0.00 C ATOM 6 CG MET 1 1 42.351 16.379 -6.134 1.00 0.00 C ATOM 7 SD MET 1 1 40.953 16.101 -7.239 1.00 0.00 S ATOM 8 CE MET 1 1 39.769 17.281 -6.595 1.00 0.00 C ATOM 0 H1 MET 1 1 43.535 18.013 -4.331 1.00 0.00 H new ATOM 0 H2 MET 1 1 45.173 17.763 -3.962 1.00 0.00 H new ATOM 0 H3 MET 1 1 44.699 19.145 -4.828 1.00 0.00 H new ATOM 0 HA MET 1 1 45.005 16.375 -5.730 1.00 0.00 H new ATOM 0 HB2 MET 1 1 42.910 18.378 -6.653 1.00 0.00 H new ATOM 0 HB3 MET 1 1 43.528 17.154 -7.744 1.00 0.00 H new ATOM 0 HG2 MET 1 1 42.858 15.432 -5.950 1.00 0.00 H new ATOM 0 HG3 MET 1 1 41.983 16.736 -5.172 1.00 0.00 H new ATOM 0 HE1 MET 1 1 38.849 17.228 -7.177 1.00 0.00 H new ATOM 0 HE2 MET 1 1 39.553 17.047 -5.553 1.00 0.00 H new ATOM 0 HE3 MET 1 1 40.184 18.287 -6.663 1.00 0.00 H new ATOM 20 N ARG 1 2 46.608 17.212 -7.418 1.00 0.00 N ATOM 21 CA ARG 1 2 47.679 17.706 -8.275 1.00 0.00 C ATOM 22 C ARG 1 2 47.271 17.631 -9.743 1.00 0.00 C ATOM 23 O ARG 1 2 48.066 17.255 -10.605 1.00 0.00 O ATOM 24 CB ARG 1 2 48.962 16.901 -8.043 1.00 0.00 C ATOM 25 CG ARG 1 2 50.194 17.769 -7.844 1.00 0.00 C ATOM 26 CD ARG 1 2 50.835 17.534 -6.486 1.00 0.00 C ATOM 27 NE ARG 1 2 49.888 17.741 -5.391 1.00 0.00 N ATOM 28 CZ ARG 1 2 50.141 18.483 -4.311 1.00 0.00 C ATOM 29 NH1 ARG 1 2 51.312 19.092 -4.165 1.00 0.00 N ATOM 30 NH2 ARG 1 2 49.216 18.615 -3.371 1.00 0.00 N ATOM 0 H ARG 1 2 46.574 16.197 -7.328 1.00 0.00 H new ATOM 0 HA ARG 1 2 47.867 18.749 -8.020 1.00 0.00 H new ATOM 0 HB2 ARG 1 2 48.830 16.266 -7.167 1.00 0.00 H new ATOM 0 HB3 ARG 1 2 49.126 16.240 -8.894 1.00 0.00 H new ATOM 0 HG2 ARG 1 2 50.919 17.557 -8.630 1.00 0.00 H new ATOM 0 HG3 ARG 1 2 49.918 18.819 -7.939 1.00 0.00 H new ATOM 0 HD2 ARG 1 2 51.226 16.517 -6.440 1.00 0.00 H new ATOM 0 HD3 ARG 1 2 51.683 18.207 -6.364 1.00 0.00 H new ATOM 0 HE ARG 1 2 48.976 17.289 -5.457 1.00 0.00 H new ATOM 0 HH11 ARG 1 2 52.030 18.995 -4.883 1.00 0.00 H new ATOM 0 HH12 ARG 1 2 51.493 19.656 -3.335 1.00 0.00 H new ATOM 0 HH21 ARG 1 2 48.314 18.150 -3.474 1.00 0.00 H new ATOM 0 HH22 ARG 1 2 49.406 19.181 -2.544 1.00 0.00 H new ATOM 44 N GLY 1 3 46.022 17.993 -10.018 1.00 0.00 N ATOM 45 CA GLY 1 3 45.518 17.963 -11.379 1.00 0.00 C ATOM 46 C GLY 1 3 44.014 18.135 -11.437 1.00 0.00 C ATOM 47 O GLY 1 3 43.302 17.271 -11.951 1.00 0.00 O ATOM 0 H GLY 1 3 45.348 18.308 -9.320 1.00 0.00 H new ATOM 0 HA2 GLY 1 3 45.995 18.753 -11.959 1.00 0.00 H new ATOM 0 HA3 GLY 1 3 45.792 17.017 -11.845 1.00 0.00 H new ATOM 51 N SER 1 4 43.529 19.249 -10.900 1.00 0.00 N ATOM 52 CA SER 1 4 42.100 19.534 -10.886 1.00 0.00 C ATOM 53 C SER 1 4 41.562 19.726 -12.301 1.00 0.00 C ATOM 54 O SER 1 4 42.166 20.422 -13.117 1.00 0.00 O ATOM 55 CB SER 1 4 41.816 20.783 -10.050 1.00 0.00 C ATOM 56 OG SER 1 4 42.882 21.713 -10.146 1.00 0.00 O ATOM 0 H SER 1 4 44.106 19.970 -10.468 1.00 0.00 H new ATOM 0 HA SER 1 4 41.593 18.679 -10.439 1.00 0.00 H new ATOM 0 HB2 SER 1 4 40.891 21.249 -10.389 1.00 0.00 H new ATOM 0 HB3 SER 1 4 41.668 20.501 -9.008 1.00 0.00 H new ATOM 0 HG SER 1 4 42.676 22.503 -9.605 1.00 0.00 H new ATOM 62 N HIS 1 5 40.422 19.104 -12.580 1.00 0.00 N ATOM 63 CA HIS 1 5 39.796 19.205 -13.893 1.00 0.00 C ATOM 64 C HIS 1 5 38.536 20.061 -13.823 1.00 0.00 C ATOM 65 O HIS 1 5 37.543 19.673 -13.206 1.00 0.00 O ATOM 66 CB HIS 1 5 39.453 17.813 -14.425 1.00 0.00 C ATOM 67 CG HIS 1 5 40.636 16.902 -14.524 1.00 0.00 C ATOM 68 ND1 HIS 1 5 41.832 17.280 -15.097 1.00 0.00 N ATOM 69 CD2 HIS 1 5 40.803 15.620 -14.120 1.00 0.00 C ATOM 70 CE1 HIS 1 5 42.683 16.270 -15.043 1.00 0.00 C ATOM 71 NE2 HIS 1 5 42.084 15.252 -14.454 1.00 0.00 N ATOM 0 H HIS 1 5 39.912 18.524 -11.914 1.00 0.00 H new ATOM 0 HA HIS 1 5 40.502 19.680 -14.573 1.00 0.00 H new ATOM 0 HB2 HIS 1 5 38.708 17.357 -13.773 1.00 0.00 H new ATOM 0 HB3 HIS 1 5 38.997 17.912 -15.410 1.00 0.00 H new ATOM 0 HD2 HIS 1 5 40.067 15.002 -13.627 1.00 0.00 H new ATOM 0 HE1 HIS 1 5 43.696 16.277 -15.417 1.00 0.00 H new ATOM 0 HE2 HIS 1 5 42.504 14.340 -14.276 1.00 0.00 H new ATOM 80 N HIS 1 6 38.582 21.227 -14.456 1.00 0.00 N ATOM 81 CA HIS 1 6 37.444 22.139 -14.460 1.00 0.00 C ATOM 82 C HIS 1 6 36.703 22.087 -15.792 1.00 0.00 C ATOM 83 O HIS 1 6 36.980 22.870 -16.700 1.00 0.00 O ATOM 84 CB HIS 1 6 37.911 23.568 -14.178 1.00 0.00 C ATOM 85 CG HIS 1 6 38.295 23.799 -12.751 1.00 0.00 C ATOM 86 ND1 HIS 1 6 39.077 22.921 -12.030 1.00 0.00 N ATOM 87 CD2 HIS 1 6 38.002 24.817 -11.906 1.00 0.00 C ATOM 88 CE1 HIS 1 6 39.246 23.386 -10.805 1.00 0.00 C ATOM 89 NE2 HIS 1 6 38.604 24.536 -10.705 1.00 0.00 N ATOM 0 H HIS 1 6 39.394 21.563 -14.973 1.00 0.00 H new ATOM 0 HA HIS 1 6 36.757 21.824 -13.674 1.00 0.00 H new ATOM 0 HB2 HIS 1 6 38.764 23.796 -14.817 1.00 0.00 H new ATOM 0 HB3 HIS 1 6 37.115 24.262 -14.449 1.00 0.00 H new ATOM 0 HD2 HIS 1 6 37.406 25.688 -12.135 1.00 0.00 H new ATOM 0 HE1 HIS 1 6 39.812 22.908 -10.020 1.00 0.00 H new ATOM 0 HE2 HIS 1 6 38.562 25.121 -9.870 1.00 0.00 H new ATOM 98 N HIS 1 7 35.755 21.161 -15.898 1.00 0.00 N ATOM 99 CA HIS 1 7 34.967 21.008 -17.116 1.00 0.00 C ATOM 100 C HIS 1 7 33.508 20.717 -16.780 1.00 0.00 C ATOM 101 O HIS 1 7 33.153 19.589 -16.439 1.00 0.00 O ATOM 102 CB HIS 1 7 35.542 19.885 -17.983 1.00 0.00 C ATOM 103 CG HIS 1 7 35.863 20.308 -19.384 1.00 0.00 C ATOM 104 ND1 HIS 1 7 35.353 21.451 -19.966 1.00 0.00 N ATOM 105 CD2 HIS 1 7 36.651 19.731 -20.323 1.00 0.00 C ATOM 106 CE1 HIS 1 7 35.812 21.557 -21.200 1.00 0.00 C ATOM 107 NE2 HIS 1 7 36.602 20.528 -21.441 1.00 0.00 N ATOM 0 H HIS 1 7 35.514 20.505 -15.155 1.00 0.00 H new ATOM 0 HA HIS 1 7 35.014 21.943 -17.674 1.00 0.00 H new ATOM 0 HB2 HIS 1 7 36.448 19.502 -17.512 1.00 0.00 H new ATOM 0 HB3 HIS 1 7 34.828 19.062 -18.016 1.00 0.00 H new ATOM 0 HD2 HIS 1 7 37.213 18.815 -20.213 1.00 0.00 H new ATOM 0 HE1 HIS 1 7 35.580 22.351 -21.894 1.00 0.00 H new ATOM 0 HE2 HIS 1 7 37.096 20.353 -22.316 1.00 0.00 H new ATOM 116 N HIS 1 8 32.667 21.741 -16.878 1.00 0.00 N ATOM 117 CA HIS 1 8 31.247 21.592 -16.583 1.00 0.00 C ATOM 118 C HIS 1 8 30.471 21.197 -17.836 1.00 0.00 C ATOM 119 O HIS 1 8 30.206 22.029 -18.705 1.00 0.00 O ATOM 120 CB HIS 1 8 30.686 22.892 -16.003 1.00 0.00 C ATOM 121 CG HIS 1 8 31.445 23.390 -14.812 1.00 0.00 C ATOM 122 ND1 HIS 1 8 32.509 22.709 -14.257 1.00 0.00 N ATOM 123 CD2 HIS 1 8 31.289 24.511 -14.067 1.00 0.00 C ATOM 124 CE1 HIS 1 8 32.974 23.390 -13.224 1.00 0.00 C ATOM 125 NE2 HIS 1 8 32.253 24.486 -13.089 1.00 0.00 N ATOM 0 H HIS 1 8 32.944 22.682 -17.159 1.00 0.00 H new ATOM 0 HA HIS 1 8 31.134 20.798 -15.845 1.00 0.00 H new ATOM 0 HB2 HIS 1 8 30.695 23.660 -16.777 1.00 0.00 H new ATOM 0 HB3 HIS 1 8 29.645 22.736 -15.721 1.00 0.00 H new ATOM 0 HD2 HIS 1 8 30.546 25.280 -14.215 1.00 0.00 H new ATOM 0 HE1 HIS 1 8 33.804 23.098 -12.597 1.00 0.00 H new ATOM 0 HE2 HIS 1 8 32.389 25.200 -12.374 1.00 0.00 H new ATOM 134 N HIS 1 9 30.118 19.920 -17.922 1.00 0.00 N ATOM 135 CA HIS 1 9 29.378 19.403 -19.071 1.00 0.00 C ATOM 136 C HIS 1 9 28.434 18.269 -18.668 1.00 0.00 C ATOM 137 O HIS 1 9 27.450 17.996 -19.356 1.00 0.00 O ATOM 138 CB HIS 1 9 30.350 18.914 -20.147 1.00 0.00 C ATOM 139 CG HIS 1 9 31.207 17.768 -19.708 1.00 0.00 C ATOM 140 ND1 HIS 1 9 31.928 17.771 -18.531 1.00 0.00 N ATOM 141 CD2 HIS 1 9 31.457 16.574 -20.295 1.00 0.00 C ATOM 142 CE1 HIS 1 9 32.583 16.629 -18.415 1.00 0.00 C ATOM 143 NE2 HIS 1 9 32.314 15.885 -19.472 1.00 0.00 N ATOM 0 H HIS 1 9 30.332 19.221 -17.210 1.00 0.00 H new ATOM 0 HA HIS 1 9 28.774 20.218 -19.470 1.00 0.00 H new ATOM 0 HB2 HIS 1 9 29.782 18.615 -21.028 1.00 0.00 H new ATOM 0 HB3 HIS 1 9 30.992 19.742 -20.447 1.00 0.00 H new ATOM 0 HD2 HIS 1 9 31.057 16.227 -21.236 1.00 0.00 H new ATOM 0 HE1 HIS 1 9 33.229 16.352 -17.595 1.00 0.00 H new ATOM 0 HE2 HIS 1 9 32.683 14.951 -19.649 1.00 0.00 H new ATOM 152 N HIS 1 10 28.741 17.601 -17.558 1.00 0.00 N ATOM 153 CA HIS 1 10 27.917 16.503 -17.065 1.00 0.00 C ATOM 154 C HIS 1 10 28.394 16.065 -15.679 1.00 0.00 C ATOM 155 O HIS 1 10 29.034 16.839 -14.968 1.00 0.00 O ATOM 156 CB HIS 1 10 27.950 15.324 -18.043 1.00 0.00 C ATOM 157 CG HIS 1 10 26.654 14.575 -18.121 1.00 0.00 C ATOM 158 ND1 HIS 1 10 25.651 14.708 -17.184 1.00 0.00 N ATOM 159 CD2 HIS 1 10 26.196 13.687 -19.034 1.00 0.00 C ATOM 160 CE1 HIS 1 10 24.634 13.936 -17.518 1.00 0.00 C ATOM 161 NE2 HIS 1 10 24.938 13.306 -18.637 1.00 0.00 N ATOM 0 H HIS 1 10 29.558 17.803 -16.982 1.00 0.00 H new ATOM 0 HA HIS 1 10 26.887 16.850 -16.984 1.00 0.00 H new ATOM 0 HB2 HIS 1 10 28.208 15.693 -19.036 1.00 0.00 H new ATOM 0 HB3 HIS 1 10 28.741 14.636 -17.744 1.00 0.00 H new ATOM 0 HD2 HIS 1 10 26.722 13.342 -19.912 1.00 0.00 H new ATOM 0 HE1 HIS 1 10 23.710 13.837 -16.969 1.00 0.00 H new ATOM 0 HE2 HIS 1 10 24.336 12.644 -19.127 1.00 0.00 H new ATOM 170 N GLY 1 11 28.066 14.836 -15.288 1.00 0.00 N ATOM 171 CA GLY 1 11 28.466 14.350 -13.981 1.00 0.00 C ATOM 172 C GLY 1 11 29.441 13.190 -14.049 1.00 0.00 C ATOM 173 O GLY 1 11 29.222 12.225 -14.782 1.00 0.00 O ATOM 0 H GLY 1 11 27.533 14.172 -15.850 1.00 0.00 H new ATOM 0 HA2 GLY 1 11 28.921 15.166 -13.420 1.00 0.00 H new ATOM 0 HA3 GLY 1 11 27.579 14.039 -13.429 1.00 0.00 H new ATOM 177 N SER 1 12 30.515 13.284 -13.271 1.00 0.00 N ATOM 178 CA SER 1 12 31.528 12.235 -13.223 1.00 0.00 C ATOM 179 C SER 1 12 31.397 11.419 -11.938 1.00 0.00 C ATOM 180 O SER 1 12 31.949 10.324 -11.825 1.00 0.00 O ATOM 181 CB SER 1 12 32.930 12.845 -13.317 1.00 0.00 C ATOM 182 OG SER 1 12 33.624 12.358 -14.453 1.00 0.00 O ATOM 0 H SER 1 12 30.707 14.080 -12.662 1.00 0.00 H new ATOM 0 HA SER 1 12 31.374 11.571 -14.074 1.00 0.00 H new ATOM 0 HB2 SER 1 12 32.854 13.931 -13.371 1.00 0.00 H new ATOM 0 HB3 SER 1 12 33.494 12.609 -12.414 1.00 0.00 H new ATOM 0 HG SER 1 12 34.515 12.764 -14.491 1.00 0.00 H new ATOM 188 N GLU 1 13 30.658 11.962 -10.973 1.00 0.00 N ATOM 189 CA GLU 1 13 30.444 11.293 -9.696 1.00 0.00 C ATOM 190 C GLU 1 13 29.352 10.233 -9.822 1.00 0.00 C ATOM 191 O GLU 1 13 28.599 10.225 -10.796 1.00 0.00 O ATOM 192 CB GLU 1 13 30.058 12.326 -8.633 1.00 0.00 C ATOM 193 CG GLU 1 13 31.192 13.268 -8.261 1.00 0.00 C ATOM 194 CD GLU 1 13 30.698 14.556 -7.632 1.00 0.00 C ATOM 195 OE1 GLU 1 13 30.227 15.440 -8.379 1.00 0.00 O ATOM 196 OE2 GLU 1 13 30.783 14.683 -6.392 1.00 0.00 O ATOM 0 H GLU 1 13 30.196 12.868 -11.054 1.00 0.00 H new ATOM 0 HA GLU 1 13 31.368 10.798 -9.398 1.00 0.00 H new ATOM 0 HB2 GLU 1 13 29.214 12.912 -8.997 1.00 0.00 H new ATOM 0 HB3 GLU 1 13 29.721 11.805 -7.737 1.00 0.00 H new ATOM 0 HG2 GLU 1 13 31.865 12.764 -7.567 1.00 0.00 H new ATOM 0 HG3 GLU 1 13 31.772 13.503 -9.154 1.00 0.00 H new ATOM 203 N PRO 1 14 29.249 9.316 -8.842 1.00 0.00 N ATOM 204 CA PRO 1 14 28.240 8.253 -8.861 1.00 0.00 C ATOM 205 C PRO 1 14 26.822 8.796 -9.037 1.00 0.00 C ATOM 206 O PRO 1 14 26.283 8.787 -10.145 1.00 0.00 O ATOM 207 CB PRO 1 14 28.401 7.564 -7.499 1.00 0.00 C ATOM 208 CG PRO 1 14 29.216 8.504 -6.674 1.00 0.00 C ATOM 209 CD PRO 1 14 30.098 9.232 -7.644 1.00 0.00 C ATOM 0 HA PRO 1 14 28.384 7.576 -9.703 1.00 0.00 H new ATOM 0 HB2 PRO 1 14 27.432 7.375 -7.037 1.00 0.00 H new ATOM 0 HB3 PRO 1 14 28.898 6.600 -7.603 1.00 0.00 H new ATOM 0 HG2 PRO 1 14 28.579 9.198 -6.127 1.00 0.00 H new ATOM 0 HG3 PRO 1 14 29.808 7.964 -5.935 1.00 0.00 H new ATOM 0 HD2 PRO 1 14 30.379 10.219 -7.276 1.00 0.00 H new ATOM 0 HD3 PRO 1 14 31.023 8.689 -7.839 1.00 0.00 H new ATOM 217 N THR 1 15 26.219 9.268 -7.948 1.00 0.00 N ATOM 218 CA THR 1 15 24.865 9.811 -8.002 1.00 0.00 C ATOM 219 C THR 1 15 23.901 8.820 -8.649 1.00 0.00 C ATOM 220 O THR 1 15 22.932 9.216 -9.299 1.00 0.00 O ATOM 221 CB THR 1 15 24.854 11.131 -8.776 1.00 0.00 C ATOM 222 OG1 THR 1 15 26.027 11.880 -8.510 1.00 0.00 O ATOM 223 CG2 THR 1 15 23.665 12.008 -8.446 1.00 0.00 C ATOM 0 H THR 1 15 26.645 9.285 -7.021 1.00 0.00 H new ATOM 0 HA THR 1 15 24.534 9.993 -6.979 1.00 0.00 H new ATOM 0 HB THR 1 15 24.797 10.848 -9.827 1.00 0.00 H new ATOM 0 HG1 THR 1 15 26.001 12.719 -9.016 1.00 0.00 H new ATOM 0 HG21 THR 1 15 23.718 12.928 -9.029 1.00 0.00 H new ATOM 0 HG22 THR 1 15 22.744 11.478 -8.688 1.00 0.00 H new ATOM 0 HG23 THR 1 15 23.676 12.251 -7.383 1.00 0.00 H new ATOM 231 N THR 1 16 24.181 7.532 -8.480 1.00 0.00 N ATOM 232 CA THR 1 16 23.342 6.487 -9.054 1.00 0.00 C ATOM 233 C THR 1 16 21.912 6.578 -8.523 1.00 0.00 C ATOM 234 O THR 1 16 21.693 6.602 -7.311 1.00 0.00 O ATOM 235 CB THR 1 16 23.928 5.108 -8.742 1.00 0.00 C ATOM 236 OG1 THR 1 16 25.344 5.162 -8.709 1.00 0.00 O ATOM 237 CG2 THR 1 16 23.533 4.046 -9.745 1.00 0.00 C ATOM 0 H THR 1 16 24.982 7.187 -7.951 1.00 0.00 H new ATOM 0 HA THR 1 16 23.316 6.630 -10.134 1.00 0.00 H new ATOM 0 HB THR 1 16 23.519 4.834 -7.770 1.00 0.00 H new ATOM 0 HG1 THR 1 16 25.701 4.272 -8.507 1.00 0.00 H new ATOM 0 HG21 THR 1 16 23.983 3.094 -9.463 1.00 0.00 H new ATOM 0 HG22 THR 1 16 22.448 3.945 -9.759 1.00 0.00 H new ATOM 0 HG23 THR 1 16 23.883 4.333 -10.736 1.00 0.00 H new ATOM 245 N PRO 1 17 20.916 6.628 -9.426 1.00 0.00 N ATOM 246 CA PRO 1 17 19.505 6.718 -9.041 1.00 0.00 C ATOM 247 C PRO 1 17 18.938 5.376 -8.588 1.00 0.00 C ATOM 248 O PRO 1 17 19.222 4.338 -9.186 1.00 0.00 O ATOM 249 CB PRO 1 17 18.826 7.178 -10.330 1.00 0.00 C ATOM 250 CG PRO 1 17 19.671 6.612 -11.419 1.00 0.00 C ATOM 251 CD PRO 1 17 21.083 6.607 -10.895 1.00 0.00 C ATOM 0 HA PRO 1 17 19.351 7.387 -8.194 1.00 0.00 H new ATOM 0 HB2 PRO 1 17 17.801 6.812 -10.391 1.00 0.00 H new ATOM 0 HB3 PRO 1 17 18.780 8.265 -10.388 1.00 0.00 H new ATOM 0 HG2 PRO 1 17 19.348 5.604 -11.678 1.00 0.00 H new ATOM 0 HG3 PRO 1 17 19.594 7.214 -12.324 1.00 0.00 H new ATOM 0 HD2 PRO 1 17 21.628 5.722 -11.223 1.00 0.00 H new ATOM 0 HD3 PRO 1 17 21.643 7.474 -11.246 1.00 0.00 H new ATOM 259 N THR 1 18 18.132 5.407 -7.532 1.00 0.00 N ATOM 260 CA THR 1 18 17.518 4.194 -6.999 1.00 0.00 C ATOM 261 C THR 1 18 16.073 4.454 -6.585 1.00 0.00 C ATOM 262 O THR 1 18 15.524 3.749 -5.740 1.00 0.00 O ATOM 263 CB THR 1 18 18.316 3.672 -5.803 1.00 0.00 C ATOM 264 OG1 THR 1 18 18.359 4.638 -4.767 1.00 0.00 O ATOM 265 CG2 THR 1 18 19.743 3.303 -6.144 1.00 0.00 C ATOM 0 H THR 1 18 17.888 6.259 -7.027 1.00 0.00 H new ATOM 0 HA THR 1 18 17.524 3.440 -7.786 1.00 0.00 H new ATOM 0 HB THR 1 18 17.793 2.771 -5.483 1.00 0.00 H new ATOM 0 HG1 THR 1 18 18.872 4.284 -4.011 1.00 0.00 H new ATOM 0 HG21 THR 1 18 20.249 2.941 -5.249 1.00 0.00 H new ATOM 0 HG22 THR 1 18 19.745 2.521 -6.903 1.00 0.00 H new ATOM 0 HG23 THR 1 18 20.265 4.181 -6.526 1.00 0.00 H new ATOM 273 N THR 1 19 15.464 5.470 -7.187 1.00 0.00 N ATOM 274 CA THR 1 19 14.082 5.834 -6.883 1.00 0.00 C ATOM 275 C THR 1 19 13.100 4.817 -7.466 1.00 0.00 C ATOM 276 O THR 1 19 12.959 4.710 -8.683 1.00 0.00 O ATOM 277 CB THR 1 19 13.774 7.227 -7.435 1.00 0.00 C ATOM 278 OG1 THR 1 19 12.385 7.493 -7.379 1.00 0.00 O ATOM 279 CG2 THR 1 19 14.220 7.415 -8.869 1.00 0.00 C ATOM 0 H THR 1 19 15.907 6.059 -7.892 1.00 0.00 H new ATOM 0 HA THR 1 19 13.965 5.838 -5.799 1.00 0.00 H new ATOM 0 HB THR 1 19 14.334 7.917 -6.804 1.00 0.00 H new ATOM 0 HG1 THR 1 19 12.209 8.389 -7.735 1.00 0.00 H new ATOM 0 HG21 THR 1 19 13.971 8.424 -9.198 1.00 0.00 H new ATOM 0 HG22 THR 1 19 15.298 7.266 -8.937 1.00 0.00 H new ATOM 0 HG23 THR 1 19 13.713 6.690 -9.506 1.00 0.00 H new ATOM 287 N ASN 1 20 12.417 4.079 -6.593 1.00 0.00 N ATOM 288 CA ASN 1 20 11.446 3.082 -7.031 1.00 0.00 C ATOM 289 C ASN 1 20 10.757 2.417 -5.842 1.00 0.00 C ATOM 290 O ASN 1 20 11.405 2.015 -4.876 1.00 0.00 O ATOM 291 CB ASN 1 20 12.123 2.022 -7.900 1.00 0.00 C ATOM 292 CG ASN 1 20 13.167 1.227 -7.142 1.00 0.00 C ATOM 293 OD1 ASN 1 20 12.923 0.093 -6.732 1.00 0.00 O ATOM 294 ND2 ASN 1 20 14.337 1.822 -6.953 1.00 0.00 N ATOM 0 H ASN 1 20 12.519 4.153 -5.581 1.00 0.00 H new ATOM 0 HA ASN 1 20 10.687 3.597 -7.621 1.00 0.00 H new ATOM 0 HB2 ASN 1 20 11.367 1.341 -8.292 1.00 0.00 H new ATOM 0 HB3 ASN 1 20 12.591 2.505 -8.757 1.00 0.00 H new ATOM 0 HD21 ASN 1 20 15.080 1.338 -6.449 1.00 0.00 H new ATOM 0 HD22 ASN 1 20 14.494 2.764 -7.311 1.00 0.00 H new ATOM 301 N LEU 1 21 9.437 2.303 -5.930 1.00 0.00 N ATOM 302 CA LEU 1 21 8.635 1.687 -4.879 1.00 0.00 C ATOM 303 C LEU 1 21 8.976 0.208 -4.738 1.00 0.00 C ATOM 304 O LEU 1 21 8.313 -0.650 -5.320 1.00 0.00 O ATOM 305 CB LEU 1 21 7.143 1.845 -5.188 1.00 0.00 C ATOM 306 CG LEU 1 21 6.740 3.173 -5.834 1.00 0.00 C ATOM 307 CD1 LEU 1 21 5.660 2.954 -6.882 1.00 0.00 C ATOM 308 CD2 LEU 1 21 6.268 4.154 -4.776 1.00 0.00 C ATOM 0 H LEU 1 21 8.894 2.633 -6.728 1.00 0.00 H new ATOM 0 HA LEU 1 21 8.862 2.191 -3.939 1.00 0.00 H new ATOM 0 HB2 LEU 1 21 6.839 1.033 -5.848 1.00 0.00 H new ATOM 0 HB3 LEU 1 21 6.583 1.728 -4.260 1.00 0.00 H new ATOM 0 HG LEU 1 21 7.614 3.594 -6.330 1.00 0.00 H new ATOM 0 HD11 LEU 1 21 5.388 3.910 -7.329 1.00 0.00 H new ATOM 0 HD12 LEU 1 21 6.035 2.285 -7.656 1.00 0.00 H new ATOM 0 HD13 LEU 1 21 4.782 2.510 -6.413 1.00 0.00 H new ATOM 0 HD21 LEU 1 21 5.985 5.093 -5.251 1.00 0.00 H new ATOM 0 HD22 LEU 1 21 5.407 3.738 -4.253 1.00 0.00 H new ATOM 0 HD23 LEU 1 21 7.073 4.336 -4.064 1.00 0.00 H new ATOM 320 N LYS 1 22 10.013 -0.083 -3.961 1.00 0.00 N ATOM 321 CA LYS 1 22 10.446 -1.457 -3.743 1.00 0.00 C ATOM 322 C LYS 1 22 9.268 -2.374 -3.408 1.00 0.00 C ATOM 323 O LYS 1 22 8.161 -1.913 -3.125 1.00 0.00 O ATOM 324 CB LYS 1 22 11.503 -1.511 -2.647 1.00 0.00 C ATOM 325 CG LYS 1 22 12.878 -1.926 -3.150 1.00 0.00 C ATOM 326 CD LYS 1 22 13.825 -0.739 -3.231 1.00 0.00 C ATOM 327 CE LYS 1 22 14.956 -0.989 -4.217 1.00 0.00 C ATOM 328 NZ LYS 1 22 16.258 -1.204 -3.527 1.00 0.00 N ATOM 0 H LYS 1 22 10.570 0.617 -3.471 1.00 0.00 H new ATOM 0 HA LYS 1 22 10.886 -1.820 -4.672 1.00 0.00 H new ATOM 0 HB2 LYS 1 22 11.578 -0.531 -2.176 1.00 0.00 H new ATOM 0 HB3 LYS 1 22 11.180 -2.211 -1.876 1.00 0.00 H new ATOM 0 HG2 LYS 1 22 13.297 -2.682 -2.485 1.00 0.00 H new ATOM 0 HG3 LYS 1 22 12.783 -2.385 -4.134 1.00 0.00 H new ATOM 0 HD2 LYS 1 22 13.270 0.150 -3.531 1.00 0.00 H new ATOM 0 HD3 LYS 1 22 14.241 -0.537 -2.244 1.00 0.00 H new ATOM 0 HE2 LYS 1 22 14.720 -1.861 -4.826 1.00 0.00 H new ATOM 0 HE3 LYS 1 22 15.041 -0.140 -4.895 1.00 0.00 H new ATOM 0 HZ1 LYS 1 22 17.002 -1.371 -4.234 1.00 0.00 H new ATOM 0 HZ2 LYS 1 22 16.497 -0.362 -2.965 1.00 0.00 H new ATOM 0 HZ3 LYS 1 22 16.186 -2.030 -2.899 1.00 0.00 H new ATOM 342 N ILE 1 23 9.512 -3.675 -3.499 1.00 0.00 N ATOM 343 CA ILE 1 23 8.500 -4.691 -3.275 1.00 0.00 C ATOM 344 C ILE 1 23 8.080 -4.879 -1.817 1.00 0.00 C ATOM 345 O ILE 1 23 8.835 -4.618 -0.880 1.00 0.00 O ATOM 346 CB ILE 1 23 9.013 -6.033 -3.840 1.00 0.00 C ATOM 347 CG1 ILE 1 23 8.182 -6.416 -5.049 1.00 0.00 C ATOM 348 CG2 ILE 1 23 9.011 -7.146 -2.798 1.00 0.00 C ATOM 349 CD1 ILE 1 23 9.023 -6.752 -6.258 1.00 0.00 C ATOM 0 H ILE 1 23 10.429 -4.055 -3.733 1.00 0.00 H new ATOM 0 HA ILE 1 23 7.604 -4.344 -3.789 1.00 0.00 H new ATOM 0 HB ILE 1 23 10.053 -5.899 -4.137 1.00 0.00 H new ATOM 0 HG12 ILE 1 23 7.558 -7.273 -4.798 1.00 0.00 H new ATOM 0 HG13 ILE 1 23 7.510 -5.594 -5.297 1.00 0.00 H new ATOM 0 HG21 ILE 1 23 9.381 -8.067 -3.249 1.00 0.00 H new ATOM 0 HG22 ILE 1 23 9.655 -6.866 -1.965 1.00 0.00 H new ATOM 0 HG23 ILE 1 23 7.995 -7.302 -2.435 1.00 0.00 H new ATOM 0 HD11 ILE 1 23 8.372 -7.018 -7.091 1.00 0.00 H new ATOM 0 HD12 ILE 1 23 9.628 -5.888 -6.532 1.00 0.00 H new ATOM 0 HD13 ILE 1 23 9.676 -7.593 -6.025 1.00 0.00 H new ATOM 361 N TYR 1 24 6.859 -5.398 -1.677 1.00 0.00 N ATOM 362 CA TYR 1 24 6.238 -5.723 -0.413 1.00 0.00 C ATOM 363 C TYR 1 24 6.205 -7.238 -0.315 1.00 0.00 C ATOM 364 O TYR 1 24 6.450 -7.917 -1.307 1.00 0.00 O ATOM 365 CB TYR 1 24 4.800 -5.244 -0.400 1.00 0.00 C ATOM 366 CG TYR 1 24 4.524 -3.913 0.249 1.00 0.00 C ATOM 367 CD1 TYR 1 24 4.911 -2.720 -0.341 1.00 0.00 C ATOM 368 CD2 TYR 1 24 3.830 -3.857 1.443 1.00 0.00 C ATOM 369 CE1 TYR 1 24 4.613 -1.510 0.250 1.00 0.00 C ATOM 370 CE2 TYR 1 24 3.534 -2.659 2.044 1.00 0.00 C ATOM 371 CZ TYR 1 24 3.924 -1.488 1.445 1.00 0.00 C ATOM 372 OH TYR 1 24 3.608 -0.292 2.034 1.00 0.00 O ATOM 0 H TYR 1 24 6.262 -5.607 -2.477 1.00 0.00 H new ATOM 0 HA TYR 1 24 6.789 -5.257 0.404 1.00 0.00 H new ATOM 0 HB2 TYR 1 24 4.451 -5.196 -1.431 1.00 0.00 H new ATOM 0 HB3 TYR 1 24 4.197 -5.998 0.106 1.00 0.00 H new ATOM 0 HD1 TYR 1 24 5.453 -2.738 -1.275 1.00 0.00 H new ATOM 0 HD2 TYR 1 24 3.514 -4.776 1.913 1.00 0.00 H new ATOM 0 HE1 TYR 1 24 4.917 -0.586 -0.219 1.00 0.00 H new ATOM 0 HE2 TYR 1 24 2.998 -2.638 2.981 1.00 0.00 H new ATOM 0 HH TYR 1 24 3.661 0.425 1.368 1.00 0.00 H new ATOM 382 N LYS 1 25 5.869 -7.779 0.837 1.00 0.00 N ATOM 383 CA LYS 1 25 5.781 -9.227 0.965 1.00 0.00 C ATOM 384 C LYS 1 25 4.359 -9.664 1.289 1.00 0.00 C ATOM 385 O LYS 1 25 3.875 -9.467 2.393 1.00 0.00 O ATOM 386 CB LYS 1 25 6.730 -9.733 2.031 1.00 0.00 C ATOM 387 CG LYS 1 25 8.187 -9.760 1.594 1.00 0.00 C ATOM 388 CD LYS 1 25 8.453 -10.880 0.603 1.00 0.00 C ATOM 389 CE LYS 1 25 8.555 -12.228 1.298 1.00 0.00 C ATOM 390 NZ LYS 1 25 8.129 -13.346 0.410 1.00 0.00 N ATOM 0 H LYS 1 25 5.655 -7.255 1.685 1.00 0.00 H new ATOM 0 HA LYS 1 25 6.067 -9.659 0.006 1.00 0.00 H new ATOM 0 HB2 LYS 1 25 6.637 -9.103 2.915 1.00 0.00 H new ATOM 0 HB3 LYS 1 25 6.430 -10.739 2.324 1.00 0.00 H new ATOM 0 HG2 LYS 1 25 8.450 -8.804 1.142 1.00 0.00 H new ATOM 0 HG3 LYS 1 25 8.827 -9.886 2.467 1.00 0.00 H new ATOM 0 HD2 LYS 1 25 7.653 -10.911 -0.136 1.00 0.00 H new ATOM 0 HD3 LYS 1 25 9.378 -10.677 0.063 1.00 0.00 H new ATOM 0 HE2 LYS 1 25 9.583 -12.393 1.621 1.00 0.00 H new ATOM 0 HE3 LYS 1 25 7.936 -12.221 2.195 1.00 0.00 H new ATOM 0 HZ1 LYS 1 25 8.662 -14.205 0.654 1.00 0.00 H new ATOM 0 HZ2 LYS 1 25 7.112 -13.522 0.537 1.00 0.00 H new ATOM 0 HZ3 LYS 1 25 8.316 -13.092 -0.581 1.00 0.00 H new ATOM 404 N VAL 1 26 3.685 -10.274 0.338 1.00 0.00 N ATOM 405 CA VAL 1 26 2.336 -10.722 0.583 1.00 0.00 C ATOM 406 C VAL 1 26 2.357 -12.005 1.373 1.00 0.00 C ATOM 407 O VAL 1 26 2.290 -13.106 0.829 1.00 0.00 O ATOM 408 CB VAL 1 26 1.505 -10.884 -0.686 1.00 0.00 C ATOM 409 CG1 VAL 1 26 0.201 -10.188 -0.473 1.00 0.00 C ATOM 410 CG2 VAL 1 26 2.211 -10.306 -1.884 1.00 0.00 C ATOM 0 H VAL 1 26 4.044 -10.468 -0.597 1.00 0.00 H new ATOM 0 HA VAL 1 26 1.846 -9.938 1.161 1.00 0.00 H new ATOM 0 HB VAL 1 26 1.349 -11.944 -0.884 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 -0.415 -10.288 -1.367 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 -0.316 -10.636 0.376 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 0.381 -9.132 -0.272 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 1.591 -10.439 -2.771 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 2.391 -9.243 -1.723 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 3.163 -10.817 -2.027 1.00 0.00 H new ATOM 420 N ASP 1 27 2.496 -11.812 2.666 1.00 0.00 N ATOM 421 CA ASP 1 27 2.576 -12.904 3.634 1.00 0.00 C ATOM 422 C ASP 1 27 1.205 -13.413 4.042 1.00 0.00 C ATOM 423 O ASP 1 27 1.059 -14.575 4.422 1.00 0.00 O ATOM 424 CB ASP 1 27 3.395 -12.470 4.857 1.00 0.00 C ATOM 425 CG ASP 1 27 4.870 -12.392 4.527 1.00 0.00 C ATOM 426 OD1 ASP 1 27 5.569 -13.415 4.679 1.00 0.00 O ATOM 427 OD2 ASP 1 27 5.326 -11.306 4.112 1.00 0.00 O ATOM 0 H ASP 1 27 2.558 -10.885 3.088 1.00 0.00 H new ATOM 0 HA ASP 1 27 3.085 -13.738 3.150 1.00 0.00 H new ATOM 0 HB2 ASP 1 27 3.046 -11.498 5.206 1.00 0.00 H new ATOM 0 HB3 ASP 1 27 3.239 -13.176 5.672 1.00 0.00 H new ATOM 432 N ASP 1 28 0.200 -12.552 3.975 1.00 0.00 N ATOM 433 CA ASP 1 28 -1.146 -12.962 4.356 1.00 0.00 C ATOM 434 C ASP 1 28 -2.185 -11.879 4.089 1.00 0.00 C ATOM 435 O ASP 1 28 -2.132 -10.794 4.664 1.00 0.00 O ATOM 436 CB ASP 1 28 -1.169 -13.337 5.837 1.00 0.00 C ATOM 437 CG ASP 1 28 -2.300 -14.288 6.175 1.00 0.00 C ATOM 438 OD1 ASP 1 28 -2.692 -15.081 5.294 1.00 0.00 O ATOM 439 OD2 ASP 1 28 -2.794 -14.238 7.321 1.00 0.00 O ATOM 0 H ASP 1 28 0.286 -11.583 3.667 1.00 0.00 H new ATOM 0 HA ASP 1 28 -1.408 -13.823 3.741 1.00 0.00 H new ATOM 0 HB2 ASP 1 28 -0.218 -13.797 6.107 1.00 0.00 H new ATOM 0 HB3 ASP 1 28 -1.267 -12.432 6.437 1.00 0.00 H new ATOM 444 N LEU 1 29 -3.154 -12.198 3.238 1.00 0.00 N ATOM 445 CA LEU 1 29 -4.223 -11.272 2.931 1.00 0.00 C ATOM 446 C LEU 1 29 -5.572 -11.967 2.996 1.00 0.00 C ATOM 447 O LEU 1 29 -5.725 -13.102 2.555 1.00 0.00 O ATOM 448 CB LEU 1 29 -4.016 -10.604 1.594 1.00 0.00 C ATOM 449 CG LEU 1 29 -5.227 -10.638 0.688 1.00 0.00 C ATOM 450 CD1 LEU 1 29 -5.370 -9.337 -0.053 1.00 0.00 C ATOM 451 CD2 LEU 1 29 -5.116 -11.818 -0.231 1.00 0.00 C ATOM 0 H LEU 1 29 -3.216 -13.092 2.752 1.00 0.00 H new ATOM 0 HA LEU 1 29 -4.208 -10.487 3.687 1.00 0.00 H new ATOM 0 HB2 LEU 1 29 -3.730 -9.565 1.760 1.00 0.00 H new ATOM 0 HB3 LEU 1 29 -3.182 -11.087 1.085 1.00 0.00 H new ATOM 0 HG LEU 1 29 -6.136 -10.755 1.279 1.00 0.00 H new ATOM 0 HD11 LEU 1 29 -6.247 -9.381 -0.699 1.00 0.00 H new ATOM 0 HD12 LEU 1 29 -5.487 -8.522 0.662 1.00 0.00 H new ATOM 0 HD13 LEU 1 29 -4.481 -9.164 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU 1 29 -5.985 -11.850 -0.888 1.00 0.00 H new ATOM 0 HD22 LEU 1 29 -4.211 -11.728 -0.831 1.00 0.00 H new ATOM 0 HD23 LEU 1 29 -5.072 -12.734 0.357 1.00 0.00 H new ATOM 463 N GLN 1 30 -6.531 -11.263 3.577 1.00 0.00 N ATOM 464 CA GLN 1 30 -7.888 -11.768 3.781 1.00 0.00 C ATOM 465 C GLN 1 30 -8.957 -10.826 3.291 1.00 0.00 C ATOM 466 O GLN 1 30 -8.744 -9.620 3.206 1.00 0.00 O ATOM 467 CB GLN 1 30 -8.132 -11.974 5.284 1.00 0.00 C ATOM 468 CG GLN 1 30 -8.138 -13.421 5.712 1.00 0.00 C ATOM 469 CD GLN 1 30 -6.814 -14.071 5.439 1.00 0.00 C ATOM 470 OE1 GLN 1 30 -6.091 -14.465 6.353 1.00 0.00 O ATOM 471 NE2 GLN 1 30 -6.497 -14.187 4.165 1.00 0.00 N ATOM 0 H GLN 1 30 -6.392 -10.314 3.925 1.00 0.00 H new ATOM 0 HA GLN 1 30 -7.954 -12.695 3.212 1.00 0.00 H new ATOM 0 HB2 GLN 1 30 -7.361 -11.444 5.843 1.00 0.00 H new ATOM 0 HB3 GLN 1 30 -9.087 -11.523 5.552 1.00 0.00 H new ATOM 0 HG2 GLN 1 30 -8.367 -13.488 6.776 1.00 0.00 H new ATOM 0 HG3 GLN 1 30 -8.926 -13.957 5.182 1.00 0.00 H new ATOM 0 HE21 GLN 1 30 -7.135 -13.842 3.447 1.00 0.00 H new ATOM 0 HE22 GLN 1 30 -5.614 -14.621 3.897 1.00 0.00 H new ATOM 480 N LYS 1 31 -10.154 -11.370 3.075 1.00 0.00 N ATOM 481 CA LYS 1 31 -11.263 -10.521 2.727 1.00 0.00 C ATOM 482 C LYS 1 31 -11.566 -9.803 4.030 1.00 0.00 C ATOM 483 O LYS 1 31 -12.021 -10.415 4.997 1.00 0.00 O ATOM 484 CB LYS 1 31 -12.457 -11.337 2.220 1.00 0.00 C ATOM 485 CG LYS 1 31 -13.398 -10.589 1.277 1.00 0.00 C ATOM 486 CD LYS 1 31 -12.762 -9.363 0.638 1.00 0.00 C ATOM 487 CE LYS 1 31 -13.577 -8.875 -0.549 1.00 0.00 C ATOM 488 NZ LYS 1 31 -12.927 -7.731 -1.244 1.00 0.00 N ATOM 0 H LYS 1 31 -10.366 -12.366 3.135 1.00 0.00 H new ATOM 0 HA LYS 1 31 -11.042 -9.832 1.911 1.00 0.00 H new ATOM 0 HB2 LYS 1 31 -12.081 -12.222 1.707 1.00 0.00 H new ATOM 0 HB3 LYS 1 31 -13.030 -11.686 3.079 1.00 0.00 H new ATOM 0 HG2 LYS 1 31 -13.730 -11.268 0.492 1.00 0.00 H new ATOM 0 HG3 LYS 1 31 -14.286 -10.282 1.829 1.00 0.00 H new ATOM 0 HD2 LYS 1 31 -12.679 -8.566 1.377 1.00 0.00 H new ATOM 0 HD3 LYS 1 31 -11.750 -9.603 0.313 1.00 0.00 H new ATOM 0 HE2 LYS 1 31 -13.716 -9.695 -1.254 1.00 0.00 H new ATOM 0 HE3 LYS 1 31 -14.568 -8.576 -0.209 1.00 0.00 H new ATOM 0 HZ1 LYS 1 31 -13.651 -7.160 -1.725 1.00 0.00 H new ATOM 0 HZ2 LYS 1 31 -12.427 -7.141 -0.549 1.00 0.00 H new ATOM 0 HZ3 LYS 1 31 -12.248 -8.091 -1.945 1.00 0.00 H new ATOM 502 N ILE 1 32 -11.143 -8.555 4.103 1.00 0.00 N ATOM 503 CA ILE 1 32 -11.194 -7.817 5.354 1.00 0.00 C ATOM 504 C ILE 1 32 -11.972 -6.509 5.260 1.00 0.00 C ATOM 505 O ILE 1 32 -11.617 -5.602 4.509 1.00 0.00 O ATOM 506 CB ILE 1 32 -9.716 -7.598 5.768 1.00 0.00 C ATOM 507 CG1 ILE 1 32 -8.996 -8.948 5.696 1.00 0.00 C ATOM 508 CG2 ILE 1 32 -9.539 -6.966 7.137 1.00 0.00 C ATOM 509 CD1 ILE 1 32 -8.655 -9.510 7.028 1.00 0.00 C ATOM 0 H ILE 1 32 -10.761 -8.031 3.315 1.00 0.00 H new ATOM 0 HA ILE 1 32 -11.744 -8.382 6.107 1.00 0.00 H new ATOM 0 HB ILE 1 32 -9.282 -6.880 5.072 1.00 0.00 H new ATOM 0 HG12 ILE 1 32 -9.626 -9.659 5.161 1.00 0.00 H new ATOM 0 HG13 ILE 1 32 -8.081 -8.832 5.114 1.00 0.00 H new ATOM 0 HG21 ILE 1 32 -8.476 -6.848 7.349 1.00 0.00 H new ATOM 0 HG22 ILE 1 32 -10.023 -5.989 7.152 1.00 0.00 H new ATOM 0 HG23 ILE 1 32 -9.991 -7.606 7.895 1.00 0.00 H new ATOM 0 HD11 ILE 1 32 -8.147 -10.466 6.900 1.00 0.00 H new ATOM 0 HD12 ILE 1 32 -7.999 -8.819 7.557 1.00 0.00 H new ATOM 0 HD13 ILE 1 32 -9.568 -9.658 7.605 1.00 0.00 H new ATOM 521 N ASN 1 33 -13.051 -6.437 6.039 1.00 0.00 N ATOM 522 CA ASN 1 33 -13.910 -5.268 6.061 1.00 0.00 C ATOM 523 C ASN 1 33 -14.513 -5.036 4.683 1.00 0.00 C ATOM 524 O ASN 1 33 -14.662 -3.898 4.239 1.00 0.00 O ATOM 525 CB ASN 1 33 -13.124 -4.040 6.510 1.00 0.00 C ATOM 526 CG ASN 1 33 -12.955 -3.979 8.016 1.00 0.00 C ATOM 527 OD1 ASN 1 33 -13.374 -3.017 8.660 1.00 0.00 O ATOM 528 ND2 ASN 1 33 -12.339 -5.009 8.586 1.00 0.00 N ATOM 0 H ASN 1 33 -13.347 -7.185 6.666 1.00 0.00 H new ATOM 0 HA ASN 1 33 -14.718 -5.440 6.772 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 -12.142 -4.048 6.037 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 -13.635 -3.140 6.168 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 -12.197 -5.023 9.596 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 -12.008 -5.786 8.014 1.00 0.00 H new ATOM 535 N GLY 1 34 -14.850 -6.132 4.009 1.00 0.00 N ATOM 536 CA GLY 1 34 -15.420 -6.046 2.687 1.00 0.00 C ATOM 537 C GLY 1 34 -14.380 -5.717 1.632 1.00 0.00 C ATOM 538 O GLY 1 34 -14.706 -5.565 0.454 1.00 0.00 O ATOM 0 H GLY 1 34 -14.735 -7.082 4.363 1.00 0.00 H new ATOM 0 HA2 GLY 1 34 -15.900 -6.993 2.438 1.00 0.00 H new ATOM 0 HA3 GLY 1 34 -16.198 -5.282 2.678 1.00 0.00 H new ATOM 542 N ILE 1 35 -13.125 -5.600 2.060 1.00 0.00 N ATOM 543 CA ILE 1 35 -12.031 -5.280 1.168 1.00 0.00 C ATOM 544 C ILE 1 35 -10.847 -6.196 1.451 1.00 0.00 C ATOM 545 O ILE 1 35 -10.496 -6.424 2.606 1.00 0.00 O ATOM 546 CB ILE 1 35 -11.582 -3.811 1.342 1.00 0.00 C ATOM 547 CG1 ILE 1 35 -12.367 -3.125 2.469 1.00 0.00 C ATOM 548 CG2 ILE 1 35 -11.748 -3.043 0.039 1.00 0.00 C ATOM 549 CD1 ILE 1 35 -11.520 -2.222 3.334 1.00 0.00 C ATOM 0 H ILE 1 35 -12.846 -5.725 3.033 1.00 0.00 H new ATOM 0 HA ILE 1 35 -12.380 -5.423 0.145 1.00 0.00 H new ATOM 0 HB ILE 1 35 -10.527 -3.813 1.614 1.00 0.00 H new ATOM 0 HG12 ILE 1 35 -13.177 -2.541 2.032 1.00 0.00 H new ATOM 0 HG13 ILE 1 35 -12.827 -3.888 3.097 1.00 0.00 H new ATOM 0 HG21 ILE 1 35 -11.427 -2.011 0.181 1.00 0.00 H new ATOM 0 HG22 ILE 1 35 -11.141 -3.508 -0.737 1.00 0.00 H new ATOM 0 HG23 ILE 1 35 -12.796 -3.059 -0.262 1.00 0.00 H new ATOM 0 HD11 ILE 1 35 -12.142 -1.772 4.108 1.00 0.00 H new ATOM 0 HD12 ILE 1 35 -10.725 -2.805 3.800 1.00 0.00 H new ATOM 0 HD13 ILE 1 35 -11.081 -1.436 2.719 1.00 0.00 H new ATOM 561 N TRP 1 36 -10.218 -6.708 0.404 1.00 0.00 N ATOM 562 CA TRP 1 36 -9.074 -7.593 0.584 1.00 0.00 C ATOM 563 C TRP 1 36 -7.976 -6.857 1.346 1.00 0.00 C ATOM 564 O TRP 1 36 -7.647 -5.724 1.009 1.00 0.00 O ATOM 565 CB TRP 1 36 -8.557 -8.070 -0.775 1.00 0.00 C ATOM 566 CG TRP 1 36 -9.540 -8.943 -1.492 1.00 0.00 C ATOM 567 CD1 TRP 1 36 -10.231 -8.635 -2.627 1.00 0.00 C ATOM 568 CD2 TRP 1 36 -9.963 -10.257 -1.107 1.00 0.00 C ATOM 569 NE1 TRP 1 36 -11.059 -9.675 -2.972 1.00 0.00 N ATOM 570 CE2 TRP 1 36 -10.913 -10.682 -2.055 1.00 0.00 C ATOM 571 CE3 TRP 1 36 -9.633 -11.116 -0.053 1.00 0.00 C ATOM 572 CZ2 TRP 1 36 -11.536 -11.926 -1.979 1.00 0.00 C ATOM 573 CZ3 TRP 1 36 -10.253 -12.350 0.020 1.00 0.00 C ATOM 574 CH2 TRP 1 36 -11.196 -12.744 -0.938 1.00 0.00 C ATOM 0 H TRP 1 36 -10.474 -6.530 -0.567 1.00 0.00 H new ATOM 0 HA TRP 1 36 -9.380 -8.467 1.159 1.00 0.00 H new ATOM 0 HB2 TRP 1 36 -8.326 -7.204 -1.396 1.00 0.00 H new ATOM 0 HB3 TRP 1 36 -7.626 -8.618 -0.633 1.00 0.00 H new ATOM 0 HD1 TRP 1 36 -10.140 -7.708 -3.174 1.00 0.00 H new ATOM 0 HE1 TRP 1 36 -11.681 -9.694 -3.780 1.00 0.00 H new ATOM 0 HE3 TRP 1 36 -8.907 -10.821 0.690 1.00 0.00 H new ATOM 0 HZ2 TRP 1 36 -12.262 -12.233 -2.717 1.00 0.00 H new ATOM 0 HZ3 TRP 1 36 -10.006 -13.021 0.829 1.00 0.00 H new ATOM 0 HH2 TRP 1 36 -11.664 -13.714 -0.852 1.00 0.00 H new ATOM 585 N GLN 1 37 -7.423 -7.487 2.382 1.00 0.00 N ATOM 586 CA GLN 1 37 -6.383 -6.848 3.177 1.00 0.00 C ATOM 587 C GLN 1 37 -5.090 -7.610 3.081 1.00 0.00 C ATOM 588 O GLN 1 37 -5.093 -8.820 2.948 1.00 0.00 O ATOM 589 CB GLN 1 37 -6.807 -6.736 4.636 1.00 0.00 C ATOM 590 CG GLN 1 37 -5.683 -6.370 5.589 1.00 0.00 C ATOM 591 CD GLN 1 37 -5.647 -7.185 6.885 1.00 0.00 C ATOM 592 OE1 GLN 1 37 -5.628 -6.631 7.984 1.00 0.00 O ATOM 593 NE2 GLN 1 37 -5.618 -8.502 6.778 1.00 0.00 N ATOM 0 H GLN 1 37 -7.676 -8.427 2.685 1.00 0.00 H new ATOM 0 HA GLN 1 37 -6.231 -5.846 2.777 1.00 0.00 H new ATOM 0 HB2 GLN 1 37 -7.594 -5.986 4.717 1.00 0.00 H new ATOM 0 HB3 GLN 1 37 -7.239 -7.686 4.950 1.00 0.00 H new ATOM 0 HG2 GLN 1 37 -4.732 -6.495 5.071 1.00 0.00 H new ATOM 0 HG3 GLN 1 37 -5.771 -5.314 5.843 1.00 0.00 H new ATOM 0 HE21 GLN 1 37 -5.635 -8.939 5.857 1.00 0.00 H new ATOM 0 HE22 GLN 1 37 -5.579 -9.081 7.617 1.00 0.00 H new ATOM 602 N VAL 1 38 -3.989 -6.877 3.129 1.00 0.00 N ATOM 603 CA VAL 1 38 -2.675 -7.477 2.998 1.00 0.00 C ATOM 604 C VAL 1 38 -1.816 -7.386 4.254 1.00 0.00 C ATOM 605 O VAL 1 38 -1.931 -6.435 5.044 1.00 0.00 O ATOM 606 CB VAL 1 38 -1.939 -6.792 1.832 1.00 0.00 C ATOM 607 CG1 VAL 1 38 -0.649 -7.519 1.501 1.00 0.00 C ATOM 608 CG2 VAL 1 38 -2.842 -6.739 0.613 1.00 0.00 C ATOM 0 H VAL 1 38 -3.981 -5.865 3.258 1.00 0.00 H new ATOM 0 HA VAL 1 38 -2.832 -8.540 2.816 1.00 0.00 H new ATOM 0 HB VAL 1 38 -1.684 -5.776 2.134 1.00 0.00 H new ATOM 0 HG11 VAL 1 38 -0.149 -7.015 0.674 1.00 0.00 H new ATOM 0 HG12 VAL 1 38 0.003 -7.518 2.374 1.00 0.00 H new ATOM 0 HG13 VAL 1 38 -0.873 -8.547 1.216 1.00 0.00 H new ATOM 0 HG21 VAL 1 38 -2.316 -6.253 -0.209 1.00 0.00 H new ATOM 0 HG22 VAL 1 38 -3.117 -7.752 0.319 1.00 0.00 H new ATOM 0 HG23 VAL 1 38 -3.743 -6.173 0.852 1.00 0.00 H new ATOM 618 N ARG 1 39 -0.943 -8.399 4.406 1.00 0.00 N ATOM 619 CA ARG 1 39 -0.013 -8.477 5.520 1.00 0.00 C ATOM 620 C ARG 1 39 1.324 -9.080 5.079 1.00 0.00 C ATOM 621 O ARG 1 39 1.348 -10.032 4.301 1.00 0.00 O ATOM 622 CB ARG 1 39 -0.594 -9.331 6.646 1.00 0.00 C ATOM 623 CG ARG 1 39 -1.894 -8.800 7.194 1.00 0.00 C ATOM 624 CD ARG 1 39 -2.816 -9.918 7.661 1.00 0.00 C ATOM 625 NE ARG 1 39 -2.097 -10.983 8.364 1.00 0.00 N ATOM 626 CZ ARG 1 39 -2.633 -11.736 9.323 1.00 0.00 C ATOM 627 NH1 ARG 1 39 -3.886 -11.541 9.708 1.00 0.00 N ATOM 628 NH2 ARG 1 39 -1.915 -12.687 9.900 1.00 0.00 N ATOM 0 H ARG 1 39 -0.872 -9.180 3.754 1.00 0.00 H new ATOM 0 HA ARG 1 39 0.153 -7.461 5.879 1.00 0.00 H new ATOM 0 HB2 ARG 1 39 -0.751 -10.345 6.278 1.00 0.00 H new ATOM 0 HB3 ARG 1 39 0.133 -9.395 7.455 1.00 0.00 H new ATOM 0 HG2 ARG 1 39 -1.688 -8.128 8.027 1.00 0.00 H new ATOM 0 HG3 ARG 1 39 -2.397 -8.212 6.427 1.00 0.00 H new ATOM 0 HD2 ARG 1 39 -3.579 -9.504 8.320 1.00 0.00 H new ATOM 0 HD3 ARG 1 39 -3.334 -10.341 6.800 1.00 0.00 H new ATOM 0 HE ARG 1 39 -1.127 -11.159 8.103 1.00 0.00 H new ATOM 0 HH11 ARG 1 39 -4.447 -10.810 9.269 1.00 0.00 H new ATOM 0 HH12 ARG 1 39 -4.290 -12.122 10.443 1.00 0.00 H new ATOM 0 HH21 ARG 1 39 -0.950 -12.844 9.610 1.00 0.00 H new ATOM 0 HH22 ARG 1 39 -2.327 -13.263 10.634 1.00 0.00 H new ATOM 642 N ASN 1 40 2.425 -8.592 5.647 1.00 0.00 N ATOM 643 CA ASN 1 40 3.726 -9.163 5.377 1.00 0.00 C ATOM 644 C ASN 1 40 4.432 -9.374 6.674 1.00 0.00 C ATOM 645 O ASN 1 40 4.189 -8.701 7.652 1.00 0.00 O ATOM 646 CB ASN 1 40 4.667 -8.362 4.483 1.00 0.00 C ATOM 647 CG ASN 1 40 4.022 -7.270 3.670 1.00 0.00 C ATOM 648 OD1 ASN 1 40 2.873 -7.381 3.242 1.00 0.00 O ATOM 649 ND2 ASN 1 40 4.773 -6.203 3.456 1.00 0.00 N ATOM 0 H ASN 1 40 2.434 -7.804 6.295 1.00 0.00 H new ATOM 0 HA ASN 1 40 3.502 -10.076 4.826 1.00 0.00 H new ATOM 0 HB2 ASN 1 40 5.441 -7.916 5.108 1.00 0.00 H new ATOM 0 HB3 ASN 1 40 5.166 -9.051 3.801 1.00 0.00 H new ATOM 0 HD21 ASN 1 40 4.406 -5.421 2.913 1.00 0.00 H new ATOM 0 HD22 ASN 1 40 5.720 -6.162 3.834 1.00 0.00 H new ATOM 656 N ASN 1 41 5.295 -10.322 6.651 1.00 0.00 N ATOM 657 CA ASN 1 41 6.079 -10.684 7.806 1.00 0.00 C ATOM 658 C ASN 1 41 6.971 -9.530 8.294 1.00 0.00 C ATOM 659 O ASN 1 41 7.460 -9.562 9.425 1.00 0.00 O ATOM 660 CB ASN 1 41 6.957 -11.900 7.477 1.00 0.00 C ATOM 661 CG ASN 1 41 7.459 -11.896 6.035 1.00 0.00 C ATOM 662 OD1 ASN 1 41 7.862 -12.929 5.501 1.00 0.00 O ATOM 663 ND2 ASN 1 41 7.438 -10.722 5.410 1.00 0.00 N ATOM 0 H ASN 1 41 5.490 -10.886 5.824 1.00 0.00 H new ATOM 0 HA ASN 1 41 5.381 -10.925 8.608 1.00 0.00 H new ATOM 0 HB2 ASN 1 41 7.811 -11.919 8.154 1.00 0.00 H new ATOM 0 HB3 ASN 1 41 6.388 -12.812 7.656 1.00 0.00 H new ATOM 0 HD21 ASN 1 41 7.765 -10.651 4.446 1.00 0.00 H new ATOM 0 HD22 ASN 1 41 7.095 -9.893 5.894 1.00 0.00 H new ATOM 670 N ILE 1 42 7.196 -8.519 7.448 1.00 0.00 N ATOM 671 CA ILE 1 42 8.025 -7.403 7.802 1.00 0.00 C ATOM 672 C ILE 1 42 7.233 -6.373 8.566 1.00 0.00 C ATOM 673 O ILE 1 42 7.627 -5.921 9.642 1.00 0.00 O ATOM 674 CB ILE 1 42 8.562 -6.729 6.550 1.00 0.00 C ATOM 675 CG1 ILE 1 42 9.183 -7.758 5.638 1.00 0.00 C ATOM 676 CG2 ILE 1 42 9.551 -5.667 6.920 1.00 0.00 C ATOM 677 CD1 ILE 1 42 8.227 -8.195 4.570 1.00 0.00 C ATOM 0 H ILE 1 42 6.803 -8.468 6.508 1.00 0.00 H new ATOM 0 HA ILE 1 42 8.842 -7.783 8.416 1.00 0.00 H new ATOM 0 HB ILE 1 42 7.740 -6.253 6.016 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 10.080 -7.343 5.177 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 9.496 -8.623 6.223 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 9.929 -5.191 6.015 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.065 -4.920 7.547 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 10.380 -6.116 7.467 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 8.708 -8.936 3.932 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 7.342 -8.633 5.031 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 7.935 -7.334 3.969 1.00 0.00 H new ATOM 689 N LEU 1 43 6.097 -6.016 7.991 1.00 0.00 N ATOM 690 CA LEU 1 43 5.217 -5.054 8.596 1.00 0.00 C ATOM 691 C LEU 1 43 4.070 -5.752 9.291 1.00 0.00 C ATOM 692 O LEU 1 43 3.314 -5.123 10.027 1.00 0.00 O ATOM 693 CB LEU 1 43 4.649 -4.093 7.561 1.00 0.00 C ATOM 694 CG LEU 1 43 5.664 -3.422 6.643 1.00 0.00 C ATOM 695 CD1 LEU 1 43 7.033 -3.312 7.302 1.00 0.00 C ATOM 696 CD2 LEU 1 43 5.754 -4.158 5.320 1.00 0.00 C ATOM 0 H LEU 1 43 5.768 -6.386 7.099 1.00 0.00 H new ATOM 0 HA LEU 1 43 5.804 -4.489 9.320 1.00 0.00 H new ATOM 0 HB2 LEU 1 43 3.934 -4.637 6.943 1.00 0.00 H new ATOM 0 HB3 LEU 1 43 4.092 -3.315 8.084 1.00 0.00 H new ATOM 0 HG LEU 1 43 5.317 -2.407 6.450 1.00 0.00 H new ATOM 0 HD11 LEU 1 43 7.729 -2.828 6.617 1.00 0.00 H new ATOM 0 HD12 LEU 1 43 6.951 -2.720 8.214 1.00 0.00 H new ATOM 0 HD13 LEU 1 43 7.400 -4.309 7.548 1.00 0.00 H new ATOM 0 HD21 LEU 1 43 6.483 -3.664 4.678 1.00 0.00 H new ATOM 0 HD22 LEU 1 43 6.064 -5.188 5.497 1.00 0.00 H new ATOM 0 HD23 LEU 1 43 4.779 -4.152 4.833 1.00 0.00 H new ATOM 708 N VAL 1 44 3.913 -7.049 9.041 1.00 0.00 N ATOM 709 CA VAL 1 44 2.817 -7.773 9.649 1.00 0.00 C ATOM 710 C VAL 1 44 3.155 -9.220 9.889 1.00 0.00 C ATOM 711 O VAL 1 44 2.621 -10.118 9.240 1.00 0.00 O ATOM 712 CB VAL 1 44 1.540 -7.694 8.830 1.00 0.00 C ATOM 713 CG1 VAL 1 44 0.338 -7.969 9.719 1.00 0.00 C ATOM 714 CG2 VAL 1 44 1.421 -6.345 8.148 1.00 0.00 C ATOM 0 H VAL 1 44 4.518 -7.604 8.436 1.00 0.00 H new ATOM 0 HA VAL 1 44 2.648 -7.283 10.608 1.00 0.00 H new ATOM 0 HB VAL 1 44 1.573 -8.454 8.050 1.00 0.00 H new ATOM 0 HG11 VAL 1 44 -0.574 -7.911 9.126 1.00 0.00 H new ATOM 0 HG12 VAL 1 44 0.426 -8.965 10.152 1.00 0.00 H new ATOM 0 HG13 VAL 1 44 0.299 -7.228 10.518 1.00 0.00 H new ATOM 0 HG21 VAL 1 44 0.499 -6.311 7.567 1.00 0.00 H new ATOM 0 HG22 VAL 1 44 1.405 -5.557 8.901 1.00 0.00 H new ATOM 0 HG23 VAL 1 44 2.273 -6.196 7.485 1.00 0.00 H new ATOM 724 N PRO 1 45 4.031 -9.462 10.854 1.00 0.00 N ATOM 725 CA PRO 1 45 4.424 -10.803 11.230 1.00 0.00 C ATOM 726 C PRO 1 45 3.187 -11.646 11.444 1.00 0.00 C ATOM 727 O PRO 1 45 3.168 -12.849 11.183 1.00 0.00 O ATOM 728 CB PRO 1 45 5.156 -10.555 12.541 1.00 0.00 C ATOM 729 CG PRO 1 45 5.744 -9.217 12.380 1.00 0.00 C ATOM 730 CD PRO 1 45 4.674 -8.444 11.689 1.00 0.00 C ATOM 0 HA PRO 1 45 5.028 -11.331 10.492 1.00 0.00 H new ATOM 0 HB2 PRO 1 45 4.474 -10.590 13.391 1.00 0.00 H new ATOM 0 HB3 PRO 1 45 5.924 -11.309 12.717 1.00 0.00 H new ATOM 0 HG2 PRO 1 45 6.001 -8.774 13.342 1.00 0.00 H new ATOM 0 HG3 PRO 1 45 6.660 -9.250 11.790 1.00 0.00 H new ATOM 0 HD2 PRO 1 45 3.974 -7.999 12.397 1.00 0.00 H new ATOM 0 HD3 PRO 1 45 5.084 -7.630 11.092 1.00 0.00 H new ATOM 738 N THR 1 46 2.148 -10.958 11.905 1.00 0.00 N ATOM 739 CA THR 1 46 0.849 -11.558 12.169 1.00 0.00 C ATOM 740 C THR 1 46 -0.060 -10.589 12.928 1.00 0.00 C ATOM 741 O THR 1 46 0.414 -9.724 13.665 1.00 0.00 O ATOM 742 CB THR 1 46 1.019 -12.843 12.985 1.00 0.00 C ATOM 743 OG1 THR 1 46 -0.199 -13.563 13.052 1.00 0.00 O ATOM 744 CG2 THR 1 46 1.487 -12.598 14.405 1.00 0.00 C ATOM 0 H THR 1 46 2.186 -9.959 12.107 1.00 0.00 H new ATOM 0 HA THR 1 46 0.386 -11.792 11.211 1.00 0.00 H new ATOM 0 HB THR 1 46 1.786 -13.414 12.461 1.00 0.00 H new ATOM 0 HG1 THR 1 46 -0.760 -13.191 13.764 1.00 0.00 H new ATOM 0 HG21 THR 1 46 1.586 -13.551 14.925 1.00 0.00 H new ATOM 0 HG22 THR 1 46 2.452 -12.092 14.388 1.00 0.00 H new ATOM 0 HG23 THR 1 46 0.760 -11.975 14.925 1.00 0.00 H new ATOM 752 N ASP 1 47 -1.372 -10.779 12.786 1.00 0.00 N ATOM 753 CA ASP 1 47 -2.364 -9.955 13.501 1.00 0.00 C ATOM 754 C ASP 1 47 -2.499 -8.524 12.987 1.00 0.00 C ATOM 755 O ASP 1 47 -2.410 -7.573 13.765 1.00 0.00 O ATOM 756 CB ASP 1 47 -2.000 -9.858 14.964 1.00 0.00 C ATOM 757 CG ASP 1 47 -1.290 -11.089 15.500 1.00 0.00 C ATOM 758 OD1 ASP 1 47 -1.878 -12.189 15.430 1.00 0.00 O ATOM 759 OD2 ASP 1 47 -0.148 -10.952 15.985 1.00 0.00 O ATOM 0 H ASP 1 47 -1.779 -11.495 12.184 1.00 0.00 H new ATOM 0 HA ASP 1 47 -3.313 -10.464 13.332 1.00 0.00 H new ATOM 0 HB2 ASP 1 47 -1.361 -8.987 15.113 1.00 0.00 H new ATOM 0 HB3 ASP 1 47 -2.907 -9.691 15.545 1.00 0.00 H new ATOM 764 N PHE 1 48 -2.791 -8.358 11.713 1.00 0.00 N ATOM 765 CA PHE 1 48 -2.992 -7.051 11.158 1.00 0.00 C ATOM 766 C PHE 1 48 -4.408 -6.630 11.441 1.00 0.00 C ATOM 767 O PHE 1 48 -5.349 -7.243 10.941 1.00 0.00 O ATOM 768 CB PHE 1 48 -2.764 -7.080 9.656 1.00 0.00 C ATOM 769 CG PHE 1 48 -1.979 -5.921 9.086 1.00 0.00 C ATOM 770 CD1 PHE 1 48 -1.397 -4.943 9.889 1.00 0.00 C ATOM 771 CD2 PHE 1 48 -1.812 -5.828 7.718 1.00 0.00 C ATOM 772 CE1 PHE 1 48 -0.670 -3.917 9.321 1.00 0.00 C ATOM 773 CE2 PHE 1 48 -1.088 -4.801 7.158 1.00 0.00 C ATOM 774 CZ PHE 1 48 -0.515 -3.848 7.959 1.00 0.00 C ATOM 0 H PHE 1 48 -2.893 -9.122 11.045 1.00 0.00 H new ATOM 0 HA PHE 1 48 -2.289 -6.348 11.605 1.00 0.00 H new ATOM 0 HB2 PHE 1 48 -2.244 -8.005 9.404 1.00 0.00 H new ATOM 0 HB3 PHE 1 48 -3.735 -7.115 9.161 1.00 0.00 H new ATOM 0 HD1 PHE 1 48 -1.515 -4.988 10.962 1.00 0.00 H new ATOM 0 HD2 PHE 1 48 -2.257 -6.574 7.077 1.00 0.00 H new ATOM 0 HE1 PHE 1 48 -0.220 -3.164 9.952 1.00 0.00 H new ATOM 0 HE2 PHE 1 48 -0.971 -4.746 6.086 1.00 0.00 H new ATOM 0 HZ PHE 1 48 0.057 -3.044 7.519 1.00 0.00 H new ATOM 784 N THR 1 49 -4.563 -5.614 12.254 1.00 0.00 N ATOM 785 CA THR 1 49 -5.889 -5.140 12.602 1.00 0.00 C ATOM 786 C THR 1 49 -6.726 -4.995 11.353 1.00 0.00 C ATOM 787 O THR 1 49 -6.751 -3.947 10.709 1.00 0.00 O ATOM 788 CB THR 1 49 -5.849 -3.803 13.318 1.00 0.00 C ATOM 789 OG1 THR 1 49 -4.583 -3.574 13.912 1.00 0.00 O ATOM 790 CG2 THR 1 49 -6.899 -3.687 14.384 1.00 0.00 C ATOM 0 H THR 1 49 -3.796 -5.099 12.687 1.00 0.00 H new ATOM 0 HA THR 1 49 -6.327 -5.877 13.276 1.00 0.00 H new ATOM 0 HB THR 1 49 -6.044 -3.054 12.551 1.00 0.00 H new ATOM 0 HG1 THR 1 49 -4.671 -2.904 14.622 1.00 0.00 H new ATOM 0 HG21 THR 1 49 -6.824 -2.711 14.863 1.00 0.00 H new ATOM 0 HG22 THR 1 49 -7.886 -3.796 13.936 1.00 0.00 H new ATOM 0 HG23 THR 1 49 -6.750 -4.469 15.128 1.00 0.00 H new ATOM 798 N TRP 1 50 -7.427 -6.056 11.041 1.00 0.00 N ATOM 799 CA TRP 1 50 -8.299 -6.101 9.886 1.00 0.00 C ATOM 800 C TRP 1 50 -9.182 -4.858 9.825 1.00 0.00 C ATOM 801 O TRP 1 50 -9.627 -4.437 8.757 1.00 0.00 O ATOM 802 CB TRP 1 50 -9.199 -7.318 10.021 1.00 0.00 C ATOM 803 CG TRP 1 50 -8.532 -8.643 9.778 1.00 0.00 C ATOM 804 CD1 TRP 1 50 -7.227 -8.866 9.441 1.00 0.00 C ATOM 805 CD2 TRP 1 50 -9.150 -9.938 9.856 1.00 0.00 C ATOM 806 NE1 TRP 1 50 -7.002 -10.214 9.290 1.00 0.00 N ATOM 807 CE2 TRP 1 50 -8.163 -10.893 9.544 1.00 0.00 C ATOM 808 CE3 TRP 1 50 -10.442 -10.378 10.156 1.00 0.00 C ATOM 809 CZ2 TRP 1 50 -8.429 -12.259 9.524 1.00 0.00 C ATOM 810 CZ3 TRP 1 50 -10.704 -11.735 10.137 1.00 0.00 C ATOM 811 CH2 TRP 1 50 -9.703 -12.661 9.823 1.00 0.00 C ATOM 0 H TRP 1 50 -7.411 -6.920 11.582 1.00 0.00 H new ATOM 0 HA TRP 1 50 -7.692 -6.149 8.982 1.00 0.00 H new ATOM 0 HB2 TRP 1 50 -9.626 -7.324 11.024 1.00 0.00 H new ATOM 0 HB3 TRP 1 50 -10.029 -7.214 9.322 1.00 0.00 H new ATOM 0 HD1 TRP 1 50 -6.481 -8.096 9.312 1.00 0.00 H new ATOM 0 HE1 TRP 1 50 -6.112 -10.640 9.030 1.00 0.00 H new ATOM 0 HE3 TRP 1 50 -11.221 -9.671 10.398 1.00 0.00 H new ATOM 0 HZ2 TRP 1 50 -7.658 -12.976 9.281 1.00 0.00 H new ATOM 0 HZ3 TRP 1 50 -11.699 -12.087 10.369 1.00 0.00 H new ATOM 0 HH2 TRP 1 50 -9.940 -13.715 9.816 1.00 0.00 H new ATOM 822 N VAL 1 51 -9.436 -4.301 10.997 1.00 0.00 N ATOM 823 CA VAL 1 51 -10.277 -3.122 11.141 1.00 0.00 C ATOM 824 C VAL 1 51 -9.807 -1.997 10.268 1.00 0.00 C ATOM 825 O VAL 1 51 -10.559 -1.436 9.470 1.00 0.00 O ATOM 826 CB VAL 1 51 -10.321 -2.625 12.608 1.00 0.00 C ATOM 827 CG1 VAL 1 51 -9.012 -1.970 13.027 1.00 0.00 C ATOM 828 CG2 VAL 1 51 -11.475 -1.658 12.813 1.00 0.00 C ATOM 0 H VAL 1 51 -9.064 -4.654 11.879 1.00 0.00 H new ATOM 0 HA VAL 1 51 -11.278 -3.425 10.833 1.00 0.00 H new ATOM 0 HB VAL 1 51 -10.472 -3.501 13.238 1.00 0.00 H new ATOM 0 HG11 VAL 1 51 -9.087 -1.636 14.062 1.00 0.00 H new ATOM 0 HG12 VAL 1 51 -8.199 -2.690 12.936 1.00 0.00 H new ATOM 0 HG13 VAL 1 51 -8.811 -1.113 12.383 1.00 0.00 H new ATOM 0 HG21 VAL 1 51 -11.488 -1.321 13.850 1.00 0.00 H new ATOM 0 HG22 VAL 1 51 -11.351 -0.799 12.154 1.00 0.00 H new ATOM 0 HG23 VAL 1 51 -12.415 -2.159 12.583 1.00 0.00 H new ATOM 838 N ASP 1 52 -8.566 -1.653 10.466 1.00 0.00 N ATOM 839 CA ASP 1 52 -7.976 -0.552 9.742 1.00 0.00 C ATOM 840 C ASP 1 52 -6.482 -0.692 9.542 1.00 0.00 C ATOM 841 O ASP 1 52 -5.888 0.031 8.746 1.00 0.00 O ATOM 842 CB ASP 1 52 -8.257 0.721 10.512 1.00 0.00 C ATOM 843 CG ASP 1 52 -7.768 1.969 9.803 1.00 0.00 C ATOM 844 OD1 ASP 1 52 -7.487 1.890 8.589 1.00 0.00 O ATOM 845 OD2 ASP 1 52 -7.666 3.025 10.462 1.00 0.00 O ATOM 0 H ASP 1 52 -7.939 -2.117 11.123 1.00 0.00 H new ATOM 0 HA ASP 1 52 -8.421 -0.536 8.747 1.00 0.00 H new ATOM 0 HB2 ASP 1 52 -9.330 0.805 10.683 1.00 0.00 H new ATOM 0 HB3 ASP 1 52 -7.782 0.658 11.491 1.00 0.00 H new ATOM 850 N ASN 1 53 -5.873 -1.601 10.267 1.00 0.00 N ATOM 851 CA ASN 1 53 -4.438 -1.786 10.159 1.00 0.00 C ATOM 852 C ASN 1 53 -4.107 -2.736 9.055 1.00 0.00 C ATOM 853 O ASN 1 53 -2.966 -2.822 8.605 1.00 0.00 O ATOM 854 CB ASN 1 53 -3.837 -2.261 11.476 1.00 0.00 C ATOM 855 CG ASN 1 53 -4.020 -1.286 12.640 1.00 0.00 C ATOM 856 OD1 ASN 1 53 -3.316 -1.383 13.645 1.00 0.00 O ATOM 857 ND2 ASN 1 53 -4.960 -0.341 12.526 1.00 0.00 N ATOM 0 H ASN 1 53 -6.339 -2.219 10.931 1.00 0.00 H new ATOM 0 HA ASN 1 53 -3.998 -0.817 9.923 1.00 0.00 H new ATOM 0 HB2 ASN 1 53 -4.288 -3.217 11.744 1.00 0.00 H new ATOM 0 HB3 ASN 1 53 -2.772 -2.440 11.332 1.00 0.00 H new ATOM 0 HD21 ASN 1 53 -5.109 0.324 13.285 1.00 0.00 H new ATOM 0 HD22 ASN 1 53 -5.528 -0.286 11.680 1.00 0.00 H new ATOM 864 N GLY 1 54 -5.121 -3.386 8.571 1.00 0.00 N ATOM 865 CA GLY 1 54 -4.959 -4.242 7.486 1.00 0.00 C ATOM 866 C GLY 1 54 -4.945 -3.432 6.228 1.00 0.00 C ATOM 867 O GLY 1 54 -5.699 -2.468 6.096 1.00 0.00 O ATOM 0 H GLY 1 54 -6.073 -3.324 8.931 1.00 0.00 H new ATOM 0 HA2 GLY 1 54 -4.029 -4.803 7.584 1.00 0.00 H new ATOM 0 HA3 GLY 1 54 -5.769 -4.971 7.456 1.00 0.00 H new ATOM 871 N ILE 1 55 -4.089 -3.793 5.316 1.00 0.00 N ATOM 872 CA ILE 1 55 -3.993 -3.046 4.078 1.00 0.00 C ATOM 873 C ILE 1 55 -5.045 -3.488 3.084 1.00 0.00 C ATOM 874 O ILE 1 55 -5.027 -4.615 2.628 1.00 0.00 O ATOM 875 CB ILE 1 55 -2.614 -3.200 3.396 1.00 0.00 C ATOM 876 CG1 ILE 1 55 -2.764 -3.226 1.897 1.00 0.00 C ATOM 877 CG2 ILE 1 55 -1.874 -4.401 3.850 1.00 0.00 C ATOM 878 CD1 ILE 1 55 -2.634 -1.865 1.321 1.00 0.00 C ATOM 0 H ILE 1 55 -3.453 -4.586 5.395 1.00 0.00 H new ATOM 0 HA ILE 1 55 -4.143 -2.003 4.358 1.00 0.00 H new ATOM 0 HB ILE 1 55 -2.026 -2.331 3.691 1.00 0.00 H new ATOM 0 HG12 ILE 1 55 -2.007 -3.881 1.465 1.00 0.00 H new ATOM 0 HG13 ILE 1 55 -3.735 -3.644 1.633 1.00 0.00 H new ATOM 0 HG21 ILE 1 55 -0.915 -4.453 3.335 1.00 0.00 H new ATOM 0 HG22 ILE 1 55 -1.706 -4.340 4.925 1.00 0.00 H new ATOM 0 HG23 ILE 1 55 -2.456 -5.294 3.624 1.00 0.00 H new ATOM 0 HD11 ILE 1 55 -2.747 -1.916 0.238 1.00 0.00 H new ATOM 0 HD12 ILE 1 55 -3.407 -1.219 1.736 1.00 0.00 H new ATOM 0 HD13 ILE 1 55 -1.652 -1.459 1.565 1.00 0.00 H new ATOM 890 N ALA 1 56 -5.938 -2.592 2.698 1.00 0.00 N ATOM 891 CA ALA 1 56 -6.921 -2.953 1.707 1.00 0.00 C ATOM 892 C ALA 1 56 -6.225 -3.138 0.387 1.00 0.00 C ATOM 893 O ALA 1 56 -6.071 -2.204 -0.393 1.00 0.00 O ATOM 894 CB ALA 1 56 -8.046 -1.936 1.614 1.00 0.00 C ATOM 0 H ALA 1 56 -5.999 -1.636 3.048 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.396 -3.889 2.003 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -8.761 -2.252 0.854 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -8.550 -1.862 2.578 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -7.636 -0.963 1.343 1.00 0.00 H new ATOM 900 N ALA 1 57 -5.759 -4.357 0.182 1.00 0.00 N ATOM 901 CA ALA 1 57 -5.016 -4.712 -1.004 1.00 0.00 C ATOM 902 C ALA 1 57 -5.481 -3.976 -2.260 1.00 0.00 C ATOM 903 O ALA 1 57 -4.680 -3.652 -3.132 1.00 0.00 O ATOM 904 CB ALA 1 57 -5.065 -6.208 -1.234 1.00 0.00 C ATOM 0 H ALA 1 57 -5.888 -5.128 0.838 1.00 0.00 H new ATOM 0 HA ALA 1 57 -3.989 -4.398 -0.820 1.00 0.00 H new ATOM 0 HB1 ALA 1 57 -4.500 -6.457 -2.132 1.00 0.00 H new ATOM 0 HB2 ALA 1 57 -4.630 -6.722 -0.377 1.00 0.00 H new ATOM 0 HB3 ALA 1 57 -6.101 -6.523 -1.358 1.00 0.00 H new ATOM 910 N ASP 1 58 -6.773 -3.715 -2.345 1.00 0.00 N ATOM 911 CA ASP 1 58 -7.333 -3.022 -3.498 1.00 0.00 C ATOM 912 C ASP 1 58 -6.604 -1.703 -3.724 1.00 0.00 C ATOM 913 O ASP 1 58 -6.377 -1.281 -4.858 1.00 0.00 O ATOM 914 CB ASP 1 58 -8.839 -2.803 -3.293 1.00 0.00 C ATOM 915 CG ASP 1 58 -9.234 -1.342 -3.154 1.00 0.00 C ATOM 916 OD1 ASP 1 58 -9.059 -0.585 -4.131 1.00 0.00 O ATOM 917 OD2 ASP 1 58 -9.715 -0.959 -2.067 1.00 0.00 O ATOM 0 H ASP 1 58 -7.456 -3.971 -1.632 1.00 0.00 H new ATOM 0 HA ASP 1 58 -7.197 -3.634 -4.390 1.00 0.00 H new ATOM 0 HB2 ASP 1 58 -9.378 -3.237 -4.136 1.00 0.00 H new ATOM 0 HB3 ASP 1 58 -9.157 -3.342 -2.400 1.00 0.00 H new ATOM 922 N ASP 1 59 -6.250 -1.066 -2.621 1.00 0.00 N ATOM 923 CA ASP 1 59 -5.550 0.197 -2.634 1.00 0.00 C ATOM 924 C ASP 1 59 -4.127 0.060 -3.170 1.00 0.00 C ATOM 925 O ASP 1 59 -3.562 1.031 -3.675 1.00 0.00 O ATOM 926 CB ASP 1 59 -5.497 0.746 -1.212 1.00 0.00 C ATOM 927 CG ASP 1 59 -6.721 0.401 -0.390 1.00 0.00 C ATOM 928 OD1 ASP 1 59 -7.801 0.204 -0.984 1.00 0.00 O ATOM 929 OD2 ASP 1 59 -6.596 0.323 0.848 1.00 0.00 O ATOM 0 H ASP 1 59 -6.445 -1.419 -1.684 1.00 0.00 H new ATOM 0 HA ASP 1 59 -6.090 0.874 -3.295 1.00 0.00 H new ATOM 0 HB2 ASP 1 59 -4.611 0.356 -0.712 1.00 0.00 H new ATOM 0 HB3 ASP 1 59 -5.389 1.830 -1.252 1.00 0.00 H new ATOM 934 N VAL 1 60 -3.528 -1.125 -3.046 1.00 0.00 N ATOM 935 CA VAL 1 60 -2.179 -1.312 -3.507 1.00 0.00 C ATOM 936 C VAL 1 60 -2.114 -1.948 -4.873 1.00 0.00 C ATOM 937 O VAL 1 60 -3.117 -2.059 -5.577 1.00 0.00 O ATOM 938 CB VAL 1 60 -1.370 -2.129 -2.527 1.00 0.00 C ATOM 939 CG1 VAL 1 60 -1.378 -1.454 -1.188 1.00 0.00 C ATOM 940 CG2 VAL 1 60 -1.894 -3.539 -2.463 1.00 0.00 C ATOM 0 H VAL 1 60 -3.961 -1.952 -2.634 1.00 0.00 H new ATOM 0 HA VAL 1 60 -1.748 -0.314 -3.583 1.00 0.00 H new ATOM 0 HB VAL 1 60 -0.334 -2.192 -2.861 1.00 0.00 H new ATOM 0 HG11 VAL 1 60 -0.795 -2.043 -0.480 1.00 0.00 H new ATOM 0 HG12 VAL 1 60 -0.941 -0.459 -1.279 1.00 0.00 H new ATOM 0 HG13 VAL 1 60 -2.404 -1.368 -0.830 1.00 0.00 H new ATOM 0 HG21 VAL 1 60 -1.301 -4.116 -1.753 1.00 0.00 H new ATOM 0 HG22 VAL 1 60 -2.935 -3.526 -2.140 1.00 0.00 H new ATOM 0 HG23 VAL 1 60 -1.826 -3.998 -3.449 1.00 0.00 H new ATOM 950 N ILE 1 61 -0.906 -2.305 -5.264 1.00 0.00 N ATOM 951 CA ILE 1 61 -0.673 -2.854 -6.555 1.00 0.00 C ATOM 952 C ILE 1 61 0.432 -3.890 -6.545 1.00 0.00 C ATOM 953 O ILE 1 61 1.608 -3.570 -6.400 1.00 0.00 O ATOM 954 CB ILE 1 61 -0.337 -1.712 -7.470 1.00 0.00 C ATOM 955 CG1 ILE 1 61 0.107 -0.538 -6.648 1.00 0.00 C ATOM 956 CG2 ILE 1 61 -1.583 -1.309 -8.183 1.00 0.00 C ATOM 957 CD1 ILE 1 61 1.250 0.225 -7.221 1.00 0.00 C ATOM 0 H ILE 1 61 -0.070 -2.217 -4.686 1.00 0.00 H new ATOM 0 HA ILE 1 61 -1.565 -3.377 -6.900 1.00 0.00 H new ATOM 0 HB ILE 1 61 0.446 -2.012 -8.167 1.00 0.00 H new ATOM 0 HG12 ILE 1 61 -0.737 0.139 -6.521 1.00 0.00 H new ATOM 0 HG13 ILE 1 61 0.385 -0.891 -5.655 1.00 0.00 H new ATOM 0 HG21 ILE 1 61 -1.365 -0.479 -8.855 1.00 0.00 H new ATOM 0 HG22 ILE 1 61 -1.962 -2.153 -8.759 1.00 0.00 H new ATOM 0 HG23 ILE 1 61 -2.334 -1.000 -7.456 1.00 0.00 H new ATOM 0 HD11 ILE 1 61 1.502 1.054 -6.560 1.00 0.00 H new ATOM 0 HD12 ILE 1 61 2.113 -0.433 -7.322 1.00 0.00 H new ATOM 0 HD13 ILE 1 61 0.973 0.613 -8.201 1.00 0.00 H new ATOM 969 N GLU 1 62 0.026 -5.132 -6.688 1.00 0.00 N ATOM 970 CA GLU 1 62 0.932 -6.263 -6.672 1.00 0.00 C ATOM 971 C GLU 1 62 1.892 -6.279 -7.846 1.00 0.00 C ATOM 972 O GLU 1 62 1.483 -6.301 -9.007 1.00 0.00 O ATOM 973 CB GLU 1 62 0.122 -7.557 -6.648 1.00 0.00 C ATOM 974 CG GLU 1 62 -1.097 -7.546 -7.558 1.00 0.00 C ATOM 975 CD GLU 1 62 -1.472 -8.932 -8.045 1.00 0.00 C ATOM 976 OE1 GLU 1 62 -1.254 -9.904 -7.292 1.00 0.00 O ATOM 977 OE2 GLU 1 62 -1.985 -9.045 -9.178 1.00 0.00 O ATOM 0 H GLU 1 62 -0.952 -5.390 -6.820 1.00 0.00 H new ATOM 0 HA GLU 1 62 1.542 -6.172 -5.774 1.00 0.00 H new ATOM 0 HB2 GLU 1 62 0.770 -8.384 -6.938 1.00 0.00 H new ATOM 0 HB3 GLU 1 62 -0.203 -7.750 -5.626 1.00 0.00 H new ATOM 0 HG2 GLU 1 62 -1.942 -7.112 -7.023 1.00 0.00 H new ATOM 0 HG3 GLU 1 62 -0.899 -6.904 -8.417 1.00 0.00 H new ATOM 984 N VAL 1 63 3.179 -6.298 -7.526 1.00 0.00 N ATOM 985 CA VAL 1 63 4.199 -6.349 -8.549 1.00 0.00 C ATOM 986 C VAL 1 63 4.974 -7.659 -8.463 1.00 0.00 C ATOM 987 O VAL 1 63 4.975 -8.319 -7.424 1.00 0.00 O ATOM 988 CB VAL 1 63 5.193 -5.187 -8.424 1.00 0.00 C ATOM 989 CG1 VAL 1 63 4.545 -3.867 -8.795 1.00 0.00 C ATOM 990 CG2 VAL 1 63 5.793 -5.130 -7.028 1.00 0.00 C ATOM 0 H VAL 1 63 3.534 -6.279 -6.570 1.00 0.00 H new ATOM 0 HA VAL 1 63 3.688 -6.273 -9.509 1.00 0.00 H new ATOM 0 HB VAL 1 63 6.004 -5.366 -9.130 1.00 0.00 H new ATOM 0 HG11 VAL 1 63 5.275 -3.063 -8.696 1.00 0.00 H new ATOM 0 HG12 VAL 1 63 4.192 -3.912 -9.825 1.00 0.00 H new ATOM 0 HG13 VAL 1 63 3.702 -3.676 -8.130 1.00 0.00 H new ATOM 0 HG21 VAL 1 63 6.494 -4.297 -6.967 1.00 0.00 H new ATOM 0 HG22 VAL 1 63 4.998 -4.989 -6.296 1.00 0.00 H new ATOM 0 HG23 VAL 1 63 6.318 -6.062 -6.819 1.00 0.00 H new ATOM 1000 N THR 1 64 5.653 -8.023 -9.547 1.00 0.00 N ATOM 1001 CA THR 1 64 6.444 -9.247 -9.557 1.00 0.00 C ATOM 1002 C THR 1 64 7.808 -8.970 -8.947 1.00 0.00 C ATOM 1003 O THR 1 64 8.187 -7.811 -8.798 1.00 0.00 O ATOM 1004 CB THR 1 64 6.596 -9.811 -10.973 1.00 0.00 C ATOM 1005 OG1 THR 1 64 7.646 -9.164 -11.665 1.00 0.00 O ATOM 1006 CG2 THR 1 64 5.341 -9.692 -11.812 1.00 0.00 C ATOM 0 H THR 1 64 5.671 -7.495 -10.419 1.00 0.00 H new ATOM 0 HA THR 1 64 5.922 -9.998 -8.964 1.00 0.00 H new ATOM 0 HB THR 1 64 6.813 -10.870 -10.834 1.00 0.00 H new ATOM 0 HG1 THR 1 64 7.725 -9.542 -12.566 1.00 0.00 H new ATOM 0 HG21 THR 1 64 5.524 -10.112 -12.801 1.00 0.00 H new ATOM 0 HG22 THR 1 64 4.529 -10.237 -11.331 1.00 0.00 H new ATOM 0 HG23 THR 1 64 5.066 -8.642 -11.909 1.00 0.00 H new ATOM 1014 N SER 1 65 8.528 -10.041 -8.596 1.00 0.00 N ATOM 1015 CA SER 1 65 9.851 -9.951 -7.962 1.00 0.00 C ATOM 1016 C SER 1 65 10.701 -8.807 -8.508 1.00 0.00 C ATOM 1017 O SER 1 65 11.457 -8.183 -7.763 1.00 0.00 O ATOM 1018 CB SER 1 65 10.604 -11.269 -8.150 1.00 0.00 C ATOM 1019 OG SER 1 65 10.194 -11.921 -9.339 1.00 0.00 O ATOM 0 H SER 1 65 8.210 -10.999 -8.744 1.00 0.00 H new ATOM 0 HA SER 1 65 9.678 -9.750 -6.905 1.00 0.00 H new ATOM 0 HB2 SER 1 65 11.676 -11.078 -8.187 1.00 0.00 H new ATOM 0 HB3 SER 1 65 10.426 -11.920 -7.294 1.00 0.00 H new ATOM 0 HG SER 1 65 10.690 -12.760 -9.439 1.00 0.00 H new ATOM 1025 N ASN 1 66 10.589 -8.535 -9.798 1.00 0.00 N ATOM 1026 CA ASN 1 66 11.360 -7.471 -10.407 1.00 0.00 C ATOM 1027 C ASN 1 66 10.721 -6.111 -10.149 1.00 0.00 C ATOM 1028 O ASN 1 66 11.269 -5.070 -10.512 1.00 0.00 O ATOM 1029 CB ASN 1 66 11.461 -7.694 -11.898 1.00 0.00 C ATOM 1030 CG ASN 1 66 12.826 -7.334 -12.451 1.00 0.00 C ATOM 1031 OD1 ASN 1 66 12.995 -6.296 -13.092 1.00 0.00 O ATOM 1032 ND2 ASN 1 66 13.808 -8.192 -12.207 1.00 0.00 N ATOM 0 H ASN 1 66 9.973 -9.036 -10.439 1.00 0.00 H new ATOM 0 HA ASN 1 66 12.354 -7.482 -9.961 1.00 0.00 H new ATOM 0 HB2 ASN 1 66 11.247 -8.739 -12.120 1.00 0.00 H new ATOM 0 HB3 ASN 1 66 10.700 -7.099 -12.403 1.00 0.00 H new ATOM 0 HD21 ASN 1 66 14.748 -8.004 -12.555 1.00 0.00 H new ATOM 0 HD22 ASN 1 66 13.623 -9.040 -11.671 1.00 0.00 H new ATOM 1039 N GLY 1 67 9.548 -6.140 -9.543 1.00 0.00 N ATOM 1040 CA GLY 1 67 8.810 -4.928 -9.259 1.00 0.00 C ATOM 1041 C GLY 1 67 7.874 -4.592 -10.386 1.00 0.00 C ATOM 1042 O GLY 1 67 7.500 -3.436 -10.577 1.00 0.00 O ATOM 0 H GLY 1 67 9.086 -6.996 -9.237 1.00 0.00 H new ATOM 0 HA2 GLY 1 67 8.244 -5.050 -8.335 1.00 0.00 H new ATOM 0 HA3 GLY 1 67 9.505 -4.103 -9.100 1.00 0.00 H new ATOM 1046 N THR 1 68 7.512 -5.614 -11.151 1.00 0.00 N ATOM 1047 CA THR 1 68 6.638 -5.433 -12.283 1.00 0.00 C ATOM 1048 C THR 1 68 5.199 -5.212 -11.836 1.00 0.00 C ATOM 1049 O THR 1 68 4.601 -6.064 -11.186 1.00 0.00 O ATOM 1050 CB THR 1 68 6.749 -6.635 -13.223 1.00 0.00 C ATOM 1051 OG1 THR 1 68 7.581 -6.329 -14.328 1.00 0.00 O ATOM 1052 CG2 THR 1 68 5.422 -7.092 -13.766 1.00 0.00 C ATOM 0 H THR 1 68 7.816 -6.576 -11.000 1.00 0.00 H new ATOM 0 HA THR 1 68 6.948 -4.539 -12.825 1.00 0.00 H new ATOM 0 HB THR 1 68 7.171 -7.437 -12.618 1.00 0.00 H new ATOM 0 HG1 THR 1 68 7.642 -7.109 -14.918 1.00 0.00 H new ATOM 0 HG21 THR 1 68 5.573 -7.947 -14.425 1.00 0.00 H new ATOM 0 HG22 THR 1 68 4.771 -7.381 -12.941 1.00 0.00 H new ATOM 0 HG23 THR 1 68 4.959 -6.280 -14.326 1.00 0.00 H new ATOM 1060 N ARG 1 69 4.658 -4.057 -12.181 1.00 0.00 N ATOM 1061 CA ARG 1 69 3.282 -3.722 -11.826 1.00 0.00 C ATOM 1062 C ARG 1 69 2.303 -4.595 -12.610 1.00 0.00 C ATOM 1063 O ARG 1 69 2.550 -4.930 -13.770 1.00 0.00 O ATOM 1064 CB ARG 1 69 3.002 -2.242 -12.101 1.00 0.00 C ATOM 1065 CG ARG 1 69 3.095 -1.364 -10.865 1.00 0.00 C ATOM 1066 CD ARG 1 69 3.271 0.101 -11.233 1.00 0.00 C ATOM 1067 NE ARG 1 69 2.861 0.990 -10.150 1.00 0.00 N ATOM 1068 CZ ARG 1 69 3.241 2.261 -10.046 1.00 0.00 C ATOM 1069 NH1 ARG 1 69 4.026 2.802 -10.969 1.00 0.00 N ATOM 1070 NH2 ARG 1 69 2.831 2.993 -9.018 1.00 0.00 N ATOM 0 H ARG 1 69 5.147 -3.332 -12.707 1.00 0.00 H new ATOM 0 HA ARG 1 69 3.147 -3.911 -10.761 1.00 0.00 H new ATOM 0 HB2 ARG 1 69 3.709 -1.880 -12.847 1.00 0.00 H new ATOM 0 HB3 ARG 1 69 2.006 -2.144 -12.532 1.00 0.00 H new ATOM 0 HG2 ARG 1 69 2.193 -1.483 -10.264 1.00 0.00 H new ATOM 0 HG3 ARG 1 69 3.934 -1.689 -10.249 1.00 0.00 H new ATOM 0 HD2 ARG 1 69 4.316 0.290 -11.481 1.00 0.00 H new ATOM 0 HD3 ARG 1 69 2.686 0.323 -12.126 1.00 0.00 H new ATOM 0 HE ARG 1 69 2.246 0.614 -9.429 1.00 0.00 H new ATOM 0 HH11 ARG 1 69 4.341 2.243 -11.762 1.00 0.00 H new ATOM 0 HH12 ARG 1 69 4.315 3.777 -10.885 1.00 0.00 H new ATOM 0 HH21 ARG 1 69 2.225 2.581 -8.308 1.00 0.00 H new ATOM 0 HH22 ARG 1 69 3.122 3.967 -8.938 1.00 0.00 H new ATOM 1084 N THR 1 70 1.190 -4.958 -11.978 1.00 0.00 N ATOM 1085 CA THR 1 70 0.181 -5.793 -12.629 1.00 0.00 C ATOM 1086 C THR 1 70 -1.164 -5.703 -11.910 1.00 0.00 C ATOM 1087 O THR 1 70 -1.719 -6.711 -11.472 1.00 0.00 O ATOM 1088 CB THR 1 70 0.652 -7.248 -12.677 1.00 0.00 C ATOM 1089 OG1 THR 1 70 -0.286 -8.055 -13.366 1.00 0.00 O ATOM 1090 CG2 THR 1 70 0.865 -7.858 -11.308 1.00 0.00 C ATOM 0 H THR 1 70 0.963 -4.689 -11.020 1.00 0.00 H new ATOM 0 HA THR 1 70 0.046 -5.424 -13.646 1.00 0.00 H new ATOM 0 HB THR 1 70 1.610 -7.223 -13.196 1.00 0.00 H new ATOM 0 HG1 THR 1 70 -1.146 -8.029 -12.897 1.00 0.00 H new ATOM 0 HG21 THR 1 70 1.198 -8.890 -11.417 1.00 0.00 H new ATOM 0 HG22 THR 1 70 1.622 -7.288 -10.769 1.00 0.00 H new ATOM 0 HG23 THR 1 70 -0.071 -7.836 -10.750 1.00 0.00 H new ATOM 1098 N SER 1 71 -1.681 -4.485 -11.798 1.00 0.00 N ATOM 1099 CA SER 1 71 -2.961 -4.244 -11.135 1.00 0.00 C ATOM 1100 C SER 1 71 -4.146 -4.631 -12.017 1.00 0.00 C ATOM 1101 O SER 1 71 -5.293 -4.603 -11.571 1.00 0.00 O ATOM 1102 CB SER 1 71 -3.072 -2.773 -10.751 1.00 0.00 C ATOM 1103 OG SER 1 71 -2.667 -1.932 -11.816 1.00 0.00 O ATOM 0 H SER 1 71 -1.232 -3.643 -12.159 1.00 0.00 H new ATOM 0 HA SER 1 71 -2.992 -4.870 -10.243 1.00 0.00 H new ATOM 0 HB2 SER 1 71 -4.101 -2.544 -10.475 1.00 0.00 H new ATOM 0 HB3 SER 1 71 -2.455 -2.576 -9.874 1.00 0.00 H new ATOM 0 HG SER 1 71 -2.750 -0.995 -11.542 1.00 0.00 H new ATOM 1109 N ASP 1 72 -3.871 -4.981 -13.270 1.00 0.00 N ATOM 1110 CA ASP 1 72 -4.926 -5.357 -14.206 1.00 0.00 C ATOM 1111 C ASP 1 72 -5.681 -6.610 -13.752 1.00 0.00 C ATOM 1112 O ASP 1 72 -6.674 -6.993 -14.370 1.00 0.00 O ATOM 1113 CB ASP 1 72 -4.333 -5.586 -15.597 1.00 0.00 C ATOM 1114 CG ASP 1 72 -3.177 -6.566 -15.577 1.00 0.00 C ATOM 1115 OD1 ASP 1 72 -2.042 -6.140 -15.276 1.00 0.00 O ATOM 1116 OD2 ASP 1 72 -3.408 -7.760 -15.860 1.00 0.00 O ATOM 0 H ASP 1 72 -2.929 -5.012 -13.660 1.00 0.00 H new ATOM 0 HA ASP 1 72 -5.641 -4.535 -14.239 1.00 0.00 H new ATOM 0 HB2 ASP 1 72 -5.111 -5.959 -16.264 1.00 0.00 H new ATOM 0 HB3 ASP 1 72 -3.992 -4.634 -16.005 1.00 0.00 H new ATOM 1121 N GLN 1 73 -5.216 -7.245 -12.674 1.00 0.00 N ATOM 1122 CA GLN 1 73 -5.862 -8.452 -12.154 1.00 0.00 C ATOM 1123 C GLN 1 73 -6.292 -8.260 -10.697 1.00 0.00 C ATOM 1124 O GLN 1 73 -6.490 -7.132 -10.245 1.00 0.00 O ATOM 1125 CB GLN 1 73 -4.912 -9.647 -12.274 1.00 0.00 C ATOM 1126 CG GLN 1 73 -5.606 -10.932 -12.694 1.00 0.00 C ATOM 1127 CD GLN 1 73 -5.754 -11.048 -14.198 1.00 0.00 C ATOM 1128 OE1 GLN 1 73 -4.829 -11.466 -14.894 1.00 0.00 O ATOM 1129 NE2 GLN 1 73 -6.922 -10.674 -14.708 1.00 0.00 N ATOM 0 H GLN 1 73 -4.397 -6.945 -12.145 1.00 0.00 H new ATOM 0 HA GLN 1 73 -6.756 -8.646 -12.747 1.00 0.00 H new ATOM 0 HB2 GLN 1 73 -4.133 -9.410 -12.999 1.00 0.00 H new ATOM 0 HB3 GLN 1 73 -4.418 -9.806 -11.315 1.00 0.00 H new ATOM 0 HG2 GLN 1 73 -5.040 -11.785 -12.321 1.00 0.00 H new ATOM 0 HG3 GLN 1 73 -6.592 -10.977 -12.231 1.00 0.00 H new ATOM 0 HE21 GLN 1 73 -7.661 -10.333 -14.093 1.00 0.00 H new ATOM 0 HE22 GLN 1 73 -7.080 -10.727 -15.714 1.00 0.00 H new ATOM 1138 N VAL 1 74 -6.445 -9.367 -9.972 1.00 0.00 N ATOM 1139 CA VAL 1 74 -6.860 -9.322 -8.571 1.00 0.00 C ATOM 1140 C VAL 1 74 -5.700 -9.686 -7.649 1.00 0.00 C ATOM 1141 O VAL 1 74 -4.897 -10.566 -7.963 1.00 0.00 O ATOM 1142 CB VAL 1 74 -8.039 -10.284 -8.309 1.00 0.00 C ATOM 1143 CG1 VAL 1 74 -7.653 -11.714 -8.661 1.00 0.00 C ATOM 1144 CG2 VAL 1 74 -8.505 -10.186 -6.862 1.00 0.00 C ATOM 0 H VAL 1 74 -6.287 -10.308 -10.333 1.00 0.00 H new ATOM 0 HA VAL 1 74 -7.181 -8.302 -8.360 1.00 0.00 H new ATOM 0 HB VAL 1 74 -8.870 -9.990 -8.950 1.00 0.00 H new ATOM 0 HG11 VAL 1 74 -8.497 -12.376 -8.469 1.00 0.00 H new ATOM 0 HG12 VAL 1 74 -7.381 -11.768 -9.715 1.00 0.00 H new ATOM 0 HG13 VAL 1 74 -6.804 -12.022 -8.051 1.00 0.00 H new ATOM 0 HG21 VAL 1 74 -9.336 -10.872 -6.700 1.00 0.00 H new ATOM 0 HG22 VAL 1 74 -7.683 -10.449 -6.196 1.00 0.00 H new ATOM 0 HG23 VAL 1 74 -8.830 -9.167 -6.653 1.00 0.00 H new ATOM 1154 N LEU 1 75 -5.608 -8.994 -6.517 1.00 0.00 N ATOM 1155 CA LEU 1 75 -4.537 -9.238 -5.557 1.00 0.00 C ATOM 1156 C LEU 1 75 -4.656 -10.614 -4.922 1.00 0.00 C ATOM 1157 O LEU 1 75 -5.752 -11.148 -4.756 1.00 0.00 O ATOM 1158 CB LEU 1 75 -4.540 -8.169 -4.469 1.00 0.00 C ATOM 1159 CG LEU 1 75 -3.226 -7.406 -4.306 1.00 0.00 C ATOM 1160 CD1 LEU 1 75 -3.489 -5.942 -3.987 1.00 0.00 C ATOM 1161 CD2 LEU 1 75 -2.373 -8.051 -3.226 1.00 0.00 C ATOM 0 H LEU 1 75 -6.262 -8.261 -6.243 1.00 0.00 H new ATOM 0 HA LEU 1 75 -3.595 -9.195 -6.104 1.00 0.00 H new ATOM 0 HB2 LEU 1 75 -5.333 -7.454 -4.687 1.00 0.00 H new ATOM 0 HB3 LEU 1 75 -4.788 -8.641 -3.518 1.00 0.00 H new ATOM 0 HG LEU 1 75 -2.680 -7.451 -5.248 1.00 0.00 H new ATOM 0 HD11 LEU 1 75 -2.540 -5.418 -3.875 1.00 0.00 H new ATOM 0 HD12 LEU 1 75 -4.060 -5.490 -4.798 1.00 0.00 H new ATOM 0 HD13 LEU 1 75 -4.056 -5.868 -3.059 1.00 0.00 H new ATOM 0 HD21 LEU 1 75 -1.440 -7.497 -3.120 1.00 0.00 H new ATOM 0 HD22 LEU 1 75 -2.913 -8.037 -2.279 1.00 0.00 H new ATOM 0 HD23 LEU 1 75 -2.154 -9.082 -3.503 1.00 0.00 H new ATOM 1173 N GLN 1 76 -3.509 -11.160 -4.546 1.00 0.00 N ATOM 1174 CA GLN 1 76 -3.438 -12.460 -3.903 1.00 0.00 C ATOM 1175 C GLN 1 76 -2.178 -12.550 -3.052 1.00 0.00 C ATOM 1176 O GLN 1 76 -1.086 -12.198 -3.497 1.00 0.00 O ATOM 1177 CB GLN 1 76 -3.434 -13.581 -4.945 1.00 0.00 C ATOM 1178 CG GLN 1 76 -4.585 -13.512 -5.935 1.00 0.00 C ATOM 1179 CD GLN 1 76 -4.971 -14.875 -6.472 1.00 0.00 C ATOM 1180 OE1 GLN 1 76 -4.913 -15.121 -7.677 1.00 0.00 O ATOM 1181 NE2 GLN 1 76 -5.370 -15.772 -5.576 1.00 0.00 N ATOM 0 H GLN 1 76 -2.602 -10.713 -4.679 1.00 0.00 H new ATOM 0 HA GLN 1 76 -4.316 -12.577 -3.268 1.00 0.00 H new ATOM 0 HB2 GLN 1 76 -2.493 -13.548 -5.495 1.00 0.00 H new ATOM 0 HB3 GLN 1 76 -3.469 -14.541 -4.430 1.00 0.00 H new ATOM 0 HG2 GLN 1 76 -5.450 -13.058 -5.451 1.00 0.00 H new ATOM 0 HG3 GLN 1 76 -4.307 -12.863 -6.766 1.00 0.00 H new ATOM 0 HE21 GLN 1 76 -5.403 -15.525 -4.587 1.00 0.00 H new ATOM 0 HE22 GLN 1 76 -5.643 -16.707 -5.878 1.00 0.00 H new ATOM 1190 N LYS 1 77 -2.342 -13.026 -1.831 1.00 0.00 N ATOM 1191 CA LYS 1 77 -1.221 -13.164 -0.901 1.00 0.00 C ATOM 1192 C LYS 1 77 -0.353 -14.371 -1.194 1.00 0.00 C ATOM 1193 O LYS 1 77 -0.812 -15.376 -1.738 1.00 0.00 O ATOM 1194 CB LYS 1 77 -1.673 -13.215 0.551 1.00 0.00 C ATOM 1195 CG LYS 1 77 -2.088 -14.601 1.041 1.00 0.00 C ATOM 1196 CD LYS 1 77 -3.594 -14.794 1.012 1.00 0.00 C ATOM 1197 CE LYS 1 77 -4.022 -15.913 1.948 1.00 0.00 C ATOM 1198 NZ LYS 1 77 -5.016 -16.824 1.316 1.00 0.00 N ATOM 0 H LYS 1 77 -3.241 -13.326 -1.454 1.00 0.00 H new ATOM 0 HA LYS 1 77 -0.622 -12.266 -1.054 1.00 0.00 H new ATOM 0 HB2 LYS 1 77 -0.864 -12.848 1.183 1.00 0.00 H new ATOM 0 HB3 LYS 1 77 -2.513 -12.532 0.680 1.00 0.00 H new ATOM 0 HG2 LYS 1 77 -1.614 -15.361 0.419 1.00 0.00 H new ATOM 0 HG3 LYS 1 77 -1.724 -14.749 2.058 1.00 0.00 H new ATOM 0 HD2 LYS 1 77 -4.088 -13.866 1.300 1.00 0.00 H new ATOM 0 HD3 LYS 1 77 -3.915 -15.023 -0.004 1.00 0.00 H new ATOM 0 HE2 LYS 1 77 -3.146 -16.487 2.250 1.00 0.00 H new ATOM 0 HE3 LYS 1 77 -4.450 -15.483 2.854 1.00 0.00 H new ATOM 0 HZ1 LYS 1 77 -5.279 -17.571 1.990 1.00 0.00 H new ATOM 0 HZ2 LYS 1 77 -5.863 -16.283 1.051 1.00 0.00 H new ATOM 0 HZ3 LYS 1 77 -4.600 -17.255 0.466 1.00 0.00 H new ATOM 1212 N GLY 1 78 0.911 -14.252 -0.818 1.00 0.00 N ATOM 1213 CA GLY 1 78 1.849 -15.321 -1.024 1.00 0.00 C ATOM 1214 C GLY 1 78 2.974 -14.901 -1.923 1.00 0.00 C ATOM 1215 O GLY 1 78 3.670 -15.747 -2.487 1.00 0.00 O ATOM 0 H GLY 1 78 1.301 -13.423 -0.370 1.00 0.00 H new ATOM 0 HA2 GLY 1 78 2.251 -15.644 -0.064 1.00 0.00 H new ATOM 0 HA3 GLY 1 78 1.335 -16.178 -1.459 1.00 0.00 H new ATOM 1219 N GLY 1 79 3.162 -13.591 -2.075 1.00 0.00 N ATOM 1220 CA GLY 1 79 4.228 -13.138 -2.937 1.00 0.00 C ATOM 1221 C GLY 1 79 4.807 -11.796 -2.557 1.00 0.00 C ATOM 1222 O GLY 1 79 5.502 -11.664 -1.550 1.00 0.00 O ATOM 0 H GLY 1 79 2.610 -12.858 -1.629 1.00 0.00 H new ATOM 0 HA2 GLY 1 79 5.026 -13.880 -2.929 1.00 0.00 H new ATOM 0 HA3 GLY 1 79 3.854 -13.083 -3.959 1.00 0.00 H new ATOM 1226 N TYR 1 80 4.519 -10.808 -3.386 1.00 0.00 N ATOM 1227 CA TYR 1 80 4.994 -9.454 -3.189 1.00 0.00 C ATOM 1228 C TYR 1 80 4.015 -8.476 -3.806 1.00 0.00 C ATOM 1229 O TYR 1 80 3.246 -8.837 -4.696 1.00 0.00 O ATOM 1230 CB TYR 1 80 6.371 -9.260 -3.836 1.00 0.00 C ATOM 1231 CG TYR 1 80 7.245 -10.493 -3.831 1.00 0.00 C ATOM 1232 CD1 TYR 1 80 7.087 -11.484 -4.792 1.00 0.00 C ATOM 1233 CD2 TYR 1 80 8.233 -10.665 -2.868 1.00 0.00 C ATOM 1234 CE1 TYR 1 80 7.887 -12.612 -4.794 1.00 0.00 C ATOM 1235 CE2 TYR 1 80 9.036 -11.789 -2.863 1.00 0.00 C ATOM 1236 CZ TYR 1 80 8.860 -12.760 -3.827 1.00 0.00 C ATOM 1237 OH TYR 1 80 9.658 -13.882 -3.826 1.00 0.00 O ATOM 0 H TYR 1 80 3.944 -10.926 -4.220 1.00 0.00 H new ATOM 0 HA TYR 1 80 5.079 -9.273 -2.117 1.00 0.00 H new ATOM 0 HB2 TYR 1 80 6.231 -8.933 -4.866 1.00 0.00 H new ATOM 0 HB3 TYR 1 80 6.893 -8.458 -3.315 1.00 0.00 H new ATOM 0 HD1 TYR 1 80 6.326 -11.371 -5.550 1.00 0.00 H new ATOM 0 HD2 TYR 1 80 8.375 -9.907 -2.111 1.00 0.00 H new ATOM 0 HE1 TYR 1 80 7.751 -13.373 -5.548 1.00 0.00 H new ATOM 0 HE2 TYR 1 80 9.799 -11.907 -2.107 1.00 0.00 H new ATOM 0 HH TYR 1 80 10.293 -13.831 -3.081 1.00 0.00 H new ATOM 1247 N PHE 1 81 4.078 -7.234 -3.375 1.00 0.00 N ATOM 1248 CA PHE 1 81 3.221 -6.210 -3.943 1.00 0.00 C ATOM 1249 C PHE 1 81 3.846 -4.863 -3.781 1.00 0.00 C ATOM 1250 O PHE 1 81 4.855 -4.698 -3.129 1.00 0.00 O ATOM 1251 CB PHE 1 81 1.825 -6.176 -3.328 1.00 0.00 C ATOM 1252 CG PHE 1 81 1.823 -6.079 -1.838 1.00 0.00 C ATOM 1253 CD1 PHE 1 81 2.397 -7.081 -1.080 1.00 0.00 C ATOM 1254 CD2 PHE 1 81 1.227 -4.996 -1.191 1.00 0.00 C ATOM 1255 CE1 PHE 1 81 2.380 -7.012 0.299 1.00 0.00 C ATOM 1256 CE2 PHE 1 81 1.214 -4.923 0.176 1.00 0.00 C ATOM 1257 CZ PHE 1 81 1.788 -5.931 0.928 1.00 0.00 C ATOM 0 H PHE 1 81 4.707 -6.909 -2.640 1.00 0.00 H new ATOM 0 HA PHE 1 81 3.111 -6.465 -4.997 1.00 0.00 H new ATOM 0 HB2 PHE 1 81 1.278 -5.327 -3.738 1.00 0.00 H new ATOM 0 HB3 PHE 1 81 1.286 -7.076 -3.625 1.00 0.00 H new ATOM 0 HD1 PHE 1 81 2.862 -7.924 -1.569 1.00 0.00 H new ATOM 0 HD2 PHE 1 81 0.772 -4.209 -1.774 1.00 0.00 H new ATOM 0 HE1 PHE 1 81 2.828 -7.800 0.886 1.00 0.00 H new ATOM 0 HE2 PHE 1 81 0.755 -4.078 0.667 1.00 0.00 H new ATOM 0 HZ PHE 1 81 1.774 -5.875 2.006 1.00 0.00 H new ATOM 1267 N VAL 1 82 3.230 -3.896 -4.368 1.00 0.00 N ATOM 1268 CA VAL 1 82 3.726 -2.558 -4.265 1.00 0.00 C ATOM 1269 C VAL 1 82 2.551 -1.647 -4.043 1.00 0.00 C ATOM 1270 O VAL 1 82 1.601 -1.670 -4.804 1.00 0.00 O ATOM 1271 CB VAL 1 82 4.533 -2.195 -5.537 1.00 0.00 C ATOM 1272 CG1 VAL 1 82 4.106 -0.864 -6.149 1.00 0.00 C ATOM 1273 CG2 VAL 1 82 6.021 -2.178 -5.222 1.00 0.00 C ATOM 0 H VAL 1 82 2.382 -4.001 -4.925 1.00 0.00 H new ATOM 0 HA VAL 1 82 4.411 -2.451 -3.424 1.00 0.00 H new ATOM 0 HB VAL 1 82 4.323 -2.964 -6.280 1.00 0.00 H new ATOM 0 HG11 VAL 1 82 4.706 -0.663 -7.037 1.00 0.00 H new ATOM 0 HG12 VAL 1 82 3.053 -0.912 -6.426 1.00 0.00 H new ATOM 0 HG13 VAL 1 82 4.254 -0.065 -5.422 1.00 0.00 H new ATOM 0 HG21 VAL 1 82 6.580 -1.922 -6.122 1.00 0.00 H new ATOM 0 HG22 VAL 1 82 6.221 -1.437 -4.448 1.00 0.00 H new ATOM 0 HG23 VAL 1 82 6.330 -3.163 -4.871 1.00 0.00 H new ATOM 1283 N ILE 1 83 2.605 -0.863 -2.988 1.00 0.00 N ATOM 1284 CA ILE 1 83 1.513 0.028 -2.674 1.00 0.00 C ATOM 1285 C ILE 1 83 1.492 1.186 -3.633 1.00 0.00 C ATOM 1286 O ILE 1 83 2.407 2.008 -3.651 1.00 0.00 O ATOM 1287 CB ILE 1 83 1.645 0.585 -1.255 1.00 0.00 C ATOM 1288 CG1 ILE 1 83 1.390 -0.492 -0.189 1.00 0.00 C ATOM 1289 CG2 ILE 1 83 0.716 1.772 -1.029 1.00 0.00 C ATOM 1290 CD1 ILE 1 83 1.694 -1.911 -0.618 1.00 0.00 C ATOM 0 H ILE 1 83 3.390 -0.825 -2.337 1.00 0.00 H new ATOM 0 HA ILE 1 83 0.591 -0.547 -2.754 1.00 0.00 H new ATOM 0 HB ILE 1 83 2.675 0.927 -1.153 1.00 0.00 H new ATOM 0 HG12 ILE 1 83 1.991 -0.259 0.690 1.00 0.00 H new ATOM 0 HG13 ILE 1 83 0.345 -0.438 0.116 1.00 0.00 H new ATOM 0 HG21 ILE 1 83 0.838 2.141 -0.010 1.00 0.00 H new ATOM 0 HG22 ILE 1 83 0.962 2.566 -1.734 1.00 0.00 H new ATOM 0 HG23 ILE 1 83 -0.317 1.459 -1.181 1.00 0.00 H new ATOM 0 HD11 ILE 1 83 1.481 -2.593 0.205 1.00 0.00 H new ATOM 0 HD12 ILE 1 83 1.074 -2.172 -1.476 1.00 0.00 H new ATOM 0 HD13 ILE 1 83 2.746 -1.991 -0.892 1.00 0.00 H new ATOM 1302 N ASN 1 84 0.438 1.268 -4.411 1.00 0.00 N ATOM 1303 CA ASN 1 84 0.310 2.353 -5.347 1.00 0.00 C ATOM 1304 C ASN 1 84 0.404 3.678 -4.591 1.00 0.00 C ATOM 1305 O ASN 1 84 -0.474 4.007 -3.793 1.00 0.00 O ATOM 1306 CB ASN 1 84 -1.027 2.262 -6.078 1.00 0.00 C ATOM 1307 CG ASN 1 84 -0.890 2.332 -7.582 1.00 0.00 C ATOM 1308 OD1 ASN 1 84 -1.477 1.532 -8.311 1.00 0.00 O ATOM 1309 ND2 ASN 1 84 -0.114 3.292 -8.057 1.00 0.00 N ATOM 0 H ASN 1 84 -0.335 0.602 -4.413 1.00 0.00 H new ATOM 0 HA ASN 1 84 1.112 2.294 -6.083 1.00 0.00 H new ATOM 0 HB2 ASN 1 84 -1.519 1.327 -5.808 1.00 0.00 H new ATOM 0 HB3 ASN 1 84 -1.674 3.072 -5.741 1.00 0.00 H new ATOM 0 HD21 ASN 1 84 0.017 3.391 -9.064 1.00 0.00 H new ATOM 0 HD22 ASN 1 84 0.354 3.933 -7.417 1.00 0.00 H new ATOM 1316 N PRO 1 85 1.456 4.472 -4.845 1.00 0.00 N ATOM 1317 CA PRO 1 85 1.645 5.781 -4.199 1.00 0.00 C ATOM 1318 C PRO 1 85 0.554 6.718 -4.620 1.00 0.00 C ATOM 1319 O PRO 1 85 0.181 7.654 -3.917 1.00 0.00 O ATOM 1320 CB PRO 1 85 2.975 6.254 -4.772 1.00 0.00 C ATOM 1321 CG PRO 1 85 2.999 5.589 -6.095 1.00 0.00 C ATOM 1322 CD PRO 1 85 2.527 4.202 -5.809 1.00 0.00 C ATOM 0 HA PRO 1 85 1.629 5.735 -3.110 1.00 0.00 H new ATOM 0 HB2 PRO 1 85 3.017 7.340 -4.861 1.00 0.00 H new ATOM 0 HB3 PRO 1 85 3.817 5.952 -4.149 1.00 0.00 H new ATOM 0 HG2 PRO 1 85 2.347 6.094 -6.808 1.00 0.00 H new ATOM 0 HG3 PRO 1 85 4.001 5.589 -6.524 1.00 0.00 H new ATOM 0 HD2 PRO 1 85 2.161 3.697 -6.703 1.00 0.00 H new ATOM 0 HD3 PRO 1 85 3.314 3.576 -5.389 1.00 0.00 H new ATOM 1330 N ASN 1 86 0.051 6.436 -5.792 1.00 0.00 N ATOM 1331 CA ASN 1 86 -1.010 7.218 -6.360 1.00 0.00 C ATOM 1332 C ASN 1 86 -2.316 6.920 -5.640 1.00 0.00 C ATOM 1333 O ASN 1 86 -3.185 7.783 -5.519 1.00 0.00 O ATOM 1334 CB ASN 1 86 -1.123 6.964 -7.857 1.00 0.00 C ATOM 1335 CG ASN 1 86 -0.480 8.061 -8.682 1.00 0.00 C ATOM 1336 OD1 ASN 1 86 -1.161 8.793 -9.400 1.00 0.00 O ATOM 1337 ND2 ASN 1 86 0.838 8.181 -8.582 1.00 0.00 N ATOM 0 H ASN 1 86 0.365 5.661 -6.376 1.00 0.00 H new ATOM 0 HA ASN 1 86 -0.784 8.276 -6.227 1.00 0.00 H new ATOM 0 HB2 ASN 1 86 -0.653 6.010 -8.097 1.00 0.00 H new ATOM 0 HB3 ASN 1 86 -2.175 6.878 -8.129 1.00 0.00 H new ATOM 0 HD21 ASN 1 86 1.326 8.902 -9.113 1.00 0.00 H new ATOM 0 HD22 ASN 1 86 1.363 7.552 -7.974 1.00 0.00 H new ATOM 1344 N ASN 1 87 -2.412 5.713 -5.089 1.00 0.00 N ATOM 1345 CA ASN 1 87 -3.560 5.340 -4.296 1.00 0.00 C ATOM 1346 C ASN 1 87 -3.336 5.883 -2.912 1.00 0.00 C ATOM 1347 O ASN 1 87 -4.149 5.703 -2.012 1.00 0.00 O ATOM 1348 CB ASN 1 87 -3.656 3.850 -4.152 1.00 0.00 C ATOM 1349 CG ASN 1 87 -5.078 3.343 -4.117 1.00 0.00 C ATOM 1350 OD1 ASN 1 87 -5.808 3.558 -3.150 1.00 0.00 O ATOM 1351 ND2 ASN 1 87 -5.470 2.660 -5.176 1.00 0.00 N ATOM 0 H ASN 1 87 -1.705 4.983 -5.182 1.00 0.00 H new ATOM 0 HA ASN 1 87 -4.461 5.723 -4.775 1.00 0.00 H new ATOM 0 HB2 ASN 1 87 -3.130 3.377 -4.981 1.00 0.00 H new ATOM 0 HB3 ASN 1 87 -3.147 3.547 -3.237 1.00 0.00 H new ATOM 0 HD21 ASN 1 87 -6.417 2.283 -5.218 1.00 0.00 H new ATOM 0 HD22 ASN 1 87 -4.826 2.509 -5.953 1.00 0.00 H new ATOM 1358 N VAL 1 88 -2.177 6.497 -2.746 1.00 0.00 N ATOM 1359 CA VAL 1 88 -1.761 7.024 -1.528 1.00 0.00 C ATOM 1360 C VAL 1 88 -1.923 8.504 -1.447 1.00 0.00 C ATOM 1361 O VAL 1 88 -1.485 9.277 -2.299 1.00 0.00 O ATOM 1362 CB VAL 1 88 -0.320 6.705 -1.304 1.00 0.00 C ATOM 1363 CG1 VAL 1 88 0.161 7.496 -0.118 1.00 0.00 C ATOM 1364 CG2 VAL 1 88 -0.200 5.228 -1.084 1.00 0.00 C ATOM 0 H VAL 1 88 -1.503 6.629 -3.500 1.00 0.00 H new ATOM 0 HA VAL 1 88 -2.394 6.570 -0.766 1.00 0.00 H new ATOM 0 HB VAL 1 88 0.297 6.974 -2.161 1.00 0.00 H new ATOM 0 HG11 VAL 1 88 1.213 7.277 0.063 1.00 0.00 H new ATOM 0 HG12 VAL 1 88 0.041 8.561 -0.318 1.00 0.00 H new ATOM 0 HG13 VAL 1 88 -0.423 7.224 0.762 1.00 0.00 H new ATOM 0 HG21 VAL 1 88 0.846 4.969 -0.918 1.00 0.00 H new ATOM 0 HG22 VAL 1 88 -0.788 4.941 -0.212 1.00 0.00 H new ATOM 0 HG23 VAL 1 88 -0.570 4.698 -1.962 1.00 0.00 H new ATOM 1374 N LYS 1 89 -2.521 8.851 -0.370 1.00 0.00 N ATOM 1375 CA LYS 1 89 -2.760 10.213 -0.023 1.00 0.00 C ATOM 1376 C LYS 1 89 -1.595 10.693 0.779 1.00 0.00 C ATOM 1377 O LYS 1 89 -1.092 11.802 0.599 1.00 0.00 O ATOM 1378 CB LYS 1 89 -4.022 10.331 0.803 1.00 0.00 C ATOM 1379 CG LYS 1 89 -5.259 9.819 0.104 1.00 0.00 C ATOM 1380 CD LYS 1 89 -5.129 8.382 -0.336 1.00 0.00 C ATOM 1381 CE LYS 1 89 -4.727 8.228 -1.793 1.00 0.00 C ATOM 1382 NZ LYS 1 89 -4.761 9.507 -2.560 1.00 0.00 N ATOM 0 H LYS 1 89 -2.870 8.183 0.318 1.00 0.00 H new ATOM 0 HA LYS 1 89 -2.882 10.811 -0.926 1.00 0.00 H new ATOM 0 HB2 LYS 1 89 -3.888 9.780 1.734 1.00 0.00 H new ATOM 0 HB3 LYS 1 89 -4.174 11.377 1.070 1.00 0.00 H new ATOM 0 HG2 LYS 1 89 -6.114 9.913 0.773 1.00 0.00 H new ATOM 0 HG3 LYS 1 89 -5.464 10.443 -0.766 1.00 0.00 H new ATOM 0 HD2 LYS 1 89 -4.390 7.884 0.291 1.00 0.00 H new ATOM 0 HD3 LYS 1 89 -6.079 7.873 -0.174 1.00 0.00 H new ATOM 0 HE2 LYS 1 89 -3.721 7.812 -1.842 1.00 0.00 H new ATOM 0 HE3 LYS 1 89 -5.393 7.510 -2.271 1.00 0.00 H new ATOM 0 HZ1 LYS 1 89 -4.559 9.316 -3.562 1.00 0.00 H new ATOM 0 HZ2 LYS 1 89 -5.703 9.939 -2.473 1.00 0.00 H new ATOM 0 HZ3 LYS 1 89 -4.045 10.159 -2.180 1.00 0.00 H new ATOM 1396 N SER 1 90 -1.171 9.822 1.672 1.00 0.00 N ATOM 1397 CA SER 1 90 -0.037 10.135 2.545 1.00 0.00 C ATOM 1398 C SER 1 90 0.208 9.054 3.586 1.00 0.00 C ATOM 1399 O SER 1 90 -0.599 8.156 3.756 1.00 0.00 O ATOM 1400 CB SER 1 90 -0.261 11.479 3.249 1.00 0.00 C ATOM 1401 OG SER 1 90 -0.669 11.299 4.595 1.00 0.00 O ATOM 0 H SER 1 90 -1.583 8.900 1.819 1.00 0.00 H new ATOM 0 HA SER 1 90 0.846 10.191 1.908 1.00 0.00 H new ATOM 0 HB2 SER 1 90 0.659 12.063 3.222 1.00 0.00 H new ATOM 0 HB3 SER 1 90 -1.018 12.051 2.712 1.00 0.00 H new ATOM 0 HG SER 1 90 -0.802 12.174 5.016 1.00 0.00 H new ATOM 1407 N VAL 1 91 1.301 9.200 4.328 1.00 0.00 N ATOM 1408 CA VAL 1 91 1.631 8.304 5.409 1.00 0.00 C ATOM 1409 C VAL 1 91 1.293 9.014 6.721 1.00 0.00 C ATOM 1410 O VAL 1 91 1.505 10.220 6.847 1.00 0.00 O ATOM 1411 CB VAL 1 91 3.115 7.896 5.382 1.00 0.00 C ATOM 1412 CG1 VAL 1 91 3.258 6.500 4.802 1.00 0.00 C ATOM 1413 CG2 VAL 1 91 3.948 8.895 4.588 1.00 0.00 C ATOM 0 H VAL 1 91 1.980 9.949 4.189 1.00 0.00 H new ATOM 0 HA VAL 1 91 1.055 7.385 5.307 1.00 0.00 H new ATOM 0 HB VAL 1 91 3.489 7.895 6.406 1.00 0.00 H new ATOM 0 HG11 VAL 1 91 4.311 6.219 4.786 1.00 0.00 H new ATOM 0 HG12 VAL 1 91 2.702 5.792 5.417 1.00 0.00 H new ATOM 0 HG13 VAL 1 91 2.864 6.486 3.786 1.00 0.00 H new ATOM 0 HG21 VAL 1 91 4.991 8.579 4.587 1.00 0.00 H new ATOM 0 HG22 VAL 1 91 3.582 8.940 3.562 1.00 0.00 H new ATOM 0 HG23 VAL 1 91 3.867 9.881 5.046 1.00 0.00 H new ATOM 1423 N GLY 1 92 0.708 8.292 7.668 1.00 0.00 N ATOM 1424 CA GLY 1 92 0.290 8.884 8.905 1.00 0.00 C ATOM 1425 C GLY 1 92 1.114 8.470 10.092 1.00 0.00 C ATOM 1426 O GLY 1 92 2.060 7.692 9.993 1.00 0.00 O ATOM 0 H GLY 1 92 0.517 7.293 7.590 1.00 0.00 H new ATOM 0 HA2 GLY 1 92 0.331 9.969 8.808 1.00 0.00 H new ATOM 0 HA3 GLY 1 92 -0.751 8.619 9.089 1.00 0.00 H new ATOM 1430 N THR 1 93 0.721 9.026 11.212 1.00 0.00 N ATOM 1431 CA THR 1 93 1.341 8.797 12.494 1.00 0.00 C ATOM 1432 C THR 1 93 1.254 7.351 12.901 1.00 0.00 C ATOM 1433 O THR 1 93 0.240 6.674 12.726 1.00 0.00 O ATOM 1434 CB THR 1 93 0.649 9.680 13.517 1.00 0.00 C ATOM 1435 OG1 THR 1 93 0.082 10.819 12.893 1.00 0.00 O ATOM 1436 CG2 THR 1 93 1.569 10.168 14.593 1.00 0.00 C ATOM 0 H THR 1 93 -0.067 9.673 11.257 1.00 0.00 H new ATOM 0 HA THR 1 93 2.401 9.045 12.432 1.00 0.00 H new ATOM 0 HB THR 1 93 -0.118 9.052 13.970 1.00 0.00 H new ATOM 0 HG1 THR 1 93 -0.361 11.375 13.568 1.00 0.00 H new ATOM 0 HG21 THR 1 93 1.013 10.793 15.291 1.00 0.00 H new ATOM 0 HG22 THR 1 93 1.990 9.315 15.126 1.00 0.00 H new ATOM 0 HG23 THR 1 93 2.374 10.751 14.146 1.00 0.00 H new ATOM 1444 N PRO 1 94 2.365 6.877 13.437 1.00 0.00 N ATOM 1445 CA PRO 1 94 2.538 5.510 13.893 1.00 0.00 C ATOM 1446 C PRO 1 94 1.967 5.253 15.278 1.00 0.00 C ATOM 1447 O PRO 1 94 1.802 6.166 16.087 1.00 0.00 O ATOM 1448 CB PRO 1 94 4.040 5.396 13.892 1.00 0.00 C ATOM 1449 CG PRO 1 94 4.462 6.724 14.376 1.00 0.00 C ATOM 1450 CD PRO 1 94 3.590 7.670 13.640 1.00 0.00 C ATOM 0 HA PRO 1 94 2.015 4.784 13.271 1.00 0.00 H new ATOM 0 HB2 PRO 1 94 4.387 4.597 14.547 1.00 0.00 H new ATOM 0 HB3 PRO 1 94 4.430 5.184 12.896 1.00 0.00 H new ATOM 0 HG2 PRO 1 94 4.330 6.816 15.454 1.00 0.00 H new ATOM 0 HG3 PRO 1 94 5.516 6.908 14.167 1.00 0.00 H new ATOM 0 HD2 PRO 1 94 3.397 8.576 14.215 1.00 0.00 H new ATOM 0 HD3 PRO 1 94 4.034 7.981 12.694 1.00 0.00 H new ATOM 1458 N MET 1 95 1.684 3.989 15.532 1.00 0.00 N ATOM 1459 CA MET 1 95 1.137 3.547 16.810 1.00 0.00 C ATOM 1460 C MET 1 95 1.586 2.124 17.131 1.00 0.00 C ATOM 1461 O MET 1 95 1.575 1.257 16.257 1.00 0.00 O ATOM 1462 CB MET 1 95 -0.391 3.621 16.792 1.00 0.00 C ATOM 1463 CG MET 1 95 -0.925 5.036 16.657 1.00 0.00 C ATOM 1464 SD MET 1 95 -2.406 5.321 17.647 1.00 0.00 S ATOM 1465 CE MET 1 95 -3.679 4.721 16.540 1.00 0.00 C ATOM 0 H MET 1 95 1.826 3.235 14.860 1.00 0.00 H new ATOM 0 HA MET 1 95 1.515 4.213 17.586 1.00 0.00 H new ATOM 0 HB2 MET 1 95 -0.767 3.018 15.965 1.00 0.00 H new ATOM 0 HB3 MET 1 95 -0.780 3.180 17.710 1.00 0.00 H new ATOM 0 HG2 MET 1 95 -0.151 5.742 16.958 1.00 0.00 H new ATOM 0 HG3 MET 1 95 -1.150 5.236 15.609 1.00 0.00 H new ATOM 0 HE1 MET 1 95 -4.556 4.429 17.118 1.00 0.00 H new ATOM 0 HE2 MET 1 95 -3.952 5.509 15.839 1.00 0.00 H new ATOM 0 HE3 MET 1 95 -3.305 3.859 15.988 1.00 0.00 H new ATOM 1475 N LYS 1 96 1.954 1.874 18.382 1.00 0.00 N ATOM 1476 CA LYS 1 96 2.379 0.537 18.791 1.00 0.00 C ATOM 1477 C LYS 1 96 1.174 -0.321 19.160 1.00 0.00 C ATOM 1478 O LYS 1 96 0.369 0.070 20.004 1.00 0.00 O ATOM 1479 CB LYS 1 96 3.342 0.621 19.978 1.00 0.00 C ATOM 1480 CG LYS 1 96 4.443 1.653 19.800 1.00 0.00 C ATOM 1481 CD LYS 1 96 5.819 1.047 20.024 1.00 0.00 C ATOM 1482 CE LYS 1 96 6.149 0.955 21.504 1.00 0.00 C ATOM 1483 NZ LYS 1 96 6.446 2.291 22.089 1.00 0.00 N ATOM 0 H LYS 1 96 1.968 2.571 19.126 1.00 0.00 H new ATOM 0 HA LYS 1 96 2.894 0.073 17.950 1.00 0.00 H new ATOM 0 HB2 LYS 1 96 2.775 0.859 20.878 1.00 0.00 H new ATOM 0 HB3 LYS 1 96 3.796 -0.357 20.136 1.00 0.00 H new ATOM 0 HG2 LYS 1 96 4.389 2.074 18.796 1.00 0.00 H new ATOM 0 HG3 LYS 1 96 4.289 2.475 20.499 1.00 0.00 H new ATOM 0 HD2 LYS 1 96 5.858 0.053 19.578 1.00 0.00 H new ATOM 0 HD3 LYS 1 96 6.572 1.652 19.519 1.00 0.00 H new ATOM 0 HE2 LYS 1 96 5.311 0.504 22.036 1.00 0.00 H new ATOM 0 HE3 LYS 1 96 7.007 0.298 21.645 1.00 0.00 H new ATOM 0 HZ1 LYS 1 96 6.907 2.170 23.014 1.00 0.00 H new ATOM 0 HZ2 LYS 1 96 7.079 2.816 21.452 1.00 0.00 H new ATOM 0 HZ3 LYS 1 96 5.560 2.822 22.210 1.00 0.00 H new ATOM 1497 N GLY 1 97 1.039 -1.490 18.527 1.00 0.00 N ATOM 1498 CA GLY 1 97 -0.094 -2.343 18.837 1.00 0.00 C ATOM 1499 C GLY 1 97 -0.050 -3.702 18.168 1.00 0.00 C ATOM 1500 O GLY 1 97 -0.135 -4.726 18.843 1.00 0.00 O ATOM 0 H GLY 1 97 1.680 -1.852 17.821 1.00 0.00 H new ATOM 0 HA2 GLY 1 97 -0.144 -2.484 19.917 1.00 0.00 H new ATOM 0 HA3 GLY 1 97 -1.010 -1.833 18.539 1.00 0.00 H new ATOM 1504 N SER 1 98 0.060 -3.717 16.843 1.00 0.00 N ATOM 1505 CA SER 1 98 0.098 -4.972 16.102 1.00 0.00 C ATOM 1506 C SER 1 98 1.340 -5.786 16.475 1.00 0.00 C ATOM 1507 O SER 1 98 2.252 -5.948 15.667 1.00 0.00 O ATOM 1508 CB SER 1 98 0.083 -4.695 14.595 1.00 0.00 C ATOM 1509 OG SER 1 98 -1.237 -4.720 14.079 1.00 0.00 O ATOM 0 H SER 1 98 0.124 -2.880 16.264 1.00 0.00 H new ATOM 0 HA SER 1 98 -0.786 -5.553 16.366 1.00 0.00 H new ATOM 0 HB2 SER 1 98 0.534 -3.723 14.397 1.00 0.00 H new ATOM 0 HB3 SER 1 98 0.691 -5.439 14.080 1.00 0.00 H new ATOM 0 HG SER 1 98 -1.542 -5.648 14.005 1.00 0.00 H new ATOM 1515 N GLY 1 99 1.368 -6.297 17.702 1.00 0.00 N ATOM 1516 CA GLY 1 99 2.500 -7.088 18.155 1.00 0.00 C ATOM 1517 C GLY 1 99 3.369 -6.365 19.174 1.00 0.00 C ATOM 1518 O GLY 1 99 3.694 -6.923 20.222 1.00 0.00 O ATOM 0 H GLY 1 99 0.626 -6.178 18.392 1.00 0.00 H new ATOM 0 HA2 GLY 1 99 2.134 -8.016 18.593 1.00 0.00 H new ATOM 0 HA3 GLY 1 99 3.111 -7.361 17.295 1.00 0.00 H new ATOM 1522 N GLY 1 100 3.753 -5.128 18.869 1.00 0.00 N ATOM 1523 CA GLY 1 100 4.586 -4.366 19.774 1.00 0.00 C ATOM 1524 C GLY 1 100 5.396 -3.288 19.072 1.00 0.00 C ATOM 1525 O GLY 1 100 5.935 -2.387 19.714 1.00 0.00 O ATOM 0 H GLY 1 100 3.500 -4.642 18.009 1.00 0.00 H new ATOM 0 HA2 GLY 1 100 3.957 -3.903 20.534 1.00 0.00 H new ATOM 0 HA3 GLY 1 100 5.265 -5.044 20.291 1.00 0.00 H new ATOM 1529 N LEU 1 101 5.481 -3.388 17.752 1.00 0.00 N ATOM 1530 CA LEU 1 101 6.208 -2.458 16.939 1.00 0.00 C ATOM 1531 C LEU 1 101 5.456 -1.167 16.752 1.00 0.00 C ATOM 1532 O LEU 1 101 4.636 -0.773 17.574 1.00 0.00 O ATOM 1533 CB LEU 1 101 6.415 -3.059 15.578 1.00 0.00 C ATOM 1534 CG LEU 1 101 6.554 -4.565 15.500 1.00 0.00 C ATOM 1535 CD1 LEU 1 101 5.215 -5.274 15.425 1.00 0.00 C ATOM 1536 CD2 LEU 1 101 7.310 -4.850 14.264 1.00 0.00 C ATOM 0 H LEU 1 101 5.035 -4.135 17.220 1.00 0.00 H new ATOM 0 HA LEU 1 101 7.152 -2.250 17.442 1.00 0.00 H new ATOM 0 HB2 LEU 1 101 5.576 -2.764 14.947 1.00 0.00 H new ATOM 0 HB3 LEU 1 101 7.311 -2.614 15.145 1.00 0.00 H new ATOM 0 HG LEU 1 101 7.052 -4.925 16.400 1.00 0.00 H new ATOM 0 HD11 LEU 1 101 5.376 -6.351 15.371 1.00 0.00 H new ATOM 0 HD12 LEU 1 101 4.629 -5.039 16.313 1.00 0.00 H new ATOM 0 HD13 LEU 1 101 4.677 -4.943 14.537 1.00 0.00 H new ATOM 0 HD21 LEU 1 101 7.440 -5.927 14.157 1.00 0.00 H new ATOM 0 HD22 LEU 1 101 6.762 -4.464 13.405 1.00 0.00 H new ATOM 0 HD23 LEU 1 101 8.287 -4.370 14.316 1.00 0.00 H new ATOM 1548 N SER 1 102 5.760 -0.536 15.637 1.00 0.00 N ATOM 1549 CA SER 1 102 5.150 0.697 15.233 1.00 0.00 C ATOM 1550 C SER 1 102 4.384 0.488 13.940 1.00 0.00 C ATOM 1551 O SER 1 102 4.954 0.101 12.924 1.00 0.00 O ATOM 1552 CB SER 1 102 6.210 1.754 15.073 1.00 0.00 C ATOM 1553 OG SER 1 102 6.365 2.510 16.262 1.00 0.00 O ATOM 0 H SER 1 102 6.456 -0.881 14.976 1.00 0.00 H new ATOM 0 HA SER 1 102 4.446 1.030 15.996 1.00 0.00 H new ATOM 0 HB2 SER 1 102 7.158 1.285 14.811 1.00 0.00 H new ATOM 0 HB3 SER 1 102 5.945 2.417 14.250 1.00 0.00 H new ATOM 0 HG SER 1 102 7.061 3.188 16.130 1.00 0.00 H new ATOM 1559 N TRP 1 103 3.096 0.727 14.005 1.00 0.00 N ATOM 1560 CA TRP 1 103 2.200 0.571 12.891 1.00 0.00 C ATOM 1561 C TRP 1 103 1.537 1.910 12.648 1.00 0.00 C ATOM 1562 O TRP 1 103 0.889 2.464 13.529 1.00 0.00 O ATOM 1563 CB TRP 1 103 1.206 -0.509 13.236 1.00 0.00 C ATOM 1564 CG TRP 1 103 1.923 -1.784 13.564 1.00 0.00 C ATOM 1565 CD1 TRP 1 103 2.900 -1.911 14.494 1.00 0.00 C ATOM 1566 CD2 TRP 1 103 1.786 -3.086 12.958 1.00 0.00 C ATOM 1567 NE1 TRP 1 103 3.411 -3.164 14.476 1.00 0.00 N ATOM 1568 CE2 TRP 1 103 2.738 -3.921 13.565 1.00 0.00 C ATOM 1569 CE3 TRP 1 103 0.967 -3.636 11.974 1.00 0.00 C ATOM 1570 CZ2 TRP 1 103 2.896 -5.260 13.213 1.00 0.00 C ATOM 1571 CZ3 TRP 1 103 1.124 -4.966 11.634 1.00 0.00 C ATOM 1572 CH2 TRP 1 103 2.084 -5.760 12.250 1.00 0.00 C ATOM 0 H TRP 1 103 2.633 1.043 14.857 1.00 0.00 H new ATOM 0 HA TRP 1 103 2.714 0.271 11.978 1.00 0.00 H new ATOM 0 HB2 TRP 1 103 0.598 -0.196 14.085 1.00 0.00 H new ATOM 0 HB3 TRP 1 103 0.527 -0.670 12.399 1.00 0.00 H new ATOM 0 HD1 TRP 1 103 3.225 -1.123 15.157 1.00 0.00 H new ATOM 0 HE1 TRP 1 103 4.183 -3.492 15.056 1.00 0.00 H new ATOM 0 HE3 TRP 1 103 0.219 -3.031 11.483 1.00 0.00 H new ATOM 0 HZ2 TRP 1 103 3.641 -5.879 13.692 1.00 0.00 H new ATOM 0 HZ3 TRP 1 103 0.488 -5.397 10.875 1.00 0.00 H new ATOM 0 HH2 TRP 1 103 2.185 -6.794 11.956 1.00 0.00 H new ATOM 1583 N ALA 1 104 1.773 2.452 11.479 1.00 0.00 N ATOM 1584 CA ALA 1 104 1.272 3.778 11.140 1.00 0.00 C ATOM 1585 C ALA 1 104 0.097 3.795 10.203 1.00 0.00 C ATOM 1586 O ALA 1 104 -0.066 2.935 9.341 1.00 0.00 O ATOM 1587 CB ALA 1 104 2.385 4.651 10.595 1.00 0.00 C ATOM 0 H ALA 1 104 2.310 2.001 10.738 1.00 0.00 H new ATOM 0 HA ALA 1 104 0.900 4.183 12.081 1.00 0.00 H new ATOM 0 HB1 ALA 1 104 1.988 5.636 10.349 1.00 0.00 H new ATOM 0 HB2 ALA 1 104 3.168 4.753 11.346 1.00 0.00 H new ATOM 0 HB3 ALA 1 104 2.801 4.193 9.698 1.00 0.00 H new ATOM 1593 N GLN 1 105 -0.717 4.819 10.417 1.00 0.00 N ATOM 1594 CA GLN 1 105 -1.904 5.055 9.655 1.00 0.00 C ATOM 1595 C GLN 1 105 -1.599 5.741 8.339 1.00 0.00 C ATOM 1596 O GLN 1 105 -1.392 6.942 8.323 1.00 0.00 O ATOM 1597 CB GLN 1 105 -2.836 5.950 10.448 1.00 0.00 C ATOM 1598 CG GLN 1 105 -4.264 5.745 10.056 1.00 0.00 C ATOM 1599 CD GLN 1 105 -5.261 6.350 11.025 1.00 0.00 C ATOM 1600 OE1 GLN 1 105 -4.939 7.272 11.775 1.00 0.00 O ATOM 1601 NE2 GLN 1 105 -6.486 5.834 11.010 1.00 0.00 N ATOM 0 H GLN 1 105 -0.554 5.516 11.144 1.00 0.00 H new ATOM 0 HA GLN 1 105 -2.363 4.088 9.449 1.00 0.00 H new ATOM 0 HB2 GLN 1 105 -2.718 5.747 11.512 1.00 0.00 H new ATOM 0 HB3 GLN 1 105 -2.561 6.993 10.290 1.00 0.00 H new ATOM 0 HG2 GLN 1 105 -4.425 6.177 9.068 1.00 0.00 H new ATOM 0 HG3 GLN 1 105 -4.457 4.676 9.972 1.00 0.00 H new ATOM 0 HE21 GLN 1 105 -6.710 5.070 10.372 1.00 0.00 H new ATOM 0 HE22 GLN 1 105 -7.202 6.202 11.636 1.00 0.00 H new ATOM 1610 N VAL 1 106 -1.606 5.016 7.233 1.00 0.00 N ATOM 1611 CA VAL 1 106 -1.345 5.627 5.964 1.00 0.00 C ATOM 1612 C VAL 1 106 -2.669 5.912 5.272 1.00 0.00 C ATOM 1613 O VAL 1 106 -3.605 5.116 5.340 1.00 0.00 O ATOM 1614 CB VAL 1 106 -0.397 4.744 5.132 1.00 0.00 C ATOM 1615 CG1 VAL 1 106 -0.379 5.152 3.681 1.00 0.00 C ATOM 1616 CG2 VAL 1 106 1.001 4.829 5.714 1.00 0.00 C ATOM 0 H VAL 1 106 -1.789 4.013 7.199 1.00 0.00 H new ATOM 0 HA VAL 1 106 -0.832 6.580 6.092 1.00 0.00 H new ATOM 0 HB VAL 1 106 -0.760 3.717 5.176 1.00 0.00 H new ATOM 0 HG11 VAL 1 106 0.302 4.504 3.129 1.00 0.00 H new ATOM 0 HG12 VAL 1 106 -1.383 5.062 3.265 1.00 0.00 H new ATOM 0 HG13 VAL 1 106 -0.044 6.186 3.598 1.00 0.00 H new ATOM 0 HG21 VAL 1 106 1.677 4.206 5.129 1.00 0.00 H new ATOM 0 HG22 VAL 1 106 1.345 5.863 5.686 1.00 0.00 H new ATOM 0 HG23 VAL 1 106 0.987 4.480 6.746 1.00 0.00 H new ATOM 1626 N ASN 1 107 -2.756 7.073 4.656 1.00 0.00 N ATOM 1627 CA ASN 1 107 -3.969 7.504 4.003 1.00 0.00 C ATOM 1628 C ASN 1 107 -4.006 7.028 2.570 1.00 0.00 C ATOM 1629 O ASN 1 107 -3.368 7.609 1.698 1.00 0.00 O ATOM 1630 CB ASN 1 107 -4.062 9.032 4.029 1.00 0.00 C ATOM 1631 CG ASN 1 107 -5.082 9.536 5.030 1.00 0.00 C ATOM 1632 OD1 ASN 1 107 -4.743 10.246 5.977 1.00 0.00 O ATOM 1633 ND2 ASN 1 107 -6.342 9.168 4.826 1.00 0.00 N ATOM 0 H ASN 1 107 -1.988 7.741 4.595 1.00 0.00 H new ATOM 0 HA ASN 1 107 -4.815 7.074 4.540 1.00 0.00 H new ATOM 0 HB2 ASN 1 107 -3.084 9.448 4.271 1.00 0.00 H new ATOM 0 HB3 ASN 1 107 -4.325 9.393 3.035 1.00 0.00 H new ATOM 0 HD21 ASN 1 107 -7.073 9.475 5.468 1.00 0.00 H new ATOM 0 HD22 ASN 1 107 -6.578 8.579 4.028 1.00 0.00 H new ATOM 1640 N PHE 1 108 -4.770 5.983 2.339 1.00 0.00 N ATOM 1641 CA PHE 1 108 -4.940 5.434 1.055 1.00 0.00 C ATOM 1642 C PHE 1 108 -6.254 5.909 0.466 1.00 0.00 C ATOM 1643 O PHE 1 108 -7.172 6.322 1.168 1.00 0.00 O ATOM 1644 CB PHE 1 108 -4.992 3.915 1.117 1.00 0.00 C ATOM 1645 CG PHE 1 108 -3.692 3.197 1.327 1.00 0.00 C ATOM 1646 CD1 PHE 1 108 -2.956 3.372 2.483 1.00 0.00 C ATOM 1647 CD2 PHE 1 108 -3.236 2.298 0.380 1.00 0.00 C ATOM 1648 CE1 PHE 1 108 -1.781 2.670 2.686 1.00 0.00 C ATOM 1649 CE2 PHE 1 108 -2.075 1.587 0.579 1.00 0.00 C ATOM 1650 CZ PHE 1 108 -1.342 1.774 1.733 1.00 0.00 C ATOM 0 H PHE 1 108 -5.292 5.497 3.068 1.00 0.00 H new ATOM 0 HA PHE 1 108 -4.096 5.753 0.444 1.00 0.00 H new ATOM 0 HB2 PHE 1 108 -5.669 3.632 1.923 1.00 0.00 H new ATOM 0 HB3 PHE 1 108 -5.433 3.553 0.188 1.00 0.00 H new ATOM 0 HD1 PHE 1 108 -3.302 4.064 3.236 1.00 0.00 H new ATOM 0 HD2 PHE 1 108 -3.800 2.152 -0.529 1.00 0.00 H new ATOM 0 HE1 PHE 1 108 -1.208 2.823 3.589 1.00 0.00 H new ATOM 0 HE2 PHE 1 108 -1.738 0.883 -0.167 1.00 0.00 H new ATOM 0 HZ PHE 1 108 -0.428 1.221 1.890 1.00 0.00 H new ATOM 1660 N THR 1 109 -6.298 5.845 -0.833 1.00 0.00 N ATOM 1661 CA THR 1 109 -7.444 6.259 -1.630 1.00 0.00 C ATOM 1662 C THR 1 109 -8.741 5.517 -1.298 1.00 0.00 C ATOM 1663 O THR 1 109 -9.736 6.121 -0.896 1.00 0.00 O ATOM 1664 CB THR 1 109 -7.089 6.117 -3.106 1.00 0.00 C ATOM 1665 OG1 THR 1 109 -7.254 7.349 -3.783 1.00 0.00 O ATOM 1666 CG2 THR 1 109 -7.910 5.092 -3.819 1.00 0.00 C ATOM 0 H THR 1 109 -5.522 5.495 -1.394 1.00 0.00 H new ATOM 0 HA THR 1 109 -7.652 7.300 -1.384 1.00 0.00 H new ATOM 0 HB THR 1 109 -6.048 5.795 -3.121 1.00 0.00 H new ATOM 0 HG1 THR 1 109 -7.020 7.237 -4.728 1.00 0.00 H new ATOM 0 HG21 THR 1 109 -7.604 5.044 -4.864 1.00 0.00 H new ATOM 0 HG22 THR 1 109 -7.762 4.118 -3.352 1.00 0.00 H new ATOM 0 HG23 THR 1 109 -8.964 5.365 -3.761 1.00 0.00 H new ATOM 1674 N THR 1 110 -8.720 4.213 -1.514 1.00 0.00 N ATOM 1675 CA THR 1 110 -9.882 3.362 -1.294 1.00 0.00 C ATOM 1676 C THR 1 110 -9.929 2.928 0.138 1.00 0.00 C ATOM 1677 O THR 1 110 -10.964 2.982 0.800 1.00 0.00 O ATOM 1678 CB THR 1 110 -9.837 2.142 -2.208 1.00 0.00 C ATOM 1679 OG1 THR 1 110 -8.937 2.340 -3.283 1.00 0.00 O ATOM 1680 CG2 THR 1 110 -11.185 1.786 -2.796 1.00 0.00 C ATOM 0 H THR 1 110 -7.897 3.712 -1.847 1.00 0.00 H new ATOM 0 HA THR 1 110 -10.781 3.933 -1.527 1.00 0.00 H new ATOM 0 HB THR 1 110 -9.506 1.323 -1.570 1.00 0.00 H new ATOM 0 HG1 THR 1 110 -8.795 1.491 -3.751 1.00 0.00 H new ATOM 0 HG21 THR 1 110 -11.083 0.910 -3.436 1.00 0.00 H new ATOM 0 HG22 THR 1 110 -11.887 1.568 -1.991 1.00 0.00 H new ATOM 0 HG23 THR 1 110 -11.558 2.624 -3.385 1.00 0.00 H new ATOM 1688 N GLY 1 111 -8.778 2.507 0.603 1.00 0.00 N ATOM 1689 CA GLY 1 111 -8.659 2.069 1.958 1.00 0.00 C ATOM 1690 C GLY 1 111 -8.684 3.221 2.933 1.00 0.00 C ATOM 1691 O GLY 1 111 -8.625 3.001 4.142 1.00 0.00 O ATOM 0 H GLY 1 111 -7.916 2.461 0.059 1.00 0.00 H new ATOM 0 HA2 GLY 1 111 -9.473 1.382 2.189 1.00 0.00 H new ATOM 0 HA3 GLY 1 111 -7.729 1.513 2.078 1.00 0.00 H new ATOM 1695 N GLY 1 112 -8.760 4.460 2.416 1.00 0.00 N ATOM 1696 CA GLY 1 112 -8.769 5.615 3.290 1.00 0.00 C ATOM 1697 C GLY 1 112 -7.681 5.492 4.328 1.00 0.00 C ATOM 1698 O GLY 1 112 -6.544 5.832 4.080 1.00 0.00 O ATOM 0 H GLY 1 112 -8.814 4.671 1.420 1.00 0.00 H new ATOM 0 HA2 GLY 1 112 -8.623 6.523 2.706 1.00 0.00 H new ATOM 0 HA3 GLY 1 112 -9.739 5.703 3.779 1.00 0.00 H new ATOM 1702 N ASN 1 113 -8.012 4.943 5.468 1.00 0.00 N ATOM 1703 CA ASN 1 113 -7.022 4.702 6.487 1.00 0.00 C ATOM 1704 C ASN 1 113 -6.484 3.287 6.295 1.00 0.00 C ATOM 1705 O ASN 1 113 -7.258 2.339 6.168 1.00 0.00 O ATOM 1706 CB ASN 1 113 -7.624 4.871 7.879 1.00 0.00 C ATOM 1707 CG ASN 1 113 -9.060 4.398 7.957 1.00 0.00 C ATOM 1708 OD1 ASN 1 113 -9.933 5.087 8.483 1.00 0.00 O ATOM 1709 ND2 ASN 1 113 -9.301 3.207 7.427 1.00 0.00 N ATOM 0 H ASN 1 113 -8.959 4.654 5.715 1.00 0.00 H new ATOM 0 HA ASN 1 113 -6.211 5.425 6.399 1.00 0.00 H new ATOM 0 HB2 ASN 1 113 -7.024 4.316 8.600 1.00 0.00 H new ATOM 0 HB3 ASN 1 113 -7.576 5.921 8.166 1.00 0.00 H new ATOM 0 HD21 ASN 1 113 -10.246 2.823 7.444 1.00 0.00 H new ATOM 0 HD22 ASN 1 113 -8.542 2.675 7.002 1.00 0.00 H new ATOM 1716 N VAL 1 114 -5.179 3.136 6.276 1.00 0.00 N ATOM 1717 CA VAL 1 114 -4.568 1.830 6.113 1.00 0.00 C ATOM 1718 C VAL 1 114 -3.309 1.796 6.923 1.00 0.00 C ATOM 1719 O VAL 1 114 -2.396 2.577 6.675 1.00 0.00 O ATOM 1720 CB VAL 1 114 -4.221 1.511 4.657 1.00 0.00 C ATOM 1721 CG1 VAL 1 114 -3.971 0.025 4.503 1.00 0.00 C ATOM 1722 CG2 VAL 1 114 -5.317 1.982 3.716 1.00 0.00 C ATOM 0 H VAL 1 114 -4.515 3.904 6.372 1.00 0.00 H new ATOM 0 HA VAL 1 114 -5.289 1.084 6.446 1.00 0.00 H new ATOM 0 HB VAL 1 114 -3.311 2.048 4.389 1.00 0.00 H new ATOM 0 HG11 VAL 1 114 -3.724 -0.197 3.465 1.00 0.00 H new ATOM 0 HG12 VAL 1 114 -3.142 -0.273 5.145 1.00 0.00 H new ATOM 0 HG13 VAL 1 114 -4.867 -0.526 4.789 1.00 0.00 H new ATOM 0 HG21 VAL 1 114 -5.043 1.742 2.689 1.00 0.00 H new ATOM 0 HG22 VAL 1 114 -6.252 1.482 3.968 1.00 0.00 H new ATOM 0 HG23 VAL 1 114 -5.443 3.060 3.815 1.00 0.00 H new ATOM 1732 N TRP 1 115 -3.248 0.927 7.897 1.00 0.00 N ATOM 1733 CA TRP 1 115 -2.073 0.882 8.731 1.00 0.00 C ATOM 1734 C TRP 1 115 -1.048 -0.098 8.247 1.00 0.00 C ATOM 1735 O TRP 1 115 -1.347 -1.055 7.533 1.00 0.00 O ATOM 1736 CB TRP 1 115 -2.433 0.605 10.167 1.00 0.00 C ATOM 1737 CG TRP 1 115 -3.264 1.661 10.727 1.00 0.00 C ATOM 1738 CD1 TRP 1 115 -4.540 1.945 10.391 1.00 0.00 C ATOM 1739 CD2 TRP 1 115 -2.868 2.609 11.693 1.00 0.00 C ATOM 1740 NE1 TRP 1 115 -4.981 2.979 11.136 1.00 0.00 N ATOM 1741 CE2 TRP 1 115 -3.968 3.416 11.934 1.00 0.00 C ATOM 1742 CE3 TRP 1 115 -1.689 2.839 12.387 1.00 0.00 C ATOM 1743 CZ2 TRP 1 115 -3.944 4.444 12.834 1.00 0.00 C ATOM 1744 CZ3 TRP 1 115 -1.654 3.878 13.297 1.00 0.00 C ATOM 1745 CH2 TRP 1 115 -2.784 4.675 13.513 1.00 0.00 C ATOM 0 H TRP 1 115 -3.979 0.255 8.131 1.00 0.00 H new ATOM 0 HA TRP 1 115 -1.619 1.871 8.667 1.00 0.00 H new ATOM 0 HB2 TRP 1 115 -2.960 -0.347 10.233 1.00 0.00 H new ATOM 0 HB3 TRP 1 115 -1.522 0.506 10.758 1.00 0.00 H new ATOM 0 HD1 TRP 1 115 -5.118 1.425 9.642 1.00 0.00 H new ATOM 0 HE1 TRP 1 115 -5.922 3.371 11.106 1.00 0.00 H new ATOM 0 HE3 TRP 1 115 -0.819 2.221 12.220 1.00 0.00 H new ATOM 0 HZ2 TRP 1 115 -4.818 5.056 13.003 1.00 0.00 H new ATOM 0 HZ3 TRP 1 115 -0.746 4.077 13.847 1.00 0.00 H new ATOM 0 HH2 TRP 1 115 -2.737 5.484 14.227 1.00 0.00 H new ATOM 1756 N LEU 1 116 0.171 0.172 8.648 1.00 0.00 N ATOM 1757 CA LEU 1 116 1.289 -0.643 8.280 1.00 0.00 C ATOM 1758 C LEU 1 116 2.345 -0.508 9.328 1.00 0.00 C ATOM 1759 O LEU 1 116 2.561 0.587 9.834 1.00 0.00 O ATOM 1760 CB LEU 1 116 1.855 -0.169 6.949 1.00 0.00 C ATOM 1761 CG LEU 1 116 2.167 -1.282 5.948 1.00 0.00 C ATOM 1762 CD1 LEU 1 116 0.938 -1.599 5.109 1.00 0.00 C ATOM 1763 CD2 LEU 1 116 3.336 -0.888 5.062 1.00 0.00 C ATOM 0 H LEU 1 116 0.410 0.967 9.241 1.00 0.00 H new ATOM 0 HA LEU 1 116 0.970 -1.682 8.190 1.00 0.00 H new ATOM 0 HB2 LEU 1 116 1.144 0.520 6.493 1.00 0.00 H new ATOM 0 HB3 LEU 1 116 2.768 0.395 7.139 1.00 0.00 H new ATOM 0 HG LEU 1 116 2.446 -2.179 6.501 1.00 0.00 H new ATOM 0 HD11 LEU 1 116 1.176 -2.393 4.401 1.00 0.00 H new ATOM 0 HD12 LEU 1 116 0.127 -1.924 5.760 1.00 0.00 H new ATOM 0 HD13 LEU 1 116 0.630 -0.707 4.564 1.00 0.00 H new ATOM 0 HD21 LEU 1 116 3.544 -1.692 4.356 1.00 0.00 H new ATOM 0 HD22 LEU 1 116 3.087 0.021 4.514 1.00 0.00 H new ATOM 0 HD23 LEU 1 116 4.217 -0.710 5.679 1.00 0.00 H new ATOM 1775 N ASN 1 117 3.044 -1.576 9.635 1.00 0.00 N ATOM 1776 CA ASN 1 117 4.083 -1.433 10.619 1.00 0.00 C ATOM 1777 C ASN 1 117 5.105 -0.521 10.044 1.00 0.00 C ATOM 1778 O ASN 1 117 5.886 -0.826 9.143 1.00 0.00 O ATOM 1779 CB ASN 1 117 4.626 -2.722 11.117 1.00 0.00 C ATOM 1780 CG ASN 1 117 6.109 -2.719 11.438 1.00 0.00 C ATOM 1781 OD1 ASN 1 117 6.953 -2.825 10.549 1.00 0.00 O ATOM 1782 ND2 ASN 1 117 6.422 -2.613 12.726 1.00 0.00 N ATOM 0 H ASN 1 117 2.921 -2.508 9.239 1.00 0.00 H new ATOM 0 HA ASN 1 117 3.673 -0.995 11.529 1.00 0.00 H new ATOM 0 HB2 ASN 1 117 4.077 -3.006 12.015 1.00 0.00 H new ATOM 0 HB3 ASN 1 117 4.434 -3.492 10.369 1.00 0.00 H new ATOM 0 HD21 ASN 1 117 7.400 -2.617 13.015 1.00 0.00 H new ATOM 0 HD22 ASN 1 117 5.684 -2.527 13.425 1.00 0.00 H new ATOM 1789 N THR 1 118 4.939 0.641 10.558 1.00 0.00 N ATOM 1790 CA THR 1 118 5.656 1.828 10.178 1.00 0.00 C ATOM 1791 C THR 1 118 7.061 1.872 10.701 1.00 0.00 C ATOM 1792 O THR 1 118 7.702 2.924 10.678 1.00 0.00 O ATOM 1793 CB THR 1 118 4.867 3.006 10.675 1.00 0.00 C ATOM 1794 OG1 THR 1 118 5.305 4.211 10.068 1.00 0.00 O ATOM 1795 CG2 THR 1 118 4.954 3.170 12.169 1.00 0.00 C ATOM 0 H THR 1 118 4.261 0.812 11.301 1.00 0.00 H new ATOM 0 HA THR 1 118 5.756 1.842 9.093 1.00 0.00 H new ATOM 0 HB THR 1 118 3.831 2.803 10.404 1.00 0.00 H new ATOM 0 HG1 THR 1 118 6.283 4.259 10.105 1.00 0.00 H new ATOM 0 HG21 THR 1 118 4.366 4.035 12.475 1.00 0.00 H new ATOM 0 HG22 THR 1 118 4.565 2.276 12.656 1.00 0.00 H new ATOM 0 HG23 THR 1 118 5.994 3.317 12.459 1.00 0.00 H new ATOM 1803 N THR 1 119 7.552 0.745 11.163 1.00 0.00 N ATOM 1804 CA THR 1 119 8.922 0.703 11.656 1.00 0.00 C ATOM 1805 C THR 1 119 9.923 1.038 10.522 1.00 0.00 C ATOM 1806 O THR 1 119 11.106 0.710 10.613 1.00 0.00 O ATOM 1807 CB THR 1 119 9.238 -0.673 12.252 1.00 0.00 C ATOM 1808 OG1 THR 1 119 10.467 -0.643 12.956 1.00 0.00 O ATOM 1809 CG2 THR 1 119 9.330 -1.774 11.218 1.00 0.00 C ATOM 0 H THR 1 119 7.044 -0.138 11.211 1.00 0.00 H new ATOM 0 HA THR 1 119 9.023 1.454 12.440 1.00 0.00 H new ATOM 0 HB THR 1 119 8.403 -0.894 12.917 1.00 0.00 H new ATOM 0 HG1 THR 1 119 11.135 -0.160 12.427 1.00 0.00 H new ATOM 0 HG21 THR 1 119 9.556 -2.719 11.712 1.00 0.00 H new ATOM 0 HG22 THR 1 119 8.380 -1.858 10.691 1.00 0.00 H new ATOM 0 HG23 THR 1 119 10.121 -1.539 10.505 1.00 0.00 H new ATOM 1817 N SER 1 120 9.436 1.724 9.467 1.00 0.00 N ATOM 1818 CA SER 1 120 10.232 2.144 8.346 1.00 0.00 C ATOM 1819 C SER 1 120 9.334 2.982 7.443 1.00 0.00 C ATOM 1820 O SER 1 120 8.251 2.559 7.071 1.00 0.00 O ATOM 1821 CB SER 1 120 10.803 0.946 7.587 1.00 0.00 C ATOM 1822 OG SER 1 120 12.125 0.658 8.010 1.00 0.00 O ATOM 0 H SER 1 120 8.456 1.996 9.390 1.00 0.00 H new ATOM 0 HA SER 1 120 11.086 2.728 8.689 1.00 0.00 H new ATOM 0 HB2 SER 1 120 10.169 0.074 7.747 1.00 0.00 H new ATOM 0 HB3 SER 1 120 10.797 1.153 6.517 1.00 0.00 H new ATOM 0 HG SER 1 120 12.147 0.582 8.987 1.00 0.00 H new ATOM 1828 N LYS 1 121 9.766 4.178 7.123 1.00 0.00 N ATOM 1829 CA LYS 1 121 8.981 5.070 6.288 1.00 0.00 C ATOM 1830 C LYS 1 121 9.048 4.585 4.853 1.00 0.00 C ATOM 1831 O LYS 1 121 8.039 4.489 4.143 1.00 0.00 O ATOM 1832 CB LYS 1 121 9.508 6.479 6.447 1.00 0.00 C ATOM 1833 CG LYS 1 121 8.844 7.495 5.531 1.00 0.00 C ATOM 1834 CD LYS 1 121 9.867 8.382 4.836 1.00 0.00 C ATOM 1835 CE LYS 1 121 9.542 9.855 5.027 1.00 0.00 C ATOM 1836 NZ LYS 1 121 10.747 10.718 4.878 1.00 0.00 N ATOM 0 H LYS 1 121 10.661 4.562 7.427 1.00 0.00 H new ATOM 0 HA LYS 1 121 7.933 5.073 6.587 1.00 0.00 H new ATOM 0 HB2 LYS 1 121 9.370 6.793 7.482 1.00 0.00 H new ATOM 0 HB3 LYS 1 121 10.581 6.478 6.255 1.00 0.00 H new ATOM 0 HG2 LYS 1 121 8.246 6.974 4.783 1.00 0.00 H new ATOM 0 HG3 LYS 1 121 8.160 8.115 6.111 1.00 0.00 H new ATOM 0 HD2 LYS 1 121 10.861 8.173 5.231 1.00 0.00 H new ATOM 0 HD3 LYS 1 121 9.891 8.148 3.772 1.00 0.00 H new ATOM 0 HE2 LYS 1 121 8.788 10.157 4.300 1.00 0.00 H new ATOM 0 HE3 LYS 1 121 9.109 10.005 6.016 1.00 0.00 H new ATOM 0 HZ1 LYS 1 121 10.480 11.714 5.016 1.00 0.00 H new ATOM 0 HZ2 LYS 1 121 11.457 10.448 5.588 1.00 0.00 H new ATOM 0 HZ3 LYS 1 121 11.146 10.595 3.926 1.00 0.00 H new ATOM 1850 N ASP 1 122 10.238 4.173 4.455 1.00 0.00 N ATOM 1851 CA ASP 1 122 10.417 3.585 3.167 1.00 0.00 C ATOM 1852 C ASP 1 122 9.661 2.263 3.155 1.00 0.00 C ATOM 1853 O ASP 1 122 9.624 1.571 2.158 1.00 0.00 O ATOM 1854 CB ASP 1 122 11.887 3.379 2.856 1.00 0.00 C ATOM 1855 CG ASP 1 122 12.582 4.662 2.439 1.00 0.00 C ATOM 1856 OD1 ASP 1 122 12.795 5.532 3.311 1.00 0.00 O ATOM 1857 OD2 ASP 1 122 12.914 4.796 1.243 1.00 0.00 O ATOM 0 H ASP 1 122 11.087 4.241 5.016 1.00 0.00 H new ATOM 0 HA ASP 1 122 10.028 4.248 2.394 1.00 0.00 H new ATOM 0 HB2 ASP 1 122 12.386 2.969 3.734 1.00 0.00 H new ATOM 0 HB3 ASP 1 122 11.986 2.641 2.060 1.00 0.00 H new ATOM 1862 N ASN 1 123 9.094 1.884 4.302 1.00 0.00 N ATOM 1863 CA ASN 1 123 8.374 0.642 4.401 1.00 0.00 C ATOM 1864 C ASN 1 123 7.176 0.648 3.470 1.00 0.00 C ATOM 1865 O ASN 1 123 7.061 -0.174 2.577 1.00 0.00 O ATOM 1866 CB ASN 1 123 7.911 0.434 5.850 1.00 0.00 C ATOM 1867 CG ASN 1 123 6.765 -0.519 5.890 1.00 0.00 C ATOM 1868 OD1 ASN 1 123 5.906 -0.450 6.766 1.00 0.00 O ATOM 1869 ND2 ASN 1 123 6.756 -1.420 4.922 1.00 0.00 N ATOM 0 H ASN 1 123 9.127 2.427 5.165 1.00 0.00 H new ATOM 0 HA ASN 1 123 9.034 -0.175 4.109 1.00 0.00 H new ATOM 0 HB2 ASN 1 123 8.735 0.050 6.452 1.00 0.00 H new ATOM 0 HB3 ASN 1 123 7.616 1.388 6.286 1.00 0.00 H new ATOM 0 HD21 ASN 1 123 6.006 -2.110 4.874 1.00 0.00 H new ATOM 0 HD22 ASN 1 123 7.499 -1.425 4.223 1.00 0.00 H new ATOM 1876 N LEU 1 124 6.307 1.581 3.655 1.00 0.00 N ATOM 1877 CA LEU 1 124 5.153 1.677 2.786 1.00 0.00 C ATOM 1878 C LEU 1 124 5.602 2.001 1.382 1.00 0.00 C ATOM 1879 O LEU 1 124 5.274 1.309 0.422 1.00 0.00 O ATOM 1880 CB LEU 1 124 4.166 2.732 3.259 1.00 0.00 C ATOM 1881 CG LEU 1 124 4.369 3.230 4.671 1.00 0.00 C ATOM 1882 CD1 LEU 1 124 4.317 2.063 5.655 1.00 0.00 C ATOM 1883 CD2 LEU 1 124 5.694 3.968 4.761 1.00 0.00 C ATOM 0 H LEU 1 124 6.359 2.288 4.388 1.00 0.00 H new ATOM 0 HA LEU 1 124 4.644 0.714 2.808 1.00 0.00 H new ATOM 0 HB2 LEU 1 124 4.220 3.584 2.581 1.00 0.00 H new ATOM 0 HB3 LEU 1 124 3.159 2.324 3.178 1.00 0.00 H new ATOM 0 HG LEU 1 124 3.569 3.922 4.934 1.00 0.00 H new ATOM 0 HD11 LEU 1 124 4.465 2.435 6.669 1.00 0.00 H new ATOM 0 HD12 LEU 1 124 3.346 1.572 5.586 1.00 0.00 H new ATOM 0 HD13 LEU 1 124 5.103 1.348 5.413 1.00 0.00 H new ATOM 0 HD21 LEU 1 124 5.842 4.328 5.779 1.00 0.00 H new ATOM 0 HD22 LEU 1 124 6.506 3.292 4.494 1.00 0.00 H new ATOM 0 HD23 LEU 1 124 5.686 4.815 4.075 1.00 0.00 H new ATOM 1895 N LEU 1 125 6.348 3.083 1.284 1.00 0.00 N ATOM 1896 CA LEU 1 125 6.850 3.553 0.021 1.00 0.00 C ATOM 1897 C LEU 1 125 7.742 2.547 -0.673 1.00 0.00 C ATOM 1898 O LEU 1 125 7.664 2.371 -1.888 1.00 0.00 O ATOM 1899 CB LEU 1 125 7.646 4.822 0.244 1.00 0.00 C ATOM 1900 CG LEU 1 125 6.830 6.035 0.661 1.00 0.00 C ATOM 1901 CD1 LEU 1 125 6.470 5.904 2.127 1.00 0.00 C ATOM 1902 CD2 LEU 1 125 7.604 7.319 0.402 1.00 0.00 C ATOM 0 H LEU 1 125 6.620 3.657 2.082 1.00 0.00 H new ATOM 0 HA LEU 1 125 5.985 3.727 -0.619 1.00 0.00 H new ATOM 0 HB2 LEU 1 125 8.398 4.630 1.009 1.00 0.00 H new ATOM 0 HB3 LEU 1 125 8.180 5.062 -0.675 1.00 0.00 H new ATOM 0 HG LEU 1 125 5.916 6.081 0.069 1.00 0.00 H new ATOM 0 HD11 LEU 1 125 5.884 6.770 2.437 1.00 0.00 H new ATOM 0 HD12 LEU 1 125 5.885 4.997 2.278 1.00 0.00 H new ATOM 0 HD13 LEU 1 125 7.382 5.851 2.722 1.00 0.00 H new ATOM 0 HD21 LEU 1 125 7.002 8.175 0.707 1.00 0.00 H new ATOM 0 HD22 LEU 1 125 8.532 7.306 0.973 1.00 0.00 H new ATOM 0 HD23 LEU 1 125 7.833 7.398 -0.661 1.00 0.00 H new ATOM 1914 N TYR 1 126 8.630 1.931 0.090 1.00 0.00 N ATOM 1915 CA TYR 1 126 9.579 0.998 -0.486 1.00 0.00 C ATOM 1916 C TYR 1 126 9.351 -0.415 0.006 1.00 0.00 C ATOM 1917 O TYR 1 126 9.609 -1.379 -0.713 1.00 0.00 O ATOM 1918 CB TYR 1 126 10.989 1.451 -0.134 1.00 0.00 C ATOM 1919 CG TYR 1 126 11.684 2.198 -1.245 1.00 0.00 C ATOM 1920 CD1 TYR 1 126 11.100 3.321 -1.818 1.00 0.00 C ATOM 1921 CD2 TYR 1 126 12.922 1.789 -1.719 1.00 0.00 C ATOM 1922 CE1 TYR 1 126 11.731 4.014 -2.831 1.00 0.00 C ATOM 1923 CE2 TYR 1 126 13.560 2.477 -2.731 1.00 0.00 C ATOM 1924 CZ TYR 1 126 12.960 3.589 -3.283 1.00 0.00 C ATOM 1925 OH TYR 1 126 13.593 4.278 -4.290 1.00 0.00 O ATOM 0 H TYR 1 126 8.712 2.059 1.099 1.00 0.00 H new ATOM 0 HA TYR 1 126 9.442 0.990 -1.567 1.00 0.00 H new ATOM 0 HB2 TYR 1 126 10.946 2.089 0.749 1.00 0.00 H new ATOM 0 HB3 TYR 1 126 11.585 0.578 0.133 1.00 0.00 H new ATOM 0 HD1 TYR 1 126 10.136 3.657 -1.465 1.00 0.00 H new ATOM 0 HD2 TYR 1 126 13.394 0.918 -1.289 1.00 0.00 H new ATOM 0 HE1 TYR 1 126 11.263 4.885 -3.267 1.00 0.00 H new ATOM 0 HE2 TYR 1 126 14.524 2.146 -3.089 1.00 0.00 H new ATOM 0 HH TYR 1 126 14.232 3.686 -4.740 1.00 0.00 H new ATOM 1935 N GLY 1 127 8.889 -0.543 1.236 1.00 0.00 N ATOM 1936 CA GLY 1 127 8.672 -1.873 1.783 1.00 0.00 C ATOM 1937 C GLY 1 127 9.778 -2.277 2.720 1.00 0.00 C ATOM 1938 O GLY 1 127 10.052 -3.463 2.909 1.00 0.00 O ATOM 0 H GLY 1 127 8.662 0.231 1.861 1.00 0.00 H new ATOM 0 HA2 GLY 1 127 7.719 -1.898 2.312 1.00 0.00 H new ATOM 0 HA3 GLY 1 127 8.603 -2.594 0.969 1.00 0.00 H new ATOM 1942 N LYS 1 128 10.417 -1.276 3.307 1.00 0.00 N ATOM 1943 CA LYS 1 128 11.491 -1.497 4.233 1.00 0.00 C ATOM 1944 C LYS 1 128 10.959 -1.970 5.583 1.00 0.00 C ATOM 1945 O LYS 1 128 11.778 -2.159 6.507 1.00 0.00 O ATOM 1946 CB LYS 1 128 12.245 -0.196 4.421 1.00 0.00 C ATOM 1947 CG LYS 1 128 12.863 0.339 3.149 1.00 0.00 C ATOM 1948 CD LYS 1 128 14.027 1.266 3.467 1.00 0.00 C ATOM 1949 CE LYS 1 128 14.984 1.402 2.290 1.00 0.00 C ATOM 1950 NZ LYS 1 128 14.272 1.564 0.990 1.00 0.00 N ATOM 1951 OXT LYS 1 128 9.728 -2.144 5.704 1.00 0.00 O ATOM 0 H LYS 1 128 10.198 -0.293 3.148 1.00 0.00 H new ATOM 0 HA LYS 1 128 12.149 -2.269 3.834 1.00 0.00 H new ATOM 0 HB2 LYS 1 128 11.564 0.553 4.826 1.00 0.00 H new ATOM 0 HB3 LYS 1 128 13.031 -0.346 5.161 1.00 0.00 H new ATOM 0 HG2 LYS 1 128 13.209 -0.489 2.530 1.00 0.00 H new ATOM 0 HG3 LYS 1 128 12.111 0.876 2.571 1.00 0.00 H new ATOM 0 HD2 LYS 1 128 13.644 2.250 3.739 1.00 0.00 H new ATOM 0 HD3 LYS 1 128 14.568 0.885 4.333 1.00 0.00 H new ATOM 0 HE2 LYS 1 128 15.635 2.261 2.453 1.00 0.00 H new ATOM 0 HE3 LYS 1 128 15.624 0.521 2.243 1.00 0.00 H new ATOM 0 HZ1 LYS 1 128 14.966 1.601 0.216 1.00 0.00 H new ATOM 0 HZ2 LYS 1 128 13.632 0.758 0.842 1.00 0.00 H new ATOM 0 HZ3 LYS 1 128 13.721 2.446 1.003 1.00 0.00 H new TER 1965 LYS 1 128