USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=34 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= -7.19! C(o=-7!,f=-11!) USER MOD Set 1.2: 1 109 THR OG1 : rot 166:sc= 0.187 USER MOD Set 1.3: 1 110 THR OG1 : rot 180:sc= -0.0181 USER MOD Set 2.1: 1 30 GLN :FLIP amide:sc= -7.14! C(o=-13!,f=-7.1!) USER MOD Set 2.2: 1 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: 1 49 THR OG1 : rot 167:sc= -1.76! USER MOD Set 3.2: 1 53 ASN : amide:sc= -5.03! C(o=-6.5!,f=-9!) USER MOD Set 3.3: 1 98 SER OG : rot -76:sc= 0.318 USER MOD Single : 1 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 1 MET N :NH3+ 172:sc= 0 (180deg=-0.0634) USER MOD Single : 1 4 SER OG : rot 180:sc= 0 USER MOD Single : 1 5 HIS : no HD1:sc= -0.211 X(o=-0.21,f=-0.6) USER MOD Single : 1 6 HIS : no HD1:sc= -0.479 K(o=-0.48,f=-0.99!) USER MOD Single : 1 7 HIS : no HD1:sc= -0.0138 X(o=-0.014,f=-0.11) USER MOD Single : 1 8 HIS : no HE2:sc= 1.02 K(o=1,f=-3.7!) USER MOD Single : 1 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 12 SER OG : rot 180:sc= 0 USER MOD Single : 1 15 THR OG1 : rot 180:sc= -0.0952 USER MOD Single : 1 16 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 18 THR OG1 : rot -59:sc= 0.711 USER MOD Single : 1 19 THR OG1 : rot -54:sc= 1.13 USER MOD Single : 1 20 ASN : amide:sc= -0.241 K(o=-0.24,f=-2.9!) USER MOD Single : 1 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 24 TYR OH : rot 129:sc= -8.51! USER MOD Single : 1 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 31 LYS NZ :NH3+ -126:sc= 0.554 (180deg=-1.6!) USER MOD Single : 1 33 ASN : amide:sc= -2.03 X(o=-2,f=-1.7) USER MOD Single : 1 37 GLN : amide:sc= -15.9! C(o=-16!,f=-20!) USER MOD Single : 1 40 ASN : amide:sc= -6.44! C(o=-6.4!,f=-9.2!) USER MOD Single : 1 41 ASN :FLIP amide:sc= -5.21 F(o=-15!,f=-5.2) USER MOD Single : 1 46 THR OG1 : rot -81:sc= 0.595 USER MOD Single : 1 64 THR OG1 : rot 180:sc= -2.51! USER MOD Single : 1 65 SER OG : rot 180:sc= 0 USER MOD Single : 1 66 ASN : amide:sc= -0.0535 X(o=-0.053,f=-0.37) USER MOD Single : 1 68 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 70 THR OG1 : rot 23:sc= 0.53 USER MOD Single : 1 71 SER OG : rot -150:sc= -0.0251 USER MOD Single : 1 73 GLN : amide:sc= -0.323 K(o=-0.32,f=-2.5!) USER MOD Single : 1 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 80 TYR OH : rot 180:sc= 0 USER MOD Single : 1 84 ASN : amide:sc= -5.56! C(o=-5.6!,f=-7.4!) USER MOD Single : 1 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 89 LYS NZ :NH3+ -171:sc= -2! (180deg=-2.2!) USER MOD Single : 1 90 SER OG : rot 180:sc= -0.022 USER MOD Single : 1 93 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 102 SER OG : rot 180:sc= 0 USER MOD Single : 1 105 GLN : amide:sc= -3.53! C(o=-3.5!,f=-3.4!) USER MOD Single : 1 107 ASN :FLIP amide:sc= -0.321 F(o=-2.7!,f=-0.32) USER MOD Single : 1 113 ASN : amide:sc= -1.17 K(o=-1.2,f=-1.7) USER MOD Single : 1 117 ASN : amide:sc= -14.8! C(o=-15!,f=-20!) USER MOD Single : 1 118 THR OG1 : rot -44:sc= -0.311 USER MOD Single : 1 119 THR OG1 : rot -46:sc= 0.683 USER MOD Single : 1 120 SER OG : rot -129:sc= -1.24 USER MOD Single : 1 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 123 ASN :FLIP amide:sc= -18.8! C(o=-21!,f=-19!) USER MOD Single : 1 126 TYR OH : rot 180:sc= -0.545 USER MOD Single : 1 128 LYS NZ :NH3+ 169:sc= -0.309 (180deg=-0.46) USER MOD ----------------------------------------------------------------- ATOM 1 N MET 1 1 38.952 7.874 -21.589 1.00 0.00 N ATOM 2 CA MET 1 1 39.343 9.225 -21.110 1.00 0.00 C ATOM 3 C MET 1 1 38.627 10.318 -21.898 1.00 0.00 C ATOM 4 O MET 1 1 39.220 11.343 -22.236 1.00 0.00 O ATOM 5 CB MET 1 1 40.859 9.372 -21.255 1.00 0.00 C ATOM 6 CG MET 1 1 41.629 9.018 -19.993 1.00 0.00 C ATOM 7 SD MET 1 1 42.124 10.474 -19.050 1.00 0.00 S ATOM 8 CE MET 1 1 41.741 9.943 -17.382 1.00 0.00 C ATOM 0 H1 MET 1 1 39.551 7.157 -21.132 1.00 0.00 H new ATOM 0 H2 MET 1 1 37.955 7.696 -21.351 1.00 0.00 H new ATOM 0 H3 MET 1 1 39.076 7.822 -22.620 1.00 0.00 H new ATOM 0 HA MET 1 1 39.054 9.333 -20.065 1.00 0.00 H new ATOM 0 HB2 MET 1 1 41.201 8.734 -22.070 1.00 0.00 H new ATOM 0 HB3 MET 1 1 41.091 10.399 -21.536 1.00 0.00 H new ATOM 0 HG2 MET 1 1 41.013 8.375 -19.364 1.00 0.00 H new ATOM 0 HG3 MET 1 1 42.516 8.445 -20.262 1.00 0.00 H new ATOM 0 HE1 MET 1 1 41.993 10.738 -16.680 1.00 0.00 H new ATOM 0 HE2 MET 1 1 40.677 9.716 -17.308 1.00 0.00 H new ATOM 0 HE3 MET 1 1 42.320 9.051 -17.142 1.00 0.00 H new ATOM 20 N ARG 1 2 37.351 10.093 -22.188 1.00 0.00 N ATOM 21 CA ARG 1 2 36.557 11.061 -22.934 1.00 0.00 C ATOM 22 C ARG 1 2 36.327 12.323 -22.111 1.00 0.00 C ATOM 23 O ARG 1 2 35.957 12.254 -20.939 1.00 0.00 O ATOM 24 CB ARG 1 2 35.214 10.449 -23.336 1.00 0.00 C ATOM 25 CG ARG 1 2 34.534 11.176 -24.487 1.00 0.00 C ATOM 26 CD ARG 1 2 34.214 10.232 -25.634 1.00 0.00 C ATOM 27 NE ARG 1 2 33.060 9.386 -25.340 1.00 0.00 N ATOM 28 CZ ARG 1 2 32.803 8.239 -25.965 1.00 0.00 C ATOM 29 NH1 ARG 1 2 33.611 7.798 -26.922 1.00 0.00 N ATOM 30 NH2 ARG 1 2 31.732 7.531 -25.633 1.00 0.00 N ATOM 0 H ARG 1 2 36.845 9.250 -21.918 1.00 0.00 H new ATOM 0 HA ARG 1 2 37.109 11.331 -23.834 1.00 0.00 H new ATOM 0 HB2 ARG 1 2 35.368 9.407 -23.616 1.00 0.00 H new ATOM 0 HB3 ARG 1 2 34.550 10.452 -22.472 1.00 0.00 H new ATOM 0 HG2 ARG 1 2 33.615 11.642 -24.131 1.00 0.00 H new ATOM 0 HG3 ARG 1 2 35.180 11.978 -24.844 1.00 0.00 H new ATOM 0 HD2 ARG 1 2 34.019 10.811 -26.537 1.00 0.00 H new ATOM 0 HD3 ARG 1 2 35.081 9.604 -25.840 1.00 0.00 H new ATOM 0 HE ARG 1 2 32.413 9.692 -24.613 1.00 0.00 H new ATOM 0 HH11 ARG 1 2 34.435 8.339 -27.183 1.00 0.00 H new ATOM 0 HH12 ARG 1 2 33.407 6.918 -27.396 1.00 0.00 H new ATOM 0 HH21 ARG 1 2 31.107 7.865 -24.900 1.00 0.00 H new ATOM 0 HH22 ARG 1 2 31.534 6.652 -26.111 1.00 0.00 H new ATOM 44 N GLY 1 3 36.546 13.478 -22.733 1.00 0.00 N ATOM 45 CA GLY 1 3 36.355 14.739 -22.043 1.00 0.00 C ATOM 46 C GLY 1 3 37.536 15.676 -22.199 1.00 0.00 C ATOM 47 O GLY 1 3 38.674 15.306 -21.912 1.00 0.00 O ATOM 0 H GLY 1 3 36.852 13.562 -23.702 1.00 0.00 H new ATOM 0 HA2 GLY 1 3 35.458 15.225 -22.425 1.00 0.00 H new ATOM 0 HA3 GLY 1 3 36.186 14.547 -20.983 1.00 0.00 H new ATOM 51 N SER 1 4 37.260 16.893 -22.656 1.00 0.00 N ATOM 52 CA SER 1 4 38.304 17.895 -22.854 1.00 0.00 C ATOM 53 C SER 1 4 37.955 19.195 -22.131 1.00 0.00 C ATOM 54 O SER 1 4 38.839 19.927 -21.688 1.00 0.00 O ATOM 55 CB SER 1 4 38.504 18.166 -24.347 1.00 0.00 C ATOM 56 OG SER 1 4 39.882 18.222 -24.675 1.00 0.00 O ATOM 0 H SER 1 4 36.321 17.211 -22.897 1.00 0.00 H new ATOM 0 HA SER 1 4 39.232 17.505 -22.435 1.00 0.00 H new ATOM 0 HB2 SER 1 4 38.020 17.383 -24.930 1.00 0.00 H new ATOM 0 HB3 SER 1 4 38.024 19.107 -24.617 1.00 0.00 H new ATOM 0 HG SER 1 4 39.983 18.394 -25.634 1.00 0.00 H new ATOM 62 N HIS 1 5 36.659 19.473 -22.018 1.00 0.00 N ATOM 63 CA HIS 1 5 36.189 20.682 -21.350 1.00 0.00 C ATOM 64 C HIS 1 5 34.675 20.639 -21.153 1.00 0.00 C ATOM 65 O HIS 1 5 34.156 21.126 -20.149 1.00 0.00 O ATOM 66 CB HIS 1 5 36.579 21.921 -22.161 1.00 0.00 C ATOM 67 CG HIS 1 5 37.728 22.684 -21.574 1.00 0.00 C ATOM 68 ND1 HIS 1 5 38.961 22.776 -22.183 1.00 0.00 N ATOM 69 CD2 HIS 1 5 37.825 23.393 -20.423 1.00 0.00 C ATOM 70 CE1 HIS 1 5 39.768 23.508 -21.433 1.00 0.00 C ATOM 71 NE2 HIS 1 5 39.101 23.894 -20.361 1.00 0.00 N ATOM 0 H HIS 1 5 35.915 18.877 -22.381 1.00 0.00 H new ATOM 0 HA HIS 1 5 36.662 20.736 -20.370 1.00 0.00 H new ATOM 0 HB2 HIS 1 5 36.837 21.615 -23.175 1.00 0.00 H new ATOM 0 HB3 HIS 1 5 35.716 22.582 -22.237 1.00 0.00 H new ATOM 0 HD2 HIS 1 5 37.044 23.537 -19.691 1.00 0.00 H new ATOM 0 HE1 HIS 1 5 40.796 23.749 -21.659 1.00 0.00 H new ATOM 0 HE2 HIS 1 5 39.474 24.472 -19.608 1.00 0.00 H new ATOM 80 N HIS 1 6 33.972 20.055 -22.121 1.00 0.00 N ATOM 81 CA HIS 1 6 32.518 19.948 -22.056 1.00 0.00 C ATOM 82 C HIS 1 6 32.092 18.616 -21.441 1.00 0.00 C ATOM 83 O HIS 1 6 32.134 17.577 -22.099 1.00 0.00 O ATOM 84 CB HIS 1 6 31.918 20.092 -23.457 1.00 0.00 C ATOM 85 CG HIS 1 6 31.017 21.280 -23.622 1.00 0.00 C ATOM 86 ND1 HIS 1 6 30.872 22.265 -22.663 1.00 0.00 N ATOM 87 CD2 HIS 1 6 30.212 21.639 -24.650 1.00 0.00 C ATOM 88 CE1 HIS 1 6 30.015 23.173 -23.096 1.00 0.00 C ATOM 89 NE2 HIS 1 6 29.602 22.817 -24.298 1.00 0.00 N ATOM 0 H HIS 1 6 34.387 19.649 -22.960 1.00 0.00 H new ATOM 0 HA HIS 1 6 32.147 20.752 -21.420 1.00 0.00 H new ATOM 0 HB2 HIS 1 6 32.729 20.162 -24.182 1.00 0.00 H new ATOM 0 HB3 HIS 1 6 31.356 19.189 -23.694 1.00 0.00 H new ATOM 0 HD2 HIS 1 6 30.075 21.099 -25.575 1.00 0.00 H new ATOM 0 HE1 HIS 1 6 29.705 24.056 -22.558 1.00 0.00 H new ATOM 0 HE2 HIS 1 6 28.937 23.334 -24.873 1.00 0.00 H new ATOM 98 N HIS 1 7 31.678 18.658 -20.178 1.00 0.00 N ATOM 99 CA HIS 1 7 31.239 17.455 -19.476 1.00 0.00 C ATOM 100 C HIS 1 7 29.715 17.400 -19.404 1.00 0.00 C ATOM 101 O HIS 1 7 29.081 18.289 -18.836 1.00 0.00 O ATOM 102 CB HIS 1 7 31.831 17.417 -18.066 1.00 0.00 C ATOM 103 CG HIS 1 7 32.232 16.045 -17.620 1.00 0.00 C ATOM 104 ND1 HIS 1 7 31.556 14.903 -18.000 1.00 0.00 N ATOM 105 CD2 HIS 1 7 33.246 15.633 -16.823 1.00 0.00 C ATOM 106 CE1 HIS 1 7 32.137 13.849 -17.452 1.00 0.00 C ATOM 107 NE2 HIS 1 7 33.165 14.266 -16.736 1.00 0.00 N ATOM 0 H HIS 1 7 31.637 19.511 -19.620 1.00 0.00 H new ATOM 0 HA HIS 1 7 31.593 16.587 -20.032 1.00 0.00 H new ATOM 0 HB2 HIS 1 7 32.702 18.071 -18.029 1.00 0.00 H new ATOM 0 HB3 HIS 1 7 31.101 17.819 -17.364 1.00 0.00 H new ATOM 0 HD2 HIS 1 7 33.982 16.263 -16.345 1.00 0.00 H new ATOM 0 HE1 HIS 1 7 31.824 12.822 -17.570 1.00 0.00 H new ATOM 0 HE2 HIS 1 7 33.797 13.668 -16.204 1.00 0.00 H new ATOM 116 N HIS 1 8 29.132 16.354 -19.984 1.00 0.00 N ATOM 117 CA HIS 1 8 27.682 16.195 -19.981 1.00 0.00 C ATOM 118 C HIS 1 8 27.286 14.721 -20.036 1.00 0.00 C ATOM 119 O HIS 1 8 26.884 14.216 -21.084 1.00 0.00 O ATOM 120 CB HIS 1 8 27.066 16.949 -21.162 1.00 0.00 C ATOM 121 CG HIS 1 8 26.333 18.191 -20.761 1.00 0.00 C ATOM 122 ND1 HIS 1 8 26.927 19.227 -20.071 1.00 0.00 N ATOM 123 CD2 HIS 1 8 25.045 18.561 -20.956 1.00 0.00 C ATOM 124 CE1 HIS 1 8 26.037 20.180 -19.858 1.00 0.00 C ATOM 125 NE2 HIS 1 8 24.887 19.800 -20.385 1.00 0.00 N ATOM 0 H HIS 1 8 29.639 15.608 -20.460 1.00 0.00 H new ATOM 0 HA HIS 1 8 27.300 16.613 -19.050 1.00 0.00 H new ATOM 0 HB2 HIS 1 8 27.856 17.214 -21.865 1.00 0.00 H new ATOM 0 HB3 HIS 1 8 26.380 16.286 -21.688 1.00 0.00 H new ATOM 0 HD1 HIS 1 8 27.902 19.253 -19.772 1.00 0.00 H new ATOM 0 HD2 HIS 1 8 24.284 17.989 -21.465 1.00 0.00 H new ATOM 0 HE1 HIS 1 8 26.219 21.111 -19.341 1.00 0.00 H new ATOM 134 N HIS 1 9 27.395 14.040 -18.901 1.00 0.00 N ATOM 135 CA HIS 1 9 27.041 12.626 -18.819 1.00 0.00 C ATOM 136 C HIS 1 9 25.951 12.396 -17.772 1.00 0.00 C ATOM 137 O HIS 1 9 25.747 11.274 -17.311 1.00 0.00 O ATOM 138 CB HIS 1 9 28.278 11.788 -18.482 1.00 0.00 C ATOM 139 CG HIS 1 9 28.499 10.644 -19.422 1.00 0.00 C ATOM 140 ND1 HIS 1 9 28.244 9.331 -19.083 1.00 0.00 N ATOM 141 CD2 HIS 1 9 28.953 10.619 -20.698 1.00 0.00 C ATOM 142 CE1 HIS 1 9 28.532 8.549 -20.108 1.00 0.00 C ATOM 143 NE2 HIS 1 9 28.963 9.306 -21.100 1.00 0.00 N ATOM 0 H HIS 1 9 27.726 14.443 -18.024 1.00 0.00 H new ATOM 0 HA HIS 1 9 26.655 12.316 -19.790 1.00 0.00 H new ATOM 0 HB2 HIS 1 9 29.157 12.432 -18.493 1.00 0.00 H new ATOM 0 HB3 HIS 1 9 28.179 11.401 -17.468 1.00 0.00 H new ATOM 0 HD2 HIS 1 9 29.251 11.472 -21.289 1.00 0.00 H new ATOM 0 HE1 HIS 1 9 28.432 7.474 -20.131 1.00 0.00 H new ATOM 0 HE2 HIS 1 9 29.256 8.970 -22.017 1.00 0.00 H new ATOM 152 N HIS 1 10 25.248 13.466 -17.406 1.00 0.00 N ATOM 153 CA HIS 1 10 24.184 13.386 -16.408 1.00 0.00 C ATOM 154 C HIS 1 10 23.021 12.521 -16.897 1.00 0.00 C ATOM 155 O HIS 1 10 22.926 11.343 -16.552 1.00 0.00 O ATOM 156 CB HIS 1 10 23.687 14.791 -16.058 1.00 0.00 C ATOM 157 CG HIS 1 10 24.747 15.658 -15.458 1.00 0.00 C ATOM 158 ND1 HIS 1 10 24.961 15.754 -14.098 1.00 0.00 N ATOM 159 CD2 HIS 1 10 25.671 16.459 -16.040 1.00 0.00 C ATOM 160 CE1 HIS 1 10 25.970 16.577 -13.872 1.00 0.00 C ATOM 161 NE2 HIS 1 10 26.417 17.017 -15.033 1.00 0.00 N ATOM 0 H HIS 1 10 25.397 14.400 -17.787 1.00 0.00 H new ATOM 0 HA HIS 1 10 24.596 12.916 -15.515 1.00 0.00 H new ATOM 0 HB2 HIS 1 10 23.303 15.269 -16.959 1.00 0.00 H new ATOM 0 HB3 HIS 1 10 22.854 14.711 -15.360 1.00 0.00 H new ATOM 0 HD2 HIS 1 10 25.797 16.627 -17.099 1.00 0.00 H new ATOM 0 HE1 HIS 1 10 26.362 16.844 -12.902 1.00 0.00 H new ATOM 0 HE2 HIS 1 10 27.192 17.667 -15.161 1.00 0.00 H new ATOM 170 N GLY 1 11 22.135 13.114 -17.696 1.00 0.00 N ATOM 171 CA GLY 1 11 20.991 12.382 -18.209 1.00 0.00 C ATOM 172 C GLY 1 11 19.695 12.787 -17.531 1.00 0.00 C ATOM 173 O GLY 1 11 19.610 12.814 -16.304 1.00 0.00 O ATOM 0 H GLY 1 11 22.190 14.087 -17.996 1.00 0.00 H new ATOM 0 HA2 GLY 1 11 20.905 12.552 -19.282 1.00 0.00 H new ATOM 0 HA3 GLY 1 11 21.153 11.313 -18.068 1.00 0.00 H new ATOM 177 N SER 1 12 18.681 13.100 -18.333 1.00 0.00 N ATOM 178 CA SER 1 12 17.383 13.502 -17.801 1.00 0.00 C ATOM 179 C SER 1 12 16.354 12.394 -17.993 1.00 0.00 C ATOM 180 O SER 1 12 15.418 12.257 -17.206 1.00 0.00 O ATOM 181 CB SER 1 12 16.903 14.784 -18.486 1.00 0.00 C ATOM 182 OG SER 1 12 17.170 15.922 -17.685 1.00 0.00 O ATOM 0 H SER 1 12 18.733 13.083 -19.352 1.00 0.00 H new ATOM 0 HA SER 1 12 17.496 13.690 -16.733 1.00 0.00 H new ATOM 0 HB2 SER 1 12 17.398 14.891 -19.451 1.00 0.00 H new ATOM 0 HB3 SER 1 12 15.833 14.716 -18.682 1.00 0.00 H new ATOM 0 HG SER 1 12 16.855 16.728 -18.146 1.00 0.00 H new ATOM 188 N GLU 1 13 16.540 11.601 -19.043 1.00 0.00 N ATOM 189 CA GLU 1 13 15.634 10.499 -19.341 1.00 0.00 C ATOM 190 C GLU 1 13 16.313 9.150 -19.104 1.00 0.00 C ATOM 191 O GLU 1 13 15.877 8.372 -18.256 1.00 0.00 O ATOM 192 CB GLU 1 13 15.134 10.594 -20.784 1.00 0.00 C ATOM 193 CG GLU 1 13 13.739 11.184 -20.905 1.00 0.00 C ATOM 194 CD GLU 1 13 13.704 12.667 -20.595 1.00 0.00 C ATOM 195 OE1 GLU 1 13 14.599 13.396 -21.074 1.00 0.00 O ATOM 196 OE2 GLU 1 13 12.782 13.102 -19.873 1.00 0.00 O ATOM 0 H GLU 1 13 17.312 11.702 -19.703 1.00 0.00 H new ATOM 0 HA GLU 1 13 14.781 10.573 -18.667 1.00 0.00 H new ATOM 0 HB2 GLU 1 13 15.829 11.204 -21.361 1.00 0.00 H new ATOM 0 HB3 GLU 1 13 15.139 9.598 -21.228 1.00 0.00 H new ATOM 0 HG2 GLU 1 13 13.365 11.019 -21.916 1.00 0.00 H new ATOM 0 HG3 GLU 1 13 13.066 10.659 -20.227 1.00 0.00 H new ATOM 203 N PRO 1 14 17.392 8.848 -19.852 1.00 0.00 N ATOM 204 CA PRO 1 14 18.113 7.583 -19.707 1.00 0.00 C ATOM 205 C PRO 1 14 19.012 7.563 -18.475 1.00 0.00 C ATOM 206 O PRO 1 14 20.160 8.003 -18.522 1.00 0.00 O ATOM 207 CB PRO 1 14 18.952 7.509 -20.983 1.00 0.00 C ATOM 208 CG PRO 1 14 19.197 8.931 -21.354 1.00 0.00 C ATOM 209 CD PRO 1 14 17.990 9.708 -20.895 1.00 0.00 C ATOM 0 HA PRO 1 14 17.435 6.740 -19.575 1.00 0.00 H new ATOM 0 HB2 PRO 1 14 19.888 6.977 -20.812 1.00 0.00 H new ATOM 0 HB3 PRO 1 14 18.424 6.978 -21.775 1.00 0.00 H new ATOM 0 HG2 PRO 1 14 20.103 9.305 -20.878 1.00 0.00 H new ATOM 0 HG3 PRO 1 14 19.337 9.032 -22.430 1.00 0.00 H new ATOM 0 HD2 PRO 1 14 18.270 10.683 -20.497 1.00 0.00 H new ATOM 0 HD3 PRO 1 14 17.294 9.886 -21.714 1.00 0.00 H new ATOM 217 N THR 1 15 18.479 7.041 -17.375 1.00 0.00 N ATOM 218 CA THR 1 15 19.223 6.954 -16.124 1.00 0.00 C ATOM 219 C THR 1 15 18.437 6.155 -15.087 1.00 0.00 C ATOM 220 O THR 1 15 17.294 5.767 -15.326 1.00 0.00 O ATOM 221 CB THR 1 15 19.531 8.352 -15.583 1.00 0.00 C ATOM 222 OG1 THR 1 15 18.650 9.316 -16.142 1.00 0.00 O ATOM 223 CG2 THR 1 15 20.952 8.801 -15.859 1.00 0.00 C ATOM 0 H THR 1 15 17.530 6.670 -17.325 1.00 0.00 H new ATOM 0 HA THR 1 15 20.163 6.440 -16.323 1.00 0.00 H new ATOM 0 HB THR 1 15 19.396 8.281 -14.504 1.00 0.00 H new ATOM 0 HG1 THR 1 15 18.863 10.202 -15.782 1.00 0.00 H new ATOM 0 HG21 THR 1 15 21.104 9.800 -15.449 1.00 0.00 H new ATOM 0 HG22 THR 1 15 21.650 8.107 -15.391 1.00 0.00 H new ATOM 0 HG23 THR 1 15 21.125 8.820 -16.935 1.00 0.00 H new ATOM 231 N THR 1 16 19.055 5.917 -13.936 1.00 0.00 N ATOM 232 CA THR 1 16 18.411 5.167 -12.863 1.00 0.00 C ATOM 233 C THR 1 16 18.107 6.074 -11.670 1.00 0.00 C ATOM 234 O THR 1 16 19.014 6.682 -11.101 1.00 0.00 O ATOM 235 CB THR 1 16 19.299 4.003 -12.421 1.00 0.00 C ATOM 236 OG1 THR 1 16 19.728 3.246 -13.540 1.00 0.00 O ATOM 237 CG2 THR 1 16 18.609 3.055 -11.463 1.00 0.00 C ATOM 0 H THR 1 16 20.001 6.232 -13.721 1.00 0.00 H new ATOM 0 HA THR 1 16 17.470 4.771 -13.245 1.00 0.00 H new ATOM 0 HB THR 1 16 20.144 4.462 -11.908 1.00 0.00 H new ATOM 0 HG1 THR 1 16 20.296 2.507 -13.237 1.00 0.00 H new ATOM 0 HG21 THR 1 16 19.294 2.252 -11.189 1.00 0.00 H new ATOM 0 HG22 THR 1 16 18.309 3.598 -10.567 1.00 0.00 H new ATOM 0 HG23 THR 1 16 17.727 2.631 -11.943 1.00 0.00 H new ATOM 245 N PRO 1 17 16.826 6.182 -11.274 1.00 0.00 N ATOM 246 CA PRO 1 17 16.420 7.022 -10.144 1.00 0.00 C ATOM 247 C PRO 1 17 16.747 6.386 -8.797 1.00 0.00 C ATOM 248 O PRO 1 17 17.317 5.296 -8.736 1.00 0.00 O ATOM 249 CB PRO 1 17 14.910 7.142 -10.325 1.00 0.00 C ATOM 250 CG PRO 1 17 14.513 5.878 -11.006 1.00 0.00 C ATOM 251 CD PRO 1 17 15.672 5.496 -11.891 1.00 0.00 C ATOM 0 HA PRO 1 17 16.943 7.978 -10.137 1.00 0.00 H new ATOM 0 HB2 PRO 1 17 14.403 7.252 -9.366 1.00 0.00 H new ATOM 0 HB3 PRO 1 17 14.650 8.014 -10.925 1.00 0.00 H new ATOM 0 HG2 PRO 1 17 14.303 5.093 -10.279 1.00 0.00 H new ATOM 0 HG3 PRO 1 17 13.605 6.020 -11.593 1.00 0.00 H new ATOM 0 HD2 PRO 1 17 15.816 4.416 -11.918 1.00 0.00 H new ATOM 0 HD3 PRO 1 17 15.515 5.822 -12.919 1.00 0.00 H new ATOM 259 N THR 1 18 16.380 7.074 -7.721 1.00 0.00 N ATOM 260 CA THR 1 18 16.628 6.579 -6.371 1.00 0.00 C ATOM 261 C THR 1 18 15.381 6.723 -5.502 1.00 0.00 C ATOM 262 O THR 1 18 15.430 7.303 -4.417 1.00 0.00 O ATOM 263 CB THR 1 18 17.799 7.336 -5.734 1.00 0.00 C ATOM 264 OG1 THR 1 18 18.040 6.884 -4.410 1.00 0.00 O ATOM 265 CG2 THR 1 18 17.578 8.833 -5.673 1.00 0.00 C ATOM 0 H THR 1 18 15.909 7.978 -7.757 1.00 0.00 H new ATOM 0 HA THR 1 18 16.882 5.521 -6.439 1.00 0.00 H new ATOM 0 HB THR 1 18 18.654 7.132 -6.378 1.00 0.00 H new ATOM 0 HG1 THR 1 18 17.234 7.015 -3.868 1.00 0.00 H new ATOM 0 HG21 THR 1 18 18.443 9.310 -5.212 1.00 0.00 H new ATOM 0 HG22 THR 1 18 17.444 9.222 -6.682 1.00 0.00 H new ATOM 0 HG23 THR 1 18 16.688 9.046 -5.081 1.00 0.00 H new ATOM 273 N THR 1 19 14.262 6.191 -5.986 1.00 0.00 N ATOM 274 CA THR 1 19 13.004 6.259 -5.249 1.00 0.00 C ATOM 275 C THR 1 19 11.976 5.290 -5.828 1.00 0.00 C ATOM 276 O THR 1 19 10.795 5.618 -5.943 1.00 0.00 O ATOM 277 CB THR 1 19 12.451 7.685 -5.272 1.00 0.00 C ATOM 278 OG1 THR 1 19 11.163 7.733 -4.685 1.00 0.00 O ATOM 279 CG2 THR 1 19 12.342 8.265 -6.667 1.00 0.00 C ATOM 0 H THR 1 19 14.201 5.709 -6.883 1.00 0.00 H new ATOM 0 HA THR 1 19 13.203 5.971 -4.217 1.00 0.00 H new ATOM 0 HB THR 1 19 13.167 8.280 -4.705 1.00 0.00 H new ATOM 0 HG1 THR 1 19 10.580 7.076 -5.120 1.00 0.00 H new ATOM 0 HG21 THR 1 19 11.943 9.278 -6.610 1.00 0.00 H new ATOM 0 HG22 THR 1 19 13.329 8.289 -7.129 1.00 0.00 H new ATOM 0 HG23 THR 1 19 11.675 7.646 -7.267 1.00 0.00 H new ATOM 287 N ASN 1 20 12.431 4.092 -6.184 1.00 0.00 N ATOM 288 CA ASN 1 20 11.549 3.074 -6.745 1.00 0.00 C ATOM 289 C ASN 1 20 10.803 2.332 -5.640 1.00 0.00 C ATOM 290 O ASN 1 20 11.408 1.831 -4.694 1.00 0.00 O ATOM 291 CB ASN 1 20 12.351 2.085 -7.591 1.00 0.00 C ATOM 292 CG ASN 1 20 13.162 2.775 -8.670 1.00 0.00 C ATOM 293 OD1 ASN 1 20 12.635 3.575 -9.444 1.00 0.00 O ATOM 294 ND2 ASN 1 20 14.452 2.468 -8.728 1.00 0.00 N ATOM 0 H ASN 1 20 13.405 3.803 -6.094 1.00 0.00 H new ATOM 0 HA ASN 1 20 10.817 3.572 -7.380 1.00 0.00 H new ATOM 0 HB2 ASN 1 20 13.020 1.517 -6.945 1.00 0.00 H new ATOM 0 HB3 ASN 1 20 11.670 1.370 -8.053 1.00 0.00 H new ATOM 0 HD21 ASN 1 20 15.048 2.900 -9.434 1.00 0.00 H new ATOM 0 HD22 ASN 1 20 14.847 1.800 -8.067 1.00 0.00 H new ATOM 301 N LEU 1 21 9.484 2.270 -5.766 1.00 0.00 N ATOM 302 CA LEU 1 21 8.648 1.600 -4.782 1.00 0.00 C ATOM 303 C LEU 1 21 8.957 0.111 -4.720 1.00 0.00 C ATOM 304 O LEU 1 21 8.311 -0.699 -5.383 1.00 0.00 O ATOM 305 CB LEU 1 21 7.171 1.818 -5.112 1.00 0.00 C ATOM 306 CG LEU 1 21 6.822 3.226 -5.601 1.00 0.00 C ATOM 307 CD1 LEU 1 21 5.749 3.166 -6.675 1.00 0.00 C ATOM 308 CD2 LEU 1 21 6.378 4.098 -4.438 1.00 0.00 C ATOM 0 H LEU 1 21 8.969 2.679 -6.546 1.00 0.00 H new ATOM 0 HA LEU 1 21 8.864 2.031 -3.804 1.00 0.00 H new ATOM 0 HB2 LEU 1 21 6.874 1.100 -5.876 1.00 0.00 H new ATOM 0 HB3 LEU 1 21 6.579 1.600 -4.223 1.00 0.00 H new ATOM 0 HG LEU 1 21 7.715 3.673 -6.039 1.00 0.00 H new ATOM 0 HD11 LEU 1 21 5.513 4.176 -7.011 1.00 0.00 H new ATOM 0 HD12 LEU 1 21 6.111 2.578 -7.519 1.00 0.00 H new ATOM 0 HD13 LEU 1 21 4.852 2.701 -6.267 1.00 0.00 H new ATOM 0 HD21 LEU 1 21 6.134 5.095 -4.804 1.00 0.00 H new ATOM 0 HD22 LEU 1 21 5.498 3.658 -3.969 1.00 0.00 H new ATOM 0 HD23 LEU 1 21 7.183 4.167 -3.707 1.00 0.00 H new ATOM 320 N LYS 1 22 9.953 -0.238 -3.915 1.00 0.00 N ATOM 321 CA LYS 1 22 10.364 -1.622 -3.753 1.00 0.00 C ATOM 322 C LYS 1 22 9.181 -2.528 -3.399 1.00 0.00 C ATOM 323 O LYS 1 22 8.075 -2.058 -3.127 1.00 0.00 O ATOM 324 CB LYS 1 22 11.455 -1.721 -2.693 1.00 0.00 C ATOM 325 CG LYS 1 22 12.845 -1.940 -3.269 1.00 0.00 C ATOM 326 CD LYS 1 22 13.014 -3.353 -3.807 1.00 0.00 C ATOM 327 CE LYS 1 22 14.467 -3.800 -3.749 1.00 0.00 C ATOM 328 NZ LYS 1 22 15.164 -3.597 -5.049 1.00 0.00 N ATOM 0 H LYS 1 22 10.493 0.427 -3.361 1.00 0.00 H new ATOM 0 HA LYS 1 22 10.761 -1.969 -4.707 1.00 0.00 H new ATOM 0 HB2 LYS 1 22 11.457 -0.807 -2.099 1.00 0.00 H new ATOM 0 HB3 LYS 1 22 11.218 -2.541 -2.015 1.00 0.00 H new ATOM 0 HG2 LYS 1 22 13.025 -1.222 -4.069 1.00 0.00 H new ATOM 0 HG3 LYS 1 22 13.592 -1.752 -2.498 1.00 0.00 H new ATOM 0 HD2 LYS 1 22 12.397 -4.040 -3.228 1.00 0.00 H new ATOM 0 HD3 LYS 1 22 12.659 -3.397 -4.837 1.00 0.00 H new ATOM 0 HE2 LYS 1 22 14.987 -3.245 -2.968 1.00 0.00 H new ATOM 0 HE3 LYS 1 22 14.512 -4.854 -3.474 1.00 0.00 H new ATOM 0 HZ1 LYS 1 22 16.151 -3.914 -4.967 1.00 0.00 H new ATOM 0 HZ2 LYS 1 22 14.684 -4.147 -5.790 1.00 0.00 H new ATOM 0 HZ3 LYS 1 22 15.144 -2.588 -5.300 1.00 0.00 H new ATOM 342 N ILE 1 23 9.424 -3.832 -3.467 1.00 0.00 N ATOM 343 CA ILE 1 23 8.412 -4.846 -3.225 1.00 0.00 C ATOM 344 C ILE 1 23 7.990 -5.022 -1.763 1.00 0.00 C ATOM 345 O ILE 1 23 8.755 -4.790 -0.829 1.00 0.00 O ATOM 346 CB ILE 1 23 8.930 -6.194 -3.774 1.00 0.00 C ATOM 347 CG1 ILE 1 23 8.082 -6.603 -4.959 1.00 0.00 C ATOM 348 CG2 ILE 1 23 8.952 -7.287 -2.712 1.00 0.00 C ATOM 349 CD1 ILE 1 23 8.896 -6.988 -6.169 1.00 0.00 C ATOM 0 H ILE 1 23 10.341 -4.216 -3.695 1.00 0.00 H new ATOM 0 HA ILE 1 23 7.514 -4.502 -3.738 1.00 0.00 H new ATOM 0 HB ILE 1 23 9.964 -6.059 -4.090 1.00 0.00 H new ATOM 0 HG12 ILE 1 23 7.450 -7.443 -4.672 1.00 0.00 H new ATOM 0 HG13 ILE 1 23 7.418 -5.780 -5.223 1.00 0.00 H new ATOM 0 HG21 ILE 1 23 9.324 -8.213 -3.151 1.00 0.00 H new ATOM 0 HG22 ILE 1 23 9.605 -6.985 -1.893 1.00 0.00 H new ATOM 0 HG23 ILE 1 23 7.943 -7.445 -2.332 1.00 0.00 H new ATOM 0 HD11 ILE 1 23 8.228 -7.270 -6.982 1.00 0.00 H new ATOM 0 HD12 ILE 1 23 9.508 -6.142 -6.480 1.00 0.00 H new ATOM 0 HD13 ILE 1 23 9.541 -7.831 -5.920 1.00 0.00 H new ATOM 361 N TYR 1 24 6.752 -5.509 -1.619 1.00 0.00 N ATOM 362 CA TYR 1 24 6.129 -5.829 -0.348 1.00 0.00 C ATOM 363 C TYR 1 24 6.081 -7.346 -0.264 1.00 0.00 C ATOM 364 O TYR 1 24 6.307 -8.014 -1.267 1.00 0.00 O ATOM 365 CB TYR 1 24 4.696 -5.323 -0.323 1.00 0.00 C ATOM 366 CG TYR 1 24 4.439 -4.028 0.410 1.00 0.00 C ATOM 367 CD1 TYR 1 24 4.846 -2.806 -0.102 1.00 0.00 C ATOM 368 CD2 TYR 1 24 3.759 -4.037 1.614 1.00 0.00 C ATOM 369 CE1 TYR 1 24 4.585 -1.632 0.579 1.00 0.00 C ATOM 370 CE2 TYR 1 24 3.494 -2.877 2.297 1.00 0.00 C ATOM 371 CZ TYR 1 24 3.908 -1.677 1.780 1.00 0.00 C ATOM 372 OH TYR 1 24 3.639 -0.520 2.468 1.00 0.00 O ATOM 0 H TYR 1 24 6.143 -5.694 -2.416 1.00 0.00 H new ATOM 0 HA TYR 1 24 6.685 -5.375 0.472 1.00 0.00 H new ATOM 0 HB2 TYR 1 24 4.362 -5.201 -1.353 1.00 0.00 H new ATOM 0 HB3 TYR 1 24 4.072 -6.096 0.125 1.00 0.00 H new ATOM 0 HD1 TYR 1 24 5.373 -2.771 -1.044 1.00 0.00 H new ATOM 0 HD2 TYR 1 24 3.429 -4.979 2.026 1.00 0.00 H new ATOM 0 HE1 TYR 1 24 4.909 -0.685 0.173 1.00 0.00 H new ATOM 0 HE2 TYR 1 24 2.962 -2.909 3.237 1.00 0.00 H new ATOM 0 HH TYR 1 24 2.687 -0.490 2.698 1.00 0.00 H new ATOM 382 N LYS 1 25 5.753 -7.903 0.880 1.00 0.00 N ATOM 383 CA LYS 1 25 5.652 -9.353 0.982 1.00 0.00 C ATOM 384 C LYS 1 25 4.224 -9.773 1.314 1.00 0.00 C ATOM 385 O LYS 1 25 3.753 -9.575 2.425 1.00 0.00 O ATOM 386 CB LYS 1 25 6.604 -9.889 2.030 1.00 0.00 C ATOM 387 CG LYS 1 25 8.057 -9.951 1.572 1.00 0.00 C ATOM 388 CD LYS 1 25 8.787 -11.158 2.153 1.00 0.00 C ATOM 389 CE LYS 1 25 10.004 -10.741 2.971 1.00 0.00 C ATOM 390 NZ LYS 1 25 10.912 -11.889 3.251 1.00 0.00 N ATOM 0 H LYS 1 25 5.554 -7.392 1.740 1.00 0.00 H new ATOM 0 HA LYS 1 25 5.926 -9.774 0.015 1.00 0.00 H new ATOM 0 HB2 LYS 1 25 6.540 -9.262 2.919 1.00 0.00 H new ATOM 0 HB3 LYS 1 25 6.282 -10.889 2.321 1.00 0.00 H new ATOM 0 HG2 LYS 1 25 8.093 -9.995 0.483 1.00 0.00 H new ATOM 0 HG3 LYS 1 25 8.571 -9.038 1.871 1.00 0.00 H new ATOM 0 HD2 LYS 1 25 8.104 -11.728 2.782 1.00 0.00 H new ATOM 0 HD3 LYS 1 25 9.101 -11.818 1.344 1.00 0.00 H new ATOM 0 HE2 LYS 1 25 10.553 -9.968 2.434 1.00 0.00 H new ATOM 0 HE3 LYS 1 25 9.674 -10.302 3.913 1.00 0.00 H new ATOM 0 HZ1 LYS 1 25 11.726 -11.560 3.809 1.00 0.00 H new ATOM 0 HZ2 LYS 1 25 10.397 -12.617 3.786 1.00 0.00 H new ATOM 0 HZ3 LYS 1 25 11.248 -12.292 2.353 1.00 0.00 H new ATOM 404 N VAL 1 26 3.526 -10.362 0.366 1.00 0.00 N ATOM 405 CA VAL 1 26 2.174 -10.787 0.627 1.00 0.00 C ATOM 406 C VAL 1 26 2.186 -12.073 1.407 1.00 0.00 C ATOM 407 O VAL 1 26 2.070 -13.169 0.861 1.00 0.00 O ATOM 408 CB VAL 1 26 1.322 -10.924 -0.628 1.00 0.00 C ATOM 409 CG1 VAL 1 26 0.020 -10.243 -0.366 1.00 0.00 C ATOM 410 CG2 VAL 1 26 1.998 -10.309 -1.826 1.00 0.00 C ATOM 0 H VAL 1 26 3.868 -10.553 -0.576 1.00 0.00 H new ATOM 0 HA VAL 1 26 1.705 -9.999 1.217 1.00 0.00 H new ATOM 0 HB VAL 1 26 1.172 -11.980 -0.854 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 -0.616 -10.323 -1.248 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 -0.474 -10.717 0.482 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 0.198 -9.191 -0.141 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 1.361 -10.426 -2.703 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 2.171 -9.249 -1.642 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 2.951 -10.807 -2.001 1.00 0.00 H new ATOM 420 N ASP 1 27 2.372 -11.889 2.694 1.00 0.00 N ATOM 421 CA ASP 1 27 2.453 -12.981 3.658 1.00 0.00 C ATOM 422 C ASP 1 27 1.078 -13.487 4.058 1.00 0.00 C ATOM 423 O ASP 1 27 0.927 -14.642 4.457 1.00 0.00 O ATOM 424 CB ASP 1 27 3.278 -12.546 4.881 1.00 0.00 C ATOM 425 CG ASP 1 27 4.759 -12.541 4.566 1.00 0.00 C ATOM 426 OD1 ASP 1 27 5.391 -13.612 4.668 1.00 0.00 O ATOM 427 OD2 ASP 1 27 5.284 -11.466 4.209 1.00 0.00 O ATOM 0 H ASP 1 27 2.474 -10.965 3.115 1.00 0.00 H new ATOM 0 HA ASP 1 27 2.962 -13.818 3.181 1.00 0.00 H new ATOM 0 HB2 ASP 1 27 2.967 -11.550 5.198 1.00 0.00 H new ATOM 0 HB3 ASP 1 27 3.083 -13.221 5.714 1.00 0.00 H new ATOM 432 N ASP 1 28 0.073 -12.626 3.958 1.00 0.00 N ATOM 433 CA ASP 1 28 -1.281 -13.023 4.322 1.00 0.00 C ATOM 434 C ASP 1 28 -2.305 -11.927 4.041 1.00 0.00 C ATOM 435 O ASP 1 28 -2.274 -10.863 4.657 1.00 0.00 O ATOM 436 CB ASP 1 28 -1.324 -13.388 5.803 1.00 0.00 C ATOM 437 CG ASP 1 28 -2.467 -14.324 6.143 1.00 0.00 C ATOM 438 OD1 ASP 1 28 -2.789 -15.198 5.311 1.00 0.00 O ATOM 439 OD2 ASP 1 28 -3.041 -14.183 7.243 1.00 0.00 O ATOM 0 H ASP 1 28 0.166 -11.664 3.633 1.00 0.00 H new ATOM 0 HA ASP 1 28 -1.544 -13.884 3.707 1.00 0.00 H new ATOM 0 HB2 ASP 1 28 -0.381 -13.856 6.085 1.00 0.00 H new ATOM 0 HB3 ASP 1 28 -1.418 -12.477 6.395 1.00 0.00 H new ATOM 444 N LEU 1 29 -3.238 -12.211 3.139 1.00 0.00 N ATOM 445 CA LEU 1 29 -4.287 -11.270 2.824 1.00 0.00 C ATOM 446 C LEU 1 29 -5.642 -11.955 2.882 1.00 0.00 C ATOM 447 O LEU 1 29 -5.811 -13.066 2.392 1.00 0.00 O ATOM 448 CB LEU 1 29 -4.067 -10.593 1.492 1.00 0.00 C ATOM 449 CG LEU 1 29 -5.314 -10.482 0.646 1.00 0.00 C ATOM 450 CD1 LEU 1 29 -5.409 -9.120 0.014 1.00 0.00 C ATOM 451 CD2 LEU 1 29 -5.316 -11.584 -0.370 1.00 0.00 C ATOM 0 H LEU 1 29 -3.283 -13.087 2.618 1.00 0.00 H new ATOM 0 HA LEU 1 29 -4.263 -10.482 3.577 1.00 0.00 H new ATOM 0 HB2 LEU 1 29 -3.668 -9.594 1.665 1.00 0.00 H new ATOM 0 HB3 LEU 1 29 -3.311 -11.146 0.935 1.00 0.00 H new ATOM 0 HG LEU 1 29 -6.199 -10.594 1.272 1.00 0.00 H new ATOM 0 HD11 LEU 1 29 -6.314 -9.062 -0.591 1.00 0.00 H new ATOM 0 HD12 LEU 1 29 -5.444 -8.359 0.793 1.00 0.00 H new ATOM 0 HD13 LEU 1 29 -4.538 -8.951 -0.619 1.00 0.00 H new ATOM 0 HD21 LEU 1 29 -6.213 -11.511 -0.985 1.00 0.00 H new ATOM 0 HD22 LEU 1 29 -4.434 -11.496 -1.004 1.00 0.00 H new ATOM 0 HD23 LEU 1 29 -5.303 -12.548 0.139 1.00 0.00 H new ATOM 463 N GLN 1 30 -6.582 -11.279 3.518 1.00 0.00 N ATOM 464 CA GLN 1 30 -7.934 -11.784 3.727 1.00 0.00 C ATOM 465 C GLN 1 30 -8.998 -10.789 3.331 1.00 0.00 C ATOM 466 O GLN 1 30 -8.753 -9.587 3.299 1.00 0.00 O ATOM 467 CB GLN 1 30 -8.129 -12.094 5.220 1.00 0.00 C ATOM 468 CG GLN 1 30 -8.035 -13.564 5.565 1.00 0.00 C ATOM 469 CD GLN 1 30 -6.756 -14.166 5.056 1.00 0.00 C ATOM 470 OE1 GLN 1 30 -6.672 -14.291 3.747 1.00 0.00 O flip ATOM 471 NE2 GLN 1 30 -5.860 -14.516 5.825 1.00 0.00 N flip ATOM 0 H GLN 1 30 -6.429 -10.350 3.911 1.00 0.00 H new ATOM 0 HA GLN 1 30 -8.039 -12.671 3.103 1.00 0.00 H new ATOM 0 HB2 GLN 1 30 -7.380 -11.549 5.794 1.00 0.00 H new ATOM 0 HB3 GLN 1 30 -9.104 -11.720 5.533 1.00 0.00 H new ATOM 0 HG2 GLN 1 30 -8.093 -13.690 6.646 1.00 0.00 H new ATOM 0 HG3 GLN 1 30 -8.885 -14.095 5.136 1.00 0.00 H new ATOM 0 HE21 GLN 1 30 -5.976 -14.397 6.831 1.00 0.00 H new ATOM 0 HE22 GLN 1 30 -5.002 -14.925 5.456 1.00 0.00 H new ATOM 480 N LYS 1 31 -10.215 -11.280 3.112 1.00 0.00 N ATOM 481 CA LYS 1 31 -11.295 -10.369 2.836 1.00 0.00 C ATOM 482 C LYS 1 31 -11.543 -9.695 4.176 1.00 0.00 C ATOM 483 O LYS 1 31 -12.022 -10.319 5.123 1.00 0.00 O ATOM 484 CB LYS 1 31 -12.532 -11.107 2.316 1.00 0.00 C ATOM 485 CG LYS 1 31 -13.460 -10.269 1.437 1.00 0.00 C ATOM 486 CD LYS 1 31 -12.776 -9.051 0.829 1.00 0.00 C ATOM 487 CE LYS 1 31 -13.598 -8.466 -0.308 1.00 0.00 C ATOM 488 NZ LYS 1 31 -14.944 -8.021 0.150 1.00 0.00 N ATOM 0 H LYS 1 31 -10.463 -12.269 3.121 1.00 0.00 H new ATOM 0 HA LYS 1 31 -11.059 -9.651 2.051 1.00 0.00 H new ATOM 0 HB2 LYS 1 31 -12.205 -11.978 1.747 1.00 0.00 H new ATOM 0 HB3 LYS 1 31 -13.101 -11.478 3.169 1.00 0.00 H new ATOM 0 HG2 LYS 1 31 -13.853 -10.895 0.635 1.00 0.00 H new ATOM 0 HG3 LYS 1 31 -14.312 -9.940 2.031 1.00 0.00 H new ATOM 0 HD2 LYS 1 31 -12.625 -8.294 1.599 1.00 0.00 H new ATOM 0 HD3 LYS 1 31 -11.789 -9.332 0.460 1.00 0.00 H new ATOM 0 HE2 LYS 1 31 -13.065 -7.621 -0.743 1.00 0.00 H new ATOM 0 HE3 LYS 1 31 -13.711 -9.211 -1.095 1.00 0.00 H new ATOM 0 HZ1 LYS 1 31 -15.676 -8.468 -0.438 1.00 0.00 H new ATOM 0 HZ2 LYS 1 31 -15.082 -8.297 1.143 1.00 0.00 H new ATOM 0 HZ3 LYS 1 31 -15.015 -6.987 0.065 1.00 0.00 H new ATOM 502 N ILE 1 32 -11.059 -8.474 4.287 1.00 0.00 N ATOM 503 CA ILE 1 32 -11.055 -7.764 5.551 1.00 0.00 C ATOM 504 C ILE 1 32 -11.751 -6.408 5.493 1.00 0.00 C ATOM 505 O ILE 1 32 -11.401 -5.543 4.693 1.00 0.00 O ATOM 506 CB ILE 1 32 -9.565 -7.653 5.916 1.00 0.00 C ATOM 507 CG1 ILE 1 32 -8.989 -9.068 5.919 1.00 0.00 C ATOM 508 CG2 ILE 1 32 -9.278 -6.929 7.218 1.00 0.00 C ATOM 509 CD1 ILE 1 32 -8.011 -9.339 7.008 1.00 0.00 C ATOM 0 H ILE 1 32 -10.660 -7.949 3.509 1.00 0.00 H new ATOM 0 HA ILE 1 32 -11.630 -8.296 6.309 1.00 0.00 H new ATOM 0 HB ILE 1 32 -9.081 -7.026 5.167 1.00 0.00 H new ATOM 0 HG12 ILE 1 32 -9.810 -9.780 6.001 1.00 0.00 H new ATOM 0 HG13 ILE 1 32 -8.504 -9.250 4.960 1.00 0.00 H new ATOM 0 HG21 ILE 1 32 -8.202 -6.901 7.389 1.00 0.00 H new ATOM 0 HG22 ILE 1 32 -9.662 -5.911 7.160 1.00 0.00 H new ATOM 0 HG23 ILE 1 32 -9.763 -7.454 8.041 1.00 0.00 H new ATOM 0 HD11 ILE 1 32 -7.656 -10.367 6.931 1.00 0.00 H new ATOM 0 HD12 ILE 1 32 -7.167 -8.656 6.917 1.00 0.00 H new ATOM 0 HD13 ILE 1 32 -8.493 -9.193 7.975 1.00 0.00 H new ATOM 521 N ASN 1 33 -12.755 -6.241 6.352 1.00 0.00 N ATOM 522 CA ASN 1 33 -13.526 -5.010 6.406 1.00 0.00 C ATOM 523 C ASN 1 33 -14.220 -4.768 5.074 1.00 0.00 C ATOM 524 O ASN 1 33 -14.356 -3.630 4.626 1.00 0.00 O ATOM 525 CB ASN 1 33 -12.616 -3.834 6.750 1.00 0.00 C ATOM 526 CG ASN 1 33 -12.627 -3.519 8.230 1.00 0.00 C ATOM 527 OD1 ASN 1 33 -12.728 -2.360 8.631 1.00 0.00 O ATOM 528 ND2 ASN 1 33 -12.524 -4.556 9.050 1.00 0.00 N ATOM 0 H ASN 1 33 -13.051 -6.950 7.022 1.00 0.00 H new ATOM 0 HA ASN 1 33 -14.284 -5.104 7.183 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 -11.597 -4.061 6.436 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 -12.934 -2.954 6.190 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 -12.526 -4.410 10.060 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 -12.442 -5.500 8.671 1.00 0.00 H new ATOM 535 N GLY 1 34 -14.654 -5.856 4.442 1.00 0.00 N ATOM 536 CA GLY 1 34 -15.318 -5.759 3.165 1.00 0.00 C ATOM 537 C GLY 1 34 -14.349 -5.464 2.036 1.00 0.00 C ATOM 538 O GLY 1 34 -14.756 -5.274 0.890 1.00 0.00 O ATOM 0 H GLY 1 34 -14.554 -6.806 4.799 1.00 0.00 H new ATOM 0 HA2 GLY 1 34 -15.841 -6.692 2.958 1.00 0.00 H new ATOM 0 HA3 GLY 1 34 -16.072 -4.974 3.208 1.00 0.00 H new ATOM 542 N ILE 1 35 -13.059 -5.416 2.366 1.00 0.00 N ATOM 543 CA ILE 1 35 -12.021 -5.135 1.401 1.00 0.00 C ATOM 544 C ILE 1 35 -10.854 -6.090 1.603 1.00 0.00 C ATOM 545 O ILE 1 35 -10.475 -6.377 2.735 1.00 0.00 O ATOM 546 CB ILE 1 35 -11.503 -3.688 1.548 1.00 0.00 C ATOM 547 CG1 ILE 1 35 -12.102 -3.009 2.788 1.00 0.00 C ATOM 548 CG2 ILE 1 35 -11.808 -2.880 0.296 1.00 0.00 C ATOM 549 CD1 ILE 1 35 -11.086 -2.257 3.616 1.00 0.00 C ATOM 0 H ILE 1 35 -12.714 -5.572 3.313 1.00 0.00 H new ATOM 0 HA ILE 1 35 -12.448 -5.263 0.406 1.00 0.00 H new ATOM 0 HB ILE 1 35 -10.422 -3.730 1.677 1.00 0.00 H new ATOM 0 HG12 ILE 1 35 -12.884 -2.318 2.472 1.00 0.00 H new ATOM 0 HG13 ILE 1 35 -12.578 -3.765 3.412 1.00 0.00 H new ATOM 0 HG21 ILE 1 35 -11.435 -1.863 0.419 1.00 0.00 H new ATOM 0 HG22 ILE 1 35 -11.322 -3.343 -0.563 1.00 0.00 H new ATOM 0 HG23 ILE 1 35 -12.885 -2.854 0.133 1.00 0.00 H new ATOM 0 HD11 ILE 1 35 -11.581 -1.803 4.475 1.00 0.00 H new ATOM 0 HD12 ILE 1 35 -10.317 -2.947 3.963 1.00 0.00 H new ATOM 0 HD13 ILE 1 35 -10.627 -1.477 3.008 1.00 0.00 H new ATOM 561 N TRP 1 36 -10.264 -6.565 0.519 1.00 0.00 N ATOM 562 CA TRP 1 36 -9.133 -7.474 0.631 1.00 0.00 C ATOM 563 C TRP 1 36 -8.008 -6.785 1.397 1.00 0.00 C ATOM 564 O TRP 1 36 -7.660 -5.649 1.089 1.00 0.00 O ATOM 565 CB TRP 1 36 -8.668 -7.898 -0.763 1.00 0.00 C ATOM 566 CG TRP 1 36 -9.702 -8.710 -1.482 1.00 0.00 C ATOM 567 CD1 TRP 1 36 -10.425 -8.337 -2.578 1.00 0.00 C ATOM 568 CD2 TRP 1 36 -10.152 -10.026 -1.134 1.00 0.00 C ATOM 569 NE1 TRP 1 36 -11.296 -9.339 -2.933 1.00 0.00 N ATOM 570 CE2 TRP 1 36 -11.147 -10.385 -2.063 1.00 0.00 C ATOM 571 CE3 TRP 1 36 -9.812 -10.936 -0.129 1.00 0.00 C ATOM 572 CZ2 TRP 1 36 -11.805 -11.611 -2.015 1.00 0.00 C ATOM 573 CZ3 TRP 1 36 -10.468 -12.153 -0.082 1.00 0.00 C ATOM 574 CH2 TRP 1 36 -11.454 -12.481 -1.020 1.00 0.00 C ATOM 0 H TRP 1 36 -10.543 -6.341 -0.436 1.00 0.00 H new ATOM 0 HA TRP 1 36 -9.429 -8.370 1.176 1.00 0.00 H new ATOM 0 HB2 TRP 1 36 -8.432 -7.011 -1.351 1.00 0.00 H new ATOM 0 HB3 TRP 1 36 -7.749 -8.477 -0.677 1.00 0.00 H new ATOM 0 HD1 TRP 1 36 -10.327 -7.392 -3.091 1.00 0.00 H new ATOM 0 HE1 TRP 1 36 -11.947 -9.308 -3.717 1.00 0.00 H new ATOM 0 HE3 TRP 1 36 -9.051 -10.693 0.598 1.00 0.00 H new ATOM 0 HZ2 TRP 1 36 -12.566 -11.866 -2.738 1.00 0.00 H new ATOM 0 HZ3 TRP 1 36 -10.215 -12.863 0.692 1.00 0.00 H new ATOM 0 HH2 TRP 1 36 -11.947 -13.440 -0.957 1.00 0.00 H new ATOM 585 N GLN 1 37 -7.464 -7.450 2.415 1.00 0.00 N ATOM 586 CA GLN 1 37 -6.414 -6.849 3.224 1.00 0.00 C ATOM 587 C GLN 1 37 -5.124 -7.618 3.111 1.00 0.00 C ATOM 588 O GLN 1 37 -5.134 -8.824 2.940 1.00 0.00 O ATOM 589 CB GLN 1 37 -6.848 -6.780 4.680 1.00 0.00 C ATOM 590 CG GLN 1 37 -5.767 -6.327 5.639 1.00 0.00 C ATOM 591 CD GLN 1 37 -5.620 -7.188 6.901 1.00 0.00 C ATOM 592 OE1 GLN 1 37 -5.707 -6.693 8.026 1.00 0.00 O ATOM 593 NE2 GLN 1 37 -5.378 -8.470 6.738 1.00 0.00 N ATOM 0 H GLN 1 37 -7.731 -8.394 2.694 1.00 0.00 H new ATOM 0 HA GLN 1 37 -6.241 -5.840 2.849 1.00 0.00 H new ATOM 0 HB2 GLN 1 37 -7.696 -6.100 4.761 1.00 0.00 H new ATOM 0 HB3 GLN 1 37 -7.199 -7.765 4.988 1.00 0.00 H new ATOM 0 HG2 GLN 1 37 -4.814 -6.317 5.111 1.00 0.00 H new ATOM 0 HG3 GLN 1 37 -5.975 -5.300 5.940 1.00 0.00 H new ATOM 0 HE21 GLN 1 37 -5.310 -8.861 5.798 1.00 0.00 H new ATOM 0 HE22 GLN 1 37 -5.259 -9.074 7.551 1.00 0.00 H new ATOM 602 N VAL 1 38 -4.015 -6.898 3.185 1.00 0.00 N ATOM 603 CA VAL 1 38 -2.709 -7.514 3.041 1.00 0.00 C ATOM 604 C VAL 1 38 -1.847 -7.470 4.294 1.00 0.00 C ATOM 605 O VAL 1 38 -1.950 -6.548 5.113 1.00 0.00 O ATOM 606 CB VAL 1 38 -1.938 -6.824 1.902 1.00 0.00 C ATOM 607 CG1 VAL 1 38 -0.670 -7.599 1.593 1.00 0.00 C ATOM 608 CG2 VAL 1 38 -2.815 -6.715 0.666 1.00 0.00 C ATOM 0 H VAL 1 38 -3.995 -5.891 3.343 1.00 0.00 H new ATOM 0 HA VAL 1 38 -2.904 -8.565 2.828 1.00 0.00 H new ATOM 0 HB VAL 1 38 -1.662 -5.817 2.216 1.00 0.00 H new ATOM 0 HG11 VAL 1 38 -0.129 -7.105 0.786 1.00 0.00 H new ATOM 0 HG12 VAL 1 38 -0.040 -7.636 2.482 1.00 0.00 H new ATOM 0 HG13 VAL 1 38 -0.929 -8.613 1.289 1.00 0.00 H new ATOM 0 HG21 VAL 1 38 -2.258 -6.225 -0.133 1.00 0.00 H new ATOM 0 HG22 VAL 1 38 -3.113 -7.712 0.342 1.00 0.00 H new ATOM 0 HG23 VAL 1 38 -3.704 -6.129 0.901 1.00 0.00 H new ATOM 618 N ARG 1 39 -0.975 -8.489 4.408 1.00 0.00 N ATOM 619 CA ARG 1 39 -0.041 -8.602 5.518 1.00 0.00 C ATOM 620 C ARG 1 39 1.297 -9.198 5.066 1.00 0.00 C ATOM 621 O ARG 1 39 1.318 -10.170 4.313 1.00 0.00 O ATOM 622 CB ARG 1 39 -0.631 -9.470 6.628 1.00 0.00 C ATOM 623 CG ARG 1 39 -1.877 -8.884 7.244 1.00 0.00 C ATOM 624 CD ARG 1 39 -2.850 -9.955 7.714 1.00 0.00 C ATOM 625 NE ARG 1 39 -2.174 -11.085 8.350 1.00 0.00 N ATOM 626 CZ ARG 1 39 -2.629 -11.715 9.431 1.00 0.00 C ATOM 627 NH1 ARG 1 39 -3.739 -11.306 10.035 1.00 0.00 N ATOM 628 NH2 ARG 1 39 -1.966 -12.756 9.917 1.00 0.00 N ATOM 0 H ARG 1 39 -0.907 -9.249 3.731 1.00 0.00 H new ATOM 0 HA ARG 1 39 0.137 -7.596 5.897 1.00 0.00 H new ATOM 0 HB2 ARG 1 39 -0.862 -10.456 6.225 1.00 0.00 H new ATOM 0 HB3 ARG 1 39 0.119 -9.612 7.406 1.00 0.00 H new ATOM 0 HG2 ARG 1 39 -1.599 -8.253 8.088 1.00 0.00 H new ATOM 0 HG3 ARG 1 39 -2.372 -8.242 6.515 1.00 0.00 H new ATOM 0 HD2 ARG 1 39 -3.557 -9.516 8.418 1.00 0.00 H new ATOM 0 HD3 ARG 1 39 -3.429 -10.314 6.863 1.00 0.00 H new ATOM 0 HE ARG 1 39 -1.299 -11.411 7.940 1.00 0.00 H new ATOM 0 HH11 ARG 1 39 -4.251 -10.502 9.671 1.00 0.00 H new ATOM 0 HH12 ARG 1 39 -4.079 -11.796 10.863 1.00 0.00 H new ATOM 0 HH21 ARG 1 39 -1.109 -13.072 9.463 1.00 0.00 H new ATOM 0 HH22 ARG 1 39 -2.313 -13.240 10.745 1.00 0.00 H new ATOM 642 N ASN 1 40 2.408 -8.679 5.596 1.00 0.00 N ATOM 643 CA ASN 1 40 3.711 -9.236 5.313 1.00 0.00 C ATOM 644 C ASN 1 40 4.439 -9.430 6.599 1.00 0.00 C ATOM 645 O ASN 1 40 4.204 -8.752 7.578 1.00 0.00 O ATOM 646 CB ASN 1 40 4.639 -8.430 4.413 1.00 0.00 C ATOM 647 CG ASN 1 40 4.008 -7.292 3.664 1.00 0.00 C ATOM 648 OD1 ASN 1 40 2.845 -7.348 3.265 1.00 0.00 O ATOM 649 ND2 ASN 1 40 4.795 -6.248 3.470 1.00 0.00 N ATOM 0 H ASN 1 40 2.419 -7.874 6.222 1.00 0.00 H new ATOM 0 HA ASN 1 40 3.482 -10.151 4.767 1.00 0.00 H new ATOM 0 HB2 ASN 1 40 5.449 -8.031 5.024 1.00 0.00 H new ATOM 0 HB3 ASN 1 40 5.090 -9.109 3.689 1.00 0.00 H new ATOM 0 HD21 ASN 1 40 4.446 -5.433 2.966 1.00 0.00 H new ATOM 0 HD22 ASN 1 40 5.752 -6.258 3.824 1.00 0.00 H new ATOM 656 N ASN 1 41 5.318 -10.365 6.561 1.00 0.00 N ATOM 657 CA ASN 1 41 6.134 -10.710 7.698 1.00 0.00 C ATOM 658 C ASN 1 41 7.037 -9.544 8.150 1.00 0.00 C ATOM 659 O ASN 1 41 7.570 -9.572 9.260 1.00 0.00 O ATOM 660 CB ASN 1 41 7.008 -11.925 7.353 1.00 0.00 C ATOM 661 CG ASN 1 41 7.512 -11.902 5.913 1.00 0.00 C ATOM 662 OD1 ASN 1 41 7.487 -10.724 5.298 1.00 0.00 O flip ATOM 663 ND2 ASN 1 41 7.917 -12.928 5.368 1.00 0.00 N flip ATOM 0 H ASN 1 41 5.504 -10.929 5.732 1.00 0.00 H new ATOM 0 HA ASN 1 41 5.461 -10.944 8.523 1.00 0.00 H new ATOM 0 HB2 ASN 1 41 7.861 -11.957 8.031 1.00 0.00 H new ATOM 0 HB3 ASN 1 41 6.435 -12.837 7.518 1.00 0.00 H new ATOM 0 HD21 ASN 1 41 7.918 -13.811 5.879 1.00 0.00 H new ATOM 0 HD22 ASN 1 41 8.252 -12.896 4.405 1.00 0.00 H new ATOM 670 N ILE 1 42 7.226 -8.534 7.290 1.00 0.00 N ATOM 671 CA ILE 1 42 8.065 -7.411 7.605 1.00 0.00 C ATOM 672 C ILE 1 42 7.311 -6.390 8.417 1.00 0.00 C ATOM 673 O ILE 1 42 7.763 -5.936 9.468 1.00 0.00 O ATOM 674 CB ILE 1 42 8.520 -6.728 6.327 1.00 0.00 C ATOM 675 CG1 ILE 1 42 9.075 -7.748 5.363 1.00 0.00 C ATOM 676 CG2 ILE 1 42 9.533 -5.672 6.637 1.00 0.00 C ATOM 677 CD1 ILE 1 42 8.054 -8.149 4.345 1.00 0.00 C ATOM 0 H ILE 1 42 6.796 -8.489 6.366 1.00 0.00 H new ATOM 0 HA ILE 1 42 8.917 -7.786 8.172 1.00 0.00 H new ATOM 0 HB ILE 1 42 7.663 -6.246 5.856 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 9.950 -7.337 4.860 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 9.407 -8.628 5.914 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 9.851 -5.190 5.712 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.092 -4.928 7.301 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 10.395 -6.127 7.124 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 8.486 -8.884 3.666 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 7.190 -8.583 4.848 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 7.741 -7.272 3.778 1.00 0.00 H new ATOM 689 N LEU 1 43 6.144 -6.041 7.906 1.00 0.00 N ATOM 690 CA LEU 1 43 5.290 -5.088 8.559 1.00 0.00 C ATOM 691 C LEU 1 43 4.171 -5.796 9.286 1.00 0.00 C ATOM 692 O LEU 1 43 3.429 -5.179 10.045 1.00 0.00 O ATOM 693 CB LEU 1 43 4.683 -4.114 7.558 1.00 0.00 C ATOM 694 CG LEU 1 43 5.661 -3.439 6.605 1.00 0.00 C ATOM 695 CD1 LEU 1 43 7.042 -3.292 7.233 1.00 0.00 C ATOM 696 CD2 LEU 1 43 5.741 -4.199 5.294 1.00 0.00 C ATOM 0 H LEU 1 43 5.771 -6.412 7.032 1.00 0.00 H new ATOM 0 HA LEU 1 43 5.904 -4.533 9.269 1.00 0.00 H new ATOM 0 HB2 LEU 1 43 3.940 -4.648 6.966 1.00 0.00 H new ATOM 0 HB3 LEU 1 43 4.152 -3.339 8.111 1.00 0.00 H new ATOM 0 HG LEU 1 43 5.286 -2.436 6.399 1.00 0.00 H new ATOM 0 HD11 LEU 1 43 7.714 -2.807 6.525 1.00 0.00 H new ATOM 0 HD12 LEU 1 43 6.968 -2.687 8.137 1.00 0.00 H new ATOM 0 HD13 LEU 1 43 7.433 -4.277 7.487 1.00 0.00 H new ATOM 0 HD21 LEU 1 43 6.445 -3.701 4.627 1.00 0.00 H new ATOM 0 HD22 LEU 1 43 6.080 -5.217 5.484 1.00 0.00 H new ATOM 0 HD23 LEU 1 43 4.756 -4.225 4.828 1.00 0.00 H new ATOM 708 N VAL 1 44 4.016 -7.093 9.032 1.00 0.00 N ATOM 709 CA VAL 1 44 2.944 -7.827 9.663 1.00 0.00 C ATOM 710 C VAL 1 44 3.327 -9.255 9.942 1.00 0.00 C ATOM 711 O VAL 1 44 2.818 -10.188 9.320 1.00 0.00 O ATOM 712 CB VAL 1 44 1.662 -7.806 8.845 1.00 0.00 C ATOM 713 CG1 VAL 1 44 0.477 -8.121 9.738 1.00 0.00 C ATOM 714 CG2 VAL 1 44 1.478 -6.465 8.159 1.00 0.00 C ATOM 0 H VAL 1 44 4.609 -7.640 8.407 1.00 0.00 H new ATOM 0 HA VAL 1 44 2.760 -7.316 10.608 1.00 0.00 H new ATOM 0 HB VAL 1 44 1.731 -8.568 8.069 1.00 0.00 H new ATOM 0 HG11 VAL 1 44 -0.439 -8.105 9.147 1.00 0.00 H new ATOM 0 HG12 VAL 1 44 0.606 -9.109 10.179 1.00 0.00 H new ATOM 0 HG13 VAL 1 44 0.410 -7.376 10.531 1.00 0.00 H new ATOM 0 HG21 VAL 1 44 0.554 -6.476 7.581 1.00 0.00 H new ATOM 0 HG22 VAL 1 44 1.427 -5.676 8.910 1.00 0.00 H new ATOM 0 HG23 VAL 1 44 2.321 -6.278 7.493 1.00 0.00 H new ATOM 724 N PRO 1 45 4.209 -9.442 10.913 1.00 0.00 N ATOM 725 CA PRO 1 45 4.641 -10.760 11.329 1.00 0.00 C ATOM 726 C PRO 1 45 3.429 -11.640 11.533 1.00 0.00 C ATOM 727 O PRO 1 45 3.447 -12.844 11.278 1.00 0.00 O ATOM 728 CB PRO 1 45 5.327 -10.452 12.652 1.00 0.00 C ATOM 729 CG PRO 1 45 5.887 -9.105 12.464 1.00 0.00 C ATOM 730 CD PRO 1 45 4.818 -8.382 11.722 1.00 0.00 C ATOM 0 HA PRO 1 45 5.283 -11.284 10.621 1.00 0.00 H new ATOM 0 HB2 PRO 1 45 4.621 -10.477 13.482 1.00 0.00 H new ATOM 0 HB3 PRO 1 45 6.107 -11.180 12.875 1.00 0.00 H new ATOM 0 HG2 PRO 1 45 6.107 -8.626 13.418 1.00 0.00 H new ATOM 0 HG3 PRO 1 45 6.819 -9.133 11.899 1.00 0.00 H new ATOM 0 HD2 PRO 1 45 4.096 -7.924 12.398 1.00 0.00 H new ATOM 0 HD3 PRO 1 45 5.225 -7.584 11.102 1.00 0.00 H new ATOM 738 N THR 1 46 2.366 -10.978 11.975 1.00 0.00 N ATOM 739 CA THR 1 46 1.081 -11.611 12.225 1.00 0.00 C ATOM 740 C THR 1 46 0.147 -10.659 12.974 1.00 0.00 C ATOM 741 O THR 1 46 0.600 -9.794 13.724 1.00 0.00 O ATOM 742 CB THR 1 46 1.269 -12.901 13.038 1.00 0.00 C ATOM 743 OG1 THR 1 46 0.085 -13.678 13.026 1.00 0.00 O ATOM 744 CG2 THR 1 46 1.647 -12.662 14.488 1.00 0.00 C ATOM 0 H THR 1 46 2.374 -9.977 12.171 1.00 0.00 H new ATOM 0 HA THR 1 46 0.632 -11.859 11.263 1.00 0.00 H new ATOM 0 HB THR 1 46 2.094 -13.422 12.552 1.00 0.00 H new ATOM 0 HG1 THR 1 46 -0.545 -13.325 13.689 1.00 0.00 H new ATOM 0 HG21 THR 1 46 1.762 -13.619 14.997 1.00 0.00 H new ATOM 0 HG22 THR 1 46 2.587 -12.112 14.533 1.00 0.00 H new ATOM 0 HG23 THR 1 46 0.864 -12.083 14.977 1.00 0.00 H new ATOM 752 N ASP 1 47 -1.158 -10.861 12.807 1.00 0.00 N ATOM 753 CA ASP 1 47 -2.168 -10.052 13.509 1.00 0.00 C ATOM 754 C ASP 1 47 -2.306 -8.617 13.003 1.00 0.00 C ATOM 755 O ASP 1 47 -2.263 -7.674 13.795 1.00 0.00 O ATOM 756 CB ASP 1 47 -1.822 -9.961 14.979 1.00 0.00 C ATOM 757 CG ASP 1 47 -1.132 -11.199 15.523 1.00 0.00 C ATOM 758 OD1 ASP 1 47 -1.493 -12.317 15.096 1.00 0.00 O ATOM 759 OD2 ASP 1 47 -0.231 -11.051 16.377 1.00 0.00 O ATOM 0 H ASP 1 47 -1.547 -11.576 12.193 1.00 0.00 H new ATOM 0 HA ASP 1 47 -3.111 -10.566 13.322 1.00 0.00 H new ATOM 0 HB2 ASP 1 47 -1.177 -9.097 15.138 1.00 0.00 H new ATOM 0 HB3 ASP 1 47 -2.735 -9.786 15.548 1.00 0.00 H new ATOM 764 N PHE 1 48 -2.568 -8.442 11.723 1.00 0.00 N ATOM 765 CA PHE 1 48 -2.785 -7.132 11.180 1.00 0.00 C ATOM 766 C PHE 1 48 -4.214 -6.766 11.474 1.00 0.00 C ATOM 767 O PHE 1 48 -5.125 -7.389 10.945 1.00 0.00 O ATOM 768 CB PHE 1 48 -2.570 -7.146 9.676 1.00 0.00 C ATOM 769 CG PHE 1 48 -1.789 -5.991 9.094 1.00 0.00 C ATOM 770 CD1 PHE 1 48 -1.248 -4.977 9.878 1.00 0.00 C ATOM 771 CD2 PHE 1 48 -1.589 -5.939 7.730 1.00 0.00 C ATOM 772 CE1 PHE 1 48 -0.526 -3.955 9.292 1.00 0.00 C ATOM 773 CE2 PHE 1 48 -0.873 -4.920 7.152 1.00 0.00 C ATOM 774 CZ PHE 1 48 -0.339 -3.930 7.931 1.00 0.00 C ATOM 0 H PHE 1 48 -2.634 -9.200 11.043 1.00 0.00 H new ATOM 0 HA PHE 1 48 -2.091 -6.415 11.619 1.00 0.00 H new ATOM 0 HB2 PHE 1 48 -2.057 -8.071 9.414 1.00 0.00 H new ATOM 0 HB3 PHE 1 48 -3.546 -7.175 9.192 1.00 0.00 H new ATOM 0 HD1 PHE 1 48 -1.393 -4.989 10.948 1.00 0.00 H new ATOM 0 HD2 PHE 1 48 -2.004 -6.715 7.104 1.00 0.00 H new ATOM 0 HE1 PHE 1 48 -0.107 -3.172 9.907 1.00 0.00 H new ATOM 0 HE2 PHE 1 48 -0.731 -4.900 6.082 1.00 0.00 H new ATOM 0 HZ PHE 1 48 0.228 -3.131 7.477 1.00 0.00 H new ATOM 784 N THR 1 49 -4.414 -5.801 12.333 1.00 0.00 N ATOM 785 CA THR 1 49 -5.762 -5.404 12.698 1.00 0.00 C ATOM 786 C THR 1 49 -6.621 -5.248 11.464 1.00 0.00 C ATOM 787 O THR 1 49 -6.700 -4.178 10.864 1.00 0.00 O ATOM 788 CB THR 1 49 -5.772 -4.102 13.466 1.00 0.00 C ATOM 789 OG1 THR 1 49 -4.533 -3.881 14.113 1.00 0.00 O ATOM 790 CG2 THR 1 49 -6.852 -4.047 14.503 1.00 0.00 C ATOM 0 H THR 1 49 -3.672 -5.275 12.794 1.00 0.00 H new ATOM 0 HA THR 1 49 -6.165 -6.191 13.335 1.00 0.00 H new ATOM 0 HB THR 1 49 -5.959 -3.327 12.723 1.00 0.00 H new ATOM 0 HG1 THR 1 49 -4.486 -2.952 14.421 1.00 0.00 H new ATOM 0 HG21 THR 1 49 -6.810 -3.089 15.022 1.00 0.00 H new ATOM 0 HG22 THR 1 49 -7.824 -4.157 14.022 1.00 0.00 H new ATOM 0 HG23 THR 1 49 -6.709 -4.855 15.221 1.00 0.00 H new ATOM 798 N TRP 1 50 -7.282 -6.331 11.117 1.00 0.00 N ATOM 799 CA TRP 1 50 -8.173 -6.373 9.973 1.00 0.00 C ATOM 800 C TRP 1 50 -9.060 -5.132 9.933 1.00 0.00 C ATOM 801 O TRP 1 50 -9.510 -4.695 8.874 1.00 0.00 O ATOM 802 CB TRP 1 50 -9.080 -7.590 10.113 1.00 0.00 C ATOM 803 CG TRP 1 50 -8.447 -8.931 9.854 1.00 0.00 C ATOM 804 CD1 TRP 1 50 -7.114 -9.223 9.808 1.00 0.00 C ATOM 805 CD2 TRP 1 50 -9.134 -10.168 9.611 1.00 0.00 C ATOM 806 NE1 TRP 1 50 -6.931 -10.562 9.549 1.00 0.00 N ATOM 807 CE2 TRP 1 50 -8.156 -11.163 9.426 1.00 0.00 C ATOM 808 CE3 TRP 1 50 -10.483 -10.528 9.535 1.00 0.00 C ATOM 809 CZ2 TRP 1 50 -8.483 -12.492 9.170 1.00 0.00 C ATOM 810 CZ3 TRP 1 50 -10.806 -11.848 9.279 1.00 0.00 C ATOM 811 CH2 TRP 1 50 -9.811 -12.815 9.100 1.00 0.00 C ATOM 0 H TRP 1 50 -7.217 -7.214 11.623 1.00 0.00 H new ATOM 0 HA TRP 1 50 -7.574 -6.420 9.063 1.00 0.00 H new ATOM 0 HB2 TRP 1 50 -9.491 -7.596 11.123 1.00 0.00 H new ATOM 0 HB3 TRP 1 50 -9.920 -7.471 9.428 1.00 0.00 H new ATOM 0 HD1 TRP 1 50 -6.319 -8.507 9.954 1.00 0.00 H new ATOM 0 HE1 TRP 1 50 -6.029 -11.031 9.463 1.00 0.00 H new ATOM 0 HE3 TRP 1 50 -11.258 -9.789 9.674 1.00 0.00 H new ATOM 0 HZ2 TRP 1 50 -7.717 -13.240 9.032 1.00 0.00 H new ATOM 0 HZ3 TRP 1 50 -11.845 -12.137 9.216 1.00 0.00 H new ATOM 0 HH2 TRP 1 50 -10.097 -13.838 8.902 1.00 0.00 H new ATOM 822 N VAL 1 51 -9.313 -4.589 11.114 1.00 0.00 N ATOM 823 CA VAL 1 51 -10.158 -3.417 11.275 1.00 0.00 C ATOM 824 C VAL 1 51 -9.705 -2.287 10.399 1.00 0.00 C ATOM 825 O VAL 1 51 -10.464 -1.735 9.602 1.00 0.00 O ATOM 826 CB VAL 1 51 -10.191 -2.926 12.746 1.00 0.00 C ATOM 827 CG1 VAL 1 51 -8.896 -2.235 13.151 1.00 0.00 C ATOM 828 CG2 VAL 1 51 -11.366 -1.990 12.970 1.00 0.00 C ATOM 0 H VAL 1 51 -8.936 -4.950 11.990 1.00 0.00 H new ATOM 0 HA VAL 1 51 -11.161 -3.724 10.980 1.00 0.00 H new ATOM 0 HB VAL 1 51 -10.306 -3.810 13.373 1.00 0.00 H new ATOM 0 HG11 VAL 1 51 -8.967 -1.909 14.189 1.00 0.00 H new ATOM 0 HG12 VAL 1 51 -8.064 -2.931 13.045 1.00 0.00 H new ATOM 0 HG13 VAL 1 51 -8.729 -1.370 12.509 1.00 0.00 H new ATOM 0 HG21 VAL 1 51 -11.373 -1.656 14.008 1.00 0.00 H new ATOM 0 HG22 VAL 1 51 -11.274 -1.126 12.311 1.00 0.00 H new ATOM 0 HG23 VAL 1 51 -12.296 -2.515 12.752 1.00 0.00 H new ATOM 838 N ASP 1 52 -8.468 -1.931 10.595 1.00 0.00 N ATOM 839 CA ASP 1 52 -7.886 -0.831 9.869 1.00 0.00 C ATOM 840 C ASP 1 52 -6.386 -0.949 9.717 1.00 0.00 C ATOM 841 O ASP 1 52 -5.774 -0.205 8.955 1.00 0.00 O ATOM 842 CB ASP 1 52 -8.206 0.445 10.613 1.00 0.00 C ATOM 843 CG ASP 1 52 -7.781 1.692 9.862 1.00 0.00 C ATOM 844 OD1 ASP 1 52 -7.546 1.597 8.638 1.00 0.00 O ATOM 845 OD2 ASP 1 52 -7.682 2.763 10.497 1.00 0.00 O ATOM 0 H ASP 1 52 -7.837 -2.387 11.254 1.00 0.00 H new ATOM 0 HA ASP 1 52 -8.308 -0.834 8.864 1.00 0.00 H new ATOM 0 HB2 ASP 1 52 -9.279 0.489 10.802 1.00 0.00 H new ATOM 0 HB3 ASP 1 52 -7.712 0.426 11.584 1.00 0.00 H new ATOM 850 N ASN 1 53 -5.789 -1.868 10.441 1.00 0.00 N ATOM 851 CA ASN 1 53 -4.351 -2.030 10.366 1.00 0.00 C ATOM 852 C ASN 1 53 -3.983 -2.941 9.247 1.00 0.00 C ATOM 853 O ASN 1 53 -2.838 -2.976 8.805 1.00 0.00 O ATOM 854 CB ASN 1 53 -3.772 -2.511 11.687 1.00 0.00 C ATOM 855 CG ASN 1 53 -4.040 -1.563 12.859 1.00 0.00 C ATOM 856 OD1 ASN 1 53 -3.532 -1.777 13.959 1.00 0.00 O ATOM 857 ND2 ASN 1 53 -4.821 -0.498 12.641 1.00 0.00 N ATOM 0 H ASN 1 53 -6.265 -2.506 11.079 1.00 0.00 H new ATOM 0 HA ASN 1 53 -3.914 -1.052 10.163 1.00 0.00 H new ATOM 0 HB2 ASN 1 53 -4.189 -3.490 11.921 1.00 0.00 H new ATOM 0 HB3 ASN 1 53 -2.696 -2.641 11.576 1.00 0.00 H new ATOM 0 HD21 ASN 1 53 -5.008 0.161 13.397 1.00 0.00 H new ATOM 0 HD22 ASN 1 53 -5.229 -0.345 11.719 1.00 0.00 H new ATOM 864 N GLY 1 54 -4.973 -3.599 8.732 1.00 0.00 N ATOM 865 CA GLY 1 54 -4.777 -4.406 7.621 1.00 0.00 C ATOM 866 C GLY 1 54 -4.825 -3.550 6.394 1.00 0.00 C ATOM 867 O GLY 1 54 -5.575 -2.575 6.338 1.00 0.00 O ATOM 0 H GLY 1 54 -5.929 -3.577 9.086 1.00 0.00 H new ATOM 0 HA2 GLY 1 54 -3.816 -4.916 7.689 1.00 0.00 H new ATOM 0 HA3 GLY 1 54 -5.545 -5.178 7.574 1.00 0.00 H new ATOM 871 N ILE 1 55 -4.019 -3.881 5.436 1.00 0.00 N ATOM 872 CA ILE 1 55 -3.961 -3.096 4.214 1.00 0.00 C ATOM 873 C ILE 1 55 -5.053 -3.490 3.240 1.00 0.00 C ATOM 874 O ILE 1 55 -5.079 -4.611 2.768 1.00 0.00 O ATOM 875 CB ILE 1 55 -2.603 -3.249 3.482 1.00 0.00 C ATOM 876 CG1 ILE 1 55 -2.791 -3.330 1.986 1.00 0.00 C ATOM 877 CG2 ILE 1 55 -1.836 -4.427 3.951 1.00 0.00 C ATOM 878 CD1 ILE 1 55 -2.703 -1.988 1.350 1.00 0.00 C ATOM 0 H ILE 1 55 -3.389 -4.683 5.462 1.00 0.00 H new ATOM 0 HA ILE 1 55 -4.094 -2.061 4.530 1.00 0.00 H new ATOM 0 HB ILE 1 55 -2.027 -2.355 3.723 1.00 0.00 H new ATOM 0 HG12 ILE 1 55 -2.033 -3.986 1.558 1.00 0.00 H new ATOM 0 HG13 ILE 1 55 -3.761 -3.776 1.764 1.00 0.00 H new ATOM 0 HG21 ILE 1 55 -0.894 -4.488 3.406 1.00 0.00 H new ATOM 0 HG22 ILE 1 55 -1.633 -4.328 5.017 1.00 0.00 H new ATOM 0 HG23 ILE 1 55 -2.416 -5.333 3.775 1.00 0.00 H new ATOM 0 HD11 ILE 1 55 -2.843 -2.086 0.273 1.00 0.00 H new ATOM 0 HD12 ILE 1 55 -3.478 -1.340 1.759 1.00 0.00 H new ATOM 0 HD13 ILE 1 55 -1.723 -1.554 1.551 1.00 0.00 H new ATOM 890 N ALA 1 56 -5.928 -2.560 2.885 1.00 0.00 N ATOM 891 CA ALA 1 56 -6.937 -2.874 1.909 1.00 0.00 C ATOM 892 C ALA 1 56 -6.264 -3.019 0.571 1.00 0.00 C ATOM 893 O ALA 1 56 -6.108 -2.057 -0.180 1.00 0.00 O ATOM 894 CB ALA 1 56 -8.047 -1.837 1.883 1.00 0.00 C ATOM 0 H ALA 1 56 -5.954 -1.609 3.252 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.424 -3.812 2.175 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -8.787 -2.114 1.132 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -8.524 -1.790 2.862 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -7.628 -0.861 1.637 1.00 0.00 H new ATOM 900 N ALA 1 57 -5.813 -4.235 0.323 1.00 0.00 N ATOM 901 CA ALA 1 57 -5.081 -4.567 -0.876 1.00 0.00 C ATOM 902 C ALA 1 57 -5.531 -3.792 -2.114 1.00 0.00 C ATOM 903 O ALA 1 57 -4.720 -3.462 -2.975 1.00 0.00 O ATOM 904 CB ALA 1 57 -5.143 -6.057 -1.140 1.00 0.00 C ATOM 0 H ALA 1 57 -5.948 -5.023 0.956 1.00 0.00 H new ATOM 0 HA ALA 1 57 -4.051 -4.265 -0.688 1.00 0.00 H new ATOM 0 HB1 ALA 1 57 -4.586 -6.289 -2.048 1.00 0.00 H new ATOM 0 HB2 ALA 1 57 -4.706 -6.594 -0.298 1.00 0.00 H new ATOM 0 HB3 ALA 1 57 -6.182 -6.362 -1.264 1.00 0.00 H new ATOM 910 N ASP 1 58 -6.817 -3.503 -2.205 1.00 0.00 N ATOM 911 CA ASP 1 58 -7.346 -2.769 -3.350 1.00 0.00 C ATOM 912 C ASP 1 58 -6.592 -1.463 -3.544 1.00 0.00 C ATOM 913 O ASP 1 58 -6.363 -1.020 -4.669 1.00 0.00 O ATOM 914 CB ASP 1 58 -8.824 -2.487 -3.161 1.00 0.00 C ATOM 915 CG ASP 1 58 -9.490 -1.994 -4.431 1.00 0.00 C ATOM 916 OD1 ASP 1 58 -9.270 -0.820 -4.799 1.00 0.00 O ATOM 917 OD2 ASP 1 58 -10.232 -2.778 -5.057 1.00 0.00 O ATOM 0 H ASP 1 58 -7.514 -3.762 -1.507 1.00 0.00 H new ATOM 0 HA ASP 1 58 -7.214 -3.385 -4.239 1.00 0.00 H new ATOM 0 HB2 ASP 1 58 -9.323 -3.395 -2.822 1.00 0.00 H new ATOM 0 HB3 ASP 1 58 -8.951 -1.742 -2.376 1.00 0.00 H new ATOM 922 N ASP 1 59 -6.214 -0.858 -2.432 1.00 0.00 N ATOM 923 CA ASP 1 59 -5.490 0.387 -2.433 1.00 0.00 C ATOM 924 C ASP 1 59 -4.085 0.227 -2.999 1.00 0.00 C ATOM 925 O ASP 1 59 -3.510 1.188 -3.514 1.00 0.00 O ATOM 926 CB ASP 1 59 -5.399 0.898 -1.003 1.00 0.00 C ATOM 927 CG ASP 1 59 -6.705 0.785 -0.244 1.00 0.00 C ATOM 928 OD1 ASP 1 59 -7.721 0.401 -0.858 1.00 0.00 O ATOM 929 OD2 ASP 1 59 -6.712 1.088 0.968 1.00 0.00 O ATOM 0 H ASP 1 59 -6.405 -1.225 -1.500 1.00 0.00 H new ATOM 0 HA ASP 1 59 -6.025 1.094 -3.068 1.00 0.00 H new ATOM 0 HB2 ASP 1 59 -4.629 0.338 -0.473 1.00 0.00 H new ATOM 0 HB3 ASP 1 59 -5.083 1.941 -1.016 1.00 0.00 H new ATOM 934 N VAL 1 60 -3.513 -0.971 -2.887 1.00 0.00 N ATOM 935 CA VAL 1 60 -2.180 -1.196 -3.374 1.00 0.00 C ATOM 936 C VAL 1 60 -2.164 -1.864 -4.729 1.00 0.00 C ATOM 937 O VAL 1 60 -3.195 -1.992 -5.389 1.00 0.00 O ATOM 938 CB VAL 1 60 -1.373 -2.004 -2.385 1.00 0.00 C ATOM 939 CG1 VAL 1 60 -1.325 -1.270 -1.075 1.00 0.00 C ATOM 940 CG2 VAL 1 60 -1.945 -3.385 -2.244 1.00 0.00 C ATOM 0 H VAL 1 60 -3.959 -1.786 -2.465 1.00 0.00 H new ATOM 0 HA VAL 1 60 -1.722 -0.214 -3.490 1.00 0.00 H new ATOM 0 HB VAL 1 60 -0.351 -2.124 -2.745 1.00 0.00 H new ATOM 0 HG11 VAL 1 60 -0.744 -1.847 -0.356 1.00 0.00 H new ATOM 0 HG12 VAL 1 60 -0.858 -0.296 -1.221 1.00 0.00 H new ATOM 0 HG13 VAL 1 60 -2.338 -1.134 -0.697 1.00 0.00 H new ATOM 0 HG21 VAL 1 60 -1.351 -3.953 -1.528 1.00 0.00 H new ATOM 0 HG22 VAL 1 60 -2.974 -3.318 -1.891 1.00 0.00 H new ATOM 0 HG23 VAL 1 60 -1.925 -3.887 -3.211 1.00 0.00 H new ATOM 950 N ILE 1 61 -0.973 -2.229 -5.163 1.00 0.00 N ATOM 951 CA ILE 1 61 -0.785 -2.813 -6.454 1.00 0.00 C ATOM 952 C ILE 1 61 0.306 -3.867 -6.447 1.00 0.00 C ATOM 953 O ILE 1 61 1.477 -3.567 -6.249 1.00 0.00 O ATOM 954 CB ILE 1 61 -0.441 -1.711 -7.421 1.00 0.00 C ATOM 955 CG1 ILE 1 61 0.018 -0.503 -6.658 1.00 0.00 C ATOM 956 CG2 ILE 1 61 -1.679 -1.326 -8.160 1.00 0.00 C ATOM 957 CD1 ILE 1 61 1.176 0.211 -7.270 1.00 0.00 C ATOM 0 H ILE 1 61 -0.115 -2.124 -4.621 1.00 0.00 H new ATOM 0 HA ILE 1 61 -1.705 -3.315 -6.753 1.00 0.00 H new ATOM 0 HB ILE 1 61 0.339 -2.054 -8.101 1.00 0.00 H new ATOM 0 HG12 ILE 1 61 -0.816 0.193 -6.568 1.00 0.00 H new ATOM 0 HG13 ILE 1 61 0.288 -0.808 -5.647 1.00 0.00 H new ATOM 0 HG21 ILE 1 61 -1.448 -0.528 -8.866 1.00 0.00 H new ATOM 0 HG22 ILE 1 61 -2.063 -2.190 -8.702 1.00 0.00 H new ATOM 0 HG23 ILE 1 61 -2.432 -0.978 -7.453 1.00 0.00 H new ATOM 0 HD11 ILE 1 61 1.441 1.070 -6.654 1.00 0.00 H new ATOM 0 HD12 ILE 1 61 2.028 -0.466 -7.334 1.00 0.00 H new ATOM 0 HD13 ILE 1 61 0.907 0.551 -8.270 1.00 0.00 H new ATOM 969 N GLU 1 62 -0.102 -5.099 -6.658 1.00 0.00 N ATOM 970 CA GLU 1 62 0.808 -6.234 -6.658 1.00 0.00 C ATOM 971 C GLU 1 62 1.849 -6.156 -7.764 1.00 0.00 C ATOM 972 O GLU 1 62 1.523 -6.072 -8.947 1.00 0.00 O ATOM 973 CB GLU 1 62 0.032 -7.554 -6.774 1.00 0.00 C ATOM 974 CG GLU 1 62 -1.376 -7.427 -7.344 1.00 0.00 C ATOM 975 CD GLU 1 62 -1.392 -6.816 -8.731 1.00 0.00 C ATOM 976 OE1 GLU 1 62 -0.747 -7.385 -9.637 1.00 0.00 O ATOM 977 OE2 GLU 1 62 -2.052 -5.773 -8.912 1.00 0.00 O ATOM 0 H GLU 1 62 -1.075 -5.347 -6.835 1.00 0.00 H new ATOM 0 HA GLU 1 62 1.337 -6.201 -5.706 1.00 0.00 H new ATOM 0 HB2 GLU 1 62 0.602 -8.239 -7.403 1.00 0.00 H new ATOM 0 HB3 GLU 1 62 -0.032 -8.008 -5.785 1.00 0.00 H new ATOM 0 HG2 GLU 1 62 -1.839 -8.413 -7.380 1.00 0.00 H new ATOM 0 HG3 GLU 1 62 -1.981 -6.815 -6.675 1.00 0.00 H new ATOM 984 N VAL 1 63 3.108 -6.213 -7.354 1.00 0.00 N ATOM 985 CA VAL 1 63 4.216 -6.187 -8.279 1.00 0.00 C ATOM 986 C VAL 1 63 4.861 -7.568 -8.345 1.00 0.00 C ATOM 987 O VAL 1 63 4.767 -8.345 -7.394 1.00 0.00 O ATOM 988 CB VAL 1 63 5.287 -5.168 -7.847 1.00 0.00 C ATOM 989 CG1 VAL 1 63 4.944 -3.770 -8.326 1.00 0.00 C ATOM 990 CG2 VAL 1 63 5.460 -5.187 -6.339 1.00 0.00 C ATOM 0 H VAL 1 63 3.382 -6.278 -6.374 1.00 0.00 H new ATOM 0 HA VAL 1 63 3.826 -5.896 -9.255 1.00 0.00 H new ATOM 0 HB VAL 1 63 6.230 -5.457 -8.311 1.00 0.00 H new ATOM 0 HG11 VAL 1 63 5.720 -3.075 -8.005 1.00 0.00 H new ATOM 0 HG12 VAL 1 63 4.879 -3.764 -9.414 1.00 0.00 H new ATOM 0 HG13 VAL 1 63 3.986 -3.466 -7.904 1.00 0.00 H new ATOM 0 HG21 VAL 1 63 6.220 -4.461 -6.051 1.00 0.00 H new ATOM 0 HG22 VAL 1 63 4.514 -4.931 -5.861 1.00 0.00 H new ATOM 0 HG23 VAL 1 63 5.770 -6.182 -6.021 1.00 0.00 H new ATOM 1000 N THR 1 64 5.534 -7.869 -9.450 1.00 0.00 N ATOM 1001 CA THR 1 64 6.202 -9.160 -9.589 1.00 0.00 C ATOM 1002 C THR 1 64 7.578 -9.083 -8.953 1.00 0.00 C ATOM 1003 O THR 1 64 8.101 -7.990 -8.769 1.00 0.00 O ATOM 1004 CB THR 1 64 6.314 -9.584 -11.056 1.00 0.00 C ATOM 1005 OG1 THR 1 64 7.464 -9.019 -11.659 1.00 0.00 O ATOM 1006 CG2 THR 1 64 5.112 -9.200 -11.894 1.00 0.00 C ATOM 0 H THR 1 64 5.632 -7.247 -10.253 1.00 0.00 H new ATOM 0 HA THR 1 64 5.603 -9.915 -9.080 1.00 0.00 H new ATOM 0 HB THR 1 64 6.378 -10.672 -11.031 1.00 0.00 H new ATOM 0 HG1 THR 1 64 7.516 -9.304 -12.595 1.00 0.00 H new ATOM 0 HG21 THR 1 64 5.263 -9.533 -12.921 1.00 0.00 H new ATOM 0 HG22 THR 1 64 4.218 -9.673 -11.487 1.00 0.00 H new ATOM 0 HG23 THR 1 64 4.988 -8.117 -11.878 1.00 0.00 H new ATOM 1014 N SER 1 65 8.149 -10.245 -8.624 1.00 0.00 N ATOM 1015 CA SER 1 65 9.463 -10.332 -7.975 1.00 0.00 C ATOM 1016 C SER 1 65 10.450 -9.290 -8.498 1.00 0.00 C ATOM 1017 O SER 1 65 11.284 -8.787 -7.743 1.00 0.00 O ATOM 1018 CB SER 1 65 10.047 -11.730 -8.169 1.00 0.00 C ATOM 1019 OG SER 1 65 10.416 -11.947 -9.520 1.00 0.00 O ATOM 0 H SER 1 65 7.715 -11.151 -8.799 1.00 0.00 H new ATOM 0 HA SER 1 65 9.308 -10.130 -6.915 1.00 0.00 H new ATOM 0 HB2 SER 1 65 10.918 -11.856 -7.526 1.00 0.00 H new ATOM 0 HB3 SER 1 65 9.316 -12.478 -7.864 1.00 0.00 H new ATOM 0 HG SER 1 65 10.788 -12.848 -9.617 1.00 0.00 H new ATOM 1025 N ASN 1 66 10.361 -8.963 -9.780 1.00 0.00 N ATOM 1026 CA ASN 1 66 11.251 -7.981 -10.368 1.00 0.00 C ATOM 1027 C ASN 1 66 10.800 -6.562 -10.034 1.00 0.00 C ATOM 1028 O ASN 1 66 11.483 -5.586 -10.341 1.00 0.00 O ATOM 1029 CB ASN 1 66 11.293 -8.149 -11.871 1.00 0.00 C ATOM 1030 CG ASN 1 66 12.673 -7.900 -12.447 1.00 0.00 C ATOM 1031 OD1 ASN 1 66 13.673 -8.401 -11.933 1.00 0.00 O ATOM 1032 ND2 ASN 1 66 12.735 -7.122 -13.522 1.00 0.00 N ATOM 0 H ASN 1 66 9.683 -9.364 -10.428 1.00 0.00 H new ATOM 0 HA ASN 1 66 12.246 -8.141 -9.952 1.00 0.00 H new ATOM 0 HB2 ASN 1 66 10.972 -9.158 -12.129 1.00 0.00 H new ATOM 0 HB3 ASN 1 66 10.582 -7.462 -12.330 1.00 0.00 H new ATOM 0 HD21 ASN 1 66 13.637 -6.919 -13.954 1.00 0.00 H new ATOM 0 HD22 ASN 1 66 11.881 -6.727 -13.916 1.00 0.00 H new ATOM 1039 N GLY 1 67 9.636 -6.469 -9.415 1.00 0.00 N ATOM 1040 CA GLY 1 67 9.069 -5.191 -9.048 1.00 0.00 C ATOM 1041 C GLY 1 67 8.138 -4.671 -10.114 1.00 0.00 C ATOM 1042 O GLY 1 67 7.904 -3.467 -10.212 1.00 0.00 O ATOM 0 H GLY 1 67 9.064 -7.273 -9.156 1.00 0.00 H new ATOM 0 HA2 GLY 1 67 8.527 -5.289 -8.107 1.00 0.00 H new ATOM 0 HA3 GLY 1 67 9.870 -4.471 -8.881 1.00 0.00 H new ATOM 1046 N THR 1 68 7.610 -5.583 -10.927 1.00 0.00 N ATOM 1047 CA THR 1 68 6.713 -5.209 -11.998 1.00 0.00 C ATOM 1048 C THR 1 68 5.359 -4.784 -11.442 1.00 0.00 C ATOM 1049 O THR 1 68 4.662 -5.570 -10.808 1.00 0.00 O ATOM 1050 CB THR 1 68 6.569 -6.371 -12.983 1.00 0.00 C ATOM 1051 OG1 THR 1 68 7.415 -6.187 -14.105 1.00 0.00 O ATOM 1052 CG2 THR 1 68 5.165 -6.549 -13.494 1.00 0.00 C ATOM 0 H THR 1 68 7.793 -6.584 -10.858 1.00 0.00 H new ATOM 0 HA THR 1 68 7.131 -4.355 -12.531 1.00 0.00 H new ATOM 0 HB THR 1 68 6.849 -7.261 -12.420 1.00 0.00 H new ATOM 0 HG1 THR 1 68 7.309 -6.941 -14.722 1.00 0.00 H new ATOM 0 HG21 THR 1 68 5.134 -7.389 -14.187 1.00 0.00 H new ATOM 0 HG22 THR 1 68 4.495 -6.744 -12.657 1.00 0.00 H new ATOM 0 HG23 THR 1 68 4.847 -5.642 -14.009 1.00 0.00 H new ATOM 1060 N ARG 1 69 5.011 -3.523 -11.654 1.00 0.00 N ATOM 1061 CA ARG 1 69 3.748 -2.980 -11.162 1.00 0.00 C ATOM 1062 C ARG 1 69 2.554 -3.486 -11.966 1.00 0.00 C ATOM 1063 O ARG 1 69 2.619 -3.624 -13.186 1.00 0.00 O ATOM 1064 CB ARG 1 69 3.786 -1.451 -11.177 1.00 0.00 C ATOM 1065 CG ARG 1 69 4.067 -0.836 -9.815 1.00 0.00 C ATOM 1066 CD ARG 1 69 4.656 0.561 -9.942 1.00 0.00 C ATOM 1067 NE ARG 1 69 3.680 1.600 -9.618 1.00 0.00 N ATOM 1068 CZ ARG 1 69 2.769 2.057 -10.476 1.00 0.00 C ATOM 1069 NH1 ARG 1 69 2.700 1.567 -11.707 1.00 0.00 N ATOM 1070 NH2 ARG 1 69 1.922 3.004 -10.099 1.00 0.00 N ATOM 0 H ARG 1 69 5.586 -2.853 -12.165 1.00 0.00 H new ATOM 0 HA ARG 1 69 3.622 -3.328 -10.137 1.00 0.00 H new ATOM 0 HB2 ARG 1 69 4.551 -1.122 -11.880 1.00 0.00 H new ATOM 0 HB3 ARG 1 69 2.831 -1.076 -11.546 1.00 0.00 H new ATOM 0 HG2 ARG 1 69 3.143 -0.791 -9.238 1.00 0.00 H new ATOM 0 HG3 ARG 1 69 4.757 -1.474 -9.263 1.00 0.00 H new ATOM 0 HD2 ARG 1 69 5.516 0.653 -9.279 1.00 0.00 H new ATOM 0 HD3 ARG 1 69 5.019 0.710 -10.959 1.00 0.00 H new ATOM 0 HE ARG 1 69 3.698 1.999 -8.679 1.00 0.00 H new ATOM 0 HH11 ARG 1 69 3.347 0.836 -12.002 1.00 0.00 H new ATOM 0 HH12 ARG 1 69 2.000 1.922 -12.359 1.00 0.00 H new ATOM 0 HH21 ARG 1 69 1.968 3.382 -9.153 1.00 0.00 H new ATOM 0 HH22 ARG 1 69 1.224 3.355 -10.755 1.00 0.00 H new ATOM 1084 N THR 1 70 1.454 -3.739 -11.257 1.00 0.00 N ATOM 1085 CA THR 1 70 0.215 -4.215 -11.869 1.00 0.00 C ATOM 1086 C THR 1 70 0.471 -5.291 -12.921 1.00 0.00 C ATOM 1087 O THR 1 70 0.373 -5.036 -14.121 1.00 0.00 O ATOM 1088 CB THR 1 70 -0.549 -3.046 -12.495 1.00 0.00 C ATOM 1089 OG1 THR 1 70 0.289 -2.306 -13.367 1.00 0.00 O ATOM 1090 CG2 THR 1 70 -1.116 -2.085 -11.472 1.00 0.00 C ATOM 0 H THR 1 70 1.397 -3.620 -10.246 1.00 0.00 H new ATOM 0 HA THR 1 70 -0.386 -4.663 -11.078 1.00 0.00 H new ATOM 0 HB THR 1 70 -1.377 -3.501 -13.039 1.00 0.00 H new ATOM 0 HG1 THR 1 70 1.030 -2.873 -13.668 1.00 0.00 H new ATOM 0 HG21 THR 1 70 -1.645 -1.280 -11.983 1.00 0.00 H new ATOM 0 HG22 THR 1 70 -1.808 -2.616 -10.818 1.00 0.00 H new ATOM 0 HG23 THR 1 70 -0.304 -1.666 -10.878 1.00 0.00 H new ATOM 1098 N SER 1 71 0.778 -6.498 -12.460 1.00 0.00 N ATOM 1099 CA SER 1 71 1.028 -7.618 -13.360 1.00 0.00 C ATOM 1100 C SER 1 71 -0.253 -8.415 -13.583 1.00 0.00 C ATOM 1101 O SER 1 71 -0.626 -8.712 -14.718 1.00 0.00 O ATOM 1102 CB SER 1 71 2.115 -8.528 -12.784 1.00 0.00 C ATOM 1103 OG SER 1 71 2.731 -9.298 -13.802 1.00 0.00 O ATOM 0 H SER 1 71 0.860 -6.726 -11.469 1.00 0.00 H new ATOM 0 HA SER 1 71 1.368 -7.223 -14.317 1.00 0.00 H new ATOM 0 HB2 SER 1 71 2.867 -7.924 -12.276 1.00 0.00 H new ATOM 0 HB3 SER 1 71 1.680 -9.191 -12.036 1.00 0.00 H new ATOM 0 HG SER 1 71 3.037 -10.151 -13.428 1.00 0.00 H new ATOM 1109 N ASP 1 72 -0.925 -8.753 -12.486 1.00 0.00 N ATOM 1110 CA ASP 1 72 -2.170 -9.511 -12.543 1.00 0.00 C ATOM 1111 C ASP 1 72 -3.380 -8.591 -12.409 1.00 0.00 C ATOM 1112 O ASP 1 72 -4.476 -8.923 -12.859 1.00 0.00 O ATOM 1113 CB ASP 1 72 -2.197 -10.559 -11.429 1.00 0.00 C ATOM 1114 CG ASP 1 72 -1.201 -11.678 -11.660 1.00 0.00 C ATOM 1115 OD1 ASP 1 72 -0.039 -11.538 -11.226 1.00 0.00 O ATOM 1116 OD2 ASP 1 72 -1.585 -12.696 -12.275 1.00 0.00 O ATOM 0 H ASP 1 72 -0.625 -8.512 -11.541 1.00 0.00 H new ATOM 0 HA ASP 1 72 -2.219 -10.007 -13.512 1.00 0.00 H new ATOM 0 HB2 ASP 1 72 -1.982 -10.077 -10.476 1.00 0.00 H new ATOM 0 HB3 ASP 1 72 -3.200 -10.979 -11.354 1.00 0.00 H new ATOM 1121 N GLN 1 73 -3.172 -7.439 -11.765 1.00 0.00 N ATOM 1122 CA GLN 1 73 -4.236 -6.455 -11.538 1.00 0.00 C ATOM 1123 C GLN 1 73 -5.102 -6.843 -10.340 1.00 0.00 C ATOM 1124 O GLN 1 73 -5.697 -5.986 -9.687 1.00 0.00 O ATOM 1125 CB GLN 1 73 -5.101 -6.259 -12.792 1.00 0.00 C ATOM 1126 CG GLN 1 73 -4.982 -4.870 -13.399 1.00 0.00 C ATOM 1127 CD GLN 1 73 -6.209 -4.015 -13.151 1.00 0.00 C ATOM 1128 OE1 GLN 1 73 -7.284 -4.527 -12.839 1.00 0.00 O ATOM 1129 NE2 GLN 1 73 -6.054 -2.703 -13.292 1.00 0.00 N ATOM 0 H GLN 1 73 -2.266 -7.162 -11.388 1.00 0.00 H new ATOM 0 HA GLN 1 73 -3.753 -5.504 -11.314 1.00 0.00 H new ATOM 0 HB2 GLN 1 73 -4.816 -6.999 -13.540 1.00 0.00 H new ATOM 0 HB3 GLN 1 73 -6.144 -6.448 -12.538 1.00 0.00 H new ATOM 0 HG2 GLN 1 73 -4.107 -4.371 -12.984 1.00 0.00 H new ATOM 0 HG3 GLN 1 73 -4.818 -4.960 -14.473 1.00 0.00 H new ATOM 0 HE21 GLN 1 73 -5.144 -2.322 -13.552 1.00 0.00 H new ATOM 0 HE22 GLN 1 73 -6.845 -2.077 -13.140 1.00 0.00 H new ATOM 1138 N VAL 1 74 -5.144 -8.134 -10.049 1.00 0.00 N ATOM 1139 CA VAL 1 74 -5.908 -8.653 -8.918 1.00 0.00 C ATOM 1140 C VAL 1 74 -4.958 -9.139 -7.826 1.00 0.00 C ATOM 1141 O VAL 1 74 -4.188 -10.076 -8.036 1.00 0.00 O ATOM 1142 CB VAL 1 74 -6.838 -9.810 -9.340 1.00 0.00 C ATOM 1143 CG1 VAL 1 74 -6.036 -10.965 -9.920 1.00 0.00 C ATOM 1144 CG2 VAL 1 74 -7.680 -10.276 -8.161 1.00 0.00 C ATOM 0 H VAL 1 74 -4.654 -8.850 -10.585 1.00 0.00 H new ATOM 0 HA VAL 1 74 -6.527 -7.840 -8.538 1.00 0.00 H new ATOM 0 HB VAL 1 74 -7.509 -9.442 -10.116 1.00 0.00 H new ATOM 0 HG11 VAL 1 74 -6.713 -11.769 -10.210 1.00 0.00 H new ATOM 0 HG12 VAL 1 74 -5.484 -10.622 -10.795 1.00 0.00 H new ATOM 0 HG13 VAL 1 74 -5.335 -11.334 -9.171 1.00 0.00 H new ATOM 0 HG21 VAL 1 74 -8.329 -11.092 -8.478 1.00 0.00 H new ATOM 0 HG22 VAL 1 74 -7.026 -10.622 -7.361 1.00 0.00 H new ATOM 0 HG23 VAL 1 74 -8.289 -9.448 -7.799 1.00 0.00 H new ATOM 1154 N LEU 1 75 -4.995 -8.485 -6.671 1.00 0.00 N ATOM 1155 CA LEU 1 75 -4.111 -8.846 -5.569 1.00 0.00 C ATOM 1156 C LEU 1 75 -4.427 -10.219 -4.998 1.00 0.00 C ATOM 1157 O LEU 1 75 -5.579 -10.651 -4.955 1.00 0.00 O ATOM 1158 CB LEU 1 75 -4.179 -7.808 -4.459 1.00 0.00 C ATOM 1159 CG LEU 1 75 -2.826 -7.256 -4.016 1.00 0.00 C ATOM 1160 CD1 LEU 1 75 -2.950 -5.794 -3.625 1.00 0.00 C ATOM 1161 CD2 LEU 1 75 -2.266 -8.076 -2.864 1.00 0.00 C ATOM 0 H LEU 1 75 -5.624 -7.706 -6.474 1.00 0.00 H new ATOM 0 HA LEU 1 75 -3.102 -8.877 -5.980 1.00 0.00 H new ATOM 0 HB2 LEU 1 75 -4.802 -6.979 -4.794 1.00 0.00 H new ATOM 0 HB3 LEU 1 75 -4.675 -8.251 -3.596 1.00 0.00 H new ATOM 0 HG LEU 1 75 -2.133 -7.328 -4.854 1.00 0.00 H new ATOM 0 HD11 LEU 1 75 -1.976 -5.417 -3.312 1.00 0.00 H new ATOM 0 HD12 LEU 1 75 -3.305 -5.218 -4.480 1.00 0.00 H new ATOM 0 HD13 LEU 1 75 -3.658 -5.696 -2.802 1.00 0.00 H new ATOM 0 HD21 LEU 1 75 -1.302 -7.668 -2.562 1.00 0.00 H new ATOM 0 HD22 LEU 1 75 -2.956 -8.038 -2.021 1.00 0.00 H new ATOM 0 HD23 LEU 1 75 -2.138 -9.111 -3.182 1.00 0.00 H new ATOM 1173 N GLN 1 76 -3.375 -10.873 -4.537 1.00 0.00 N ATOM 1174 CA GLN 1 76 -3.470 -12.188 -3.931 1.00 0.00 C ATOM 1175 C GLN 1 76 -2.260 -12.419 -3.032 1.00 0.00 C ATOM 1176 O GLN 1 76 -1.124 -12.160 -3.429 1.00 0.00 O ATOM 1177 CB GLN 1 76 -3.541 -13.270 -5.009 1.00 0.00 C ATOM 1178 CG GLN 1 76 -4.521 -12.950 -6.128 1.00 0.00 C ATOM 1179 CD GLN 1 76 -4.656 -14.080 -7.128 1.00 0.00 C ATOM 1180 OE1 GLN 1 76 -4.238 -13.960 -8.279 1.00 0.00 O ATOM 1181 NE2 GLN 1 76 -5.245 -15.187 -6.692 1.00 0.00 N ATOM 0 H GLN 1 76 -2.425 -10.503 -4.573 1.00 0.00 H new ATOM 0 HA GLN 1 76 -4.380 -12.241 -3.334 1.00 0.00 H new ATOM 0 HB2 GLN 1 76 -2.548 -13.412 -5.436 1.00 0.00 H new ATOM 0 HB3 GLN 1 76 -3.827 -14.215 -4.546 1.00 0.00 H new ATOM 0 HG2 GLN 1 76 -5.499 -12.732 -5.698 1.00 0.00 H new ATOM 0 HG3 GLN 1 76 -4.193 -12.049 -6.646 1.00 0.00 H new ATOM 0 HE21 GLN 1 76 -5.577 -15.243 -5.729 1.00 0.00 H new ATOM 0 HE22 GLN 1 76 -5.366 -15.982 -7.320 1.00 0.00 H new ATOM 1190 N LYS 1 77 -2.507 -12.897 -1.824 1.00 0.00 N ATOM 1191 CA LYS 1 77 -1.426 -13.145 -0.871 1.00 0.00 C ATOM 1192 C LYS 1 77 -0.587 -14.352 -1.223 1.00 0.00 C ATOM 1193 O LYS 1 77 -1.062 -15.307 -1.839 1.00 0.00 O ATOM 1194 CB LYS 1 77 -1.929 -13.302 0.554 1.00 0.00 C ATOM 1195 CG LYS 1 77 -2.557 -14.657 0.849 1.00 0.00 C ATOM 1196 CD LYS 1 77 -4.038 -14.675 0.514 1.00 0.00 C ATOM 1197 CE LYS 1 77 -4.701 -15.968 0.961 1.00 0.00 C ATOM 1198 NZ LYS 1 77 -6.172 -15.948 0.727 1.00 0.00 N ATOM 0 H LYS 1 77 -3.439 -13.122 -1.477 1.00 0.00 H new ATOM 0 HA LYS 1 77 -0.800 -12.255 -0.936 1.00 0.00 H new ATOM 0 HB2 LYS 1 77 -1.097 -13.142 1.240 1.00 0.00 H new ATOM 0 HB3 LYS 1 77 -2.663 -12.522 0.756 1.00 0.00 H new ATOM 0 HG2 LYS 1 77 -2.045 -15.428 0.274 1.00 0.00 H new ATOM 0 HG3 LYS 1 77 -2.419 -14.900 1.903 1.00 0.00 H new ATOM 0 HD2 LYS 1 77 -4.530 -13.829 0.994 1.00 0.00 H new ATOM 0 HD3 LYS 1 77 -4.169 -14.552 -0.561 1.00 0.00 H new ATOM 0 HE2 LYS 1 77 -4.259 -16.807 0.423 1.00 0.00 H new ATOM 0 HE3 LYS 1 77 -4.504 -16.129 2.021 1.00 0.00 H new ATOM 0 HZ1 LYS 1 77 -6.586 -16.847 1.045 1.00 0.00 H new ATOM 0 HZ2 LYS 1 77 -6.598 -15.163 1.260 1.00 0.00 H new ATOM 0 HZ3 LYS 1 77 -6.360 -15.820 -0.288 1.00 0.00 H new ATOM 1212 N GLY 1 78 0.670 -14.296 -0.811 1.00 0.00 N ATOM 1213 CA GLY 1 78 1.580 -15.379 -1.065 1.00 0.00 C ATOM 1214 C GLY 1 78 2.717 -14.948 -1.942 1.00 0.00 C ATOM 1215 O GLY 1 78 3.402 -15.786 -2.531 1.00 0.00 O ATOM 0 H GLY 1 78 1.073 -13.510 -0.301 1.00 0.00 H new ATOM 0 HA2 GLY 1 78 1.971 -15.756 -0.120 1.00 0.00 H new ATOM 0 HA3 GLY 1 78 1.045 -16.201 -1.540 1.00 0.00 H new ATOM 1219 N GLY 1 79 2.926 -13.637 -2.052 1.00 0.00 N ATOM 1220 CA GLY 1 79 4.000 -13.176 -2.897 1.00 0.00 C ATOM 1221 C GLY 1 79 4.584 -11.843 -2.498 1.00 0.00 C ATOM 1222 O GLY 1 79 5.284 -11.729 -1.493 1.00 0.00 O ATOM 0 H GLY 1 79 2.385 -12.910 -1.584 1.00 0.00 H new ATOM 0 HA2 GLY 1 79 4.795 -13.922 -2.892 1.00 0.00 H new ATOM 0 HA3 GLY 1 79 3.634 -13.106 -3.921 1.00 0.00 H new ATOM 1226 N TYR 1 80 4.303 -10.844 -3.316 1.00 0.00 N ATOM 1227 CA TYR 1 80 4.792 -9.498 -3.106 1.00 0.00 C ATOM 1228 C TYR 1 80 3.828 -8.499 -3.711 1.00 0.00 C ATOM 1229 O TYR 1 80 3.047 -8.840 -4.600 1.00 0.00 O ATOM 1230 CB TYR 1 80 6.173 -9.317 -3.750 1.00 0.00 C ATOM 1231 CG TYR 1 80 7.001 -10.580 -3.819 1.00 0.00 C ATOM 1232 CD1 TYR 1 80 6.759 -11.538 -4.795 1.00 0.00 C ATOM 1233 CD2 TYR 1 80 8.026 -10.810 -2.911 1.00 0.00 C ATOM 1234 CE1 TYR 1 80 7.515 -12.693 -4.864 1.00 0.00 C ATOM 1235 CE2 TYR 1 80 8.787 -11.962 -2.973 1.00 0.00 C ATOM 1236 CZ TYR 1 80 8.528 -12.901 -3.950 1.00 0.00 C ATOM 1237 OH TYR 1 80 9.283 -14.050 -4.018 1.00 0.00 O ATOM 0 H TYR 1 80 3.725 -10.948 -4.150 1.00 0.00 H new ATOM 0 HA TYR 1 80 4.875 -9.328 -2.032 1.00 0.00 H new ATOM 0 HB2 TYR 1 80 6.041 -8.928 -4.760 1.00 0.00 H new ATOM 0 HB3 TYR 1 80 6.726 -8.565 -3.188 1.00 0.00 H new ATOM 0 HD1 TYR 1 80 5.967 -11.378 -5.512 1.00 0.00 H new ATOM 0 HD2 TYR 1 80 8.232 -10.077 -2.145 1.00 0.00 H new ATOM 0 HE1 TYR 1 80 7.314 -13.429 -5.629 1.00 0.00 H new ATOM 0 HE2 TYR 1 80 9.581 -12.126 -2.260 1.00 0.00 H new ATOM 0 HH TYR 1 80 9.955 -14.043 -3.304 1.00 0.00 H new ATOM 1247 N PHE 1 81 3.915 -7.261 -3.271 1.00 0.00 N ATOM 1248 CA PHE 1 81 3.074 -6.217 -3.830 1.00 0.00 C ATOM 1249 C PHE 1 81 3.713 -4.881 -3.657 1.00 0.00 C ATOM 1250 O PHE 1 81 4.721 -4.731 -3.001 1.00 0.00 O ATOM 1251 CB PHE 1 81 1.678 -6.173 -3.222 1.00 0.00 C ATOM 1252 CG PHE 1 81 1.672 -6.089 -1.734 1.00 0.00 C ATOM 1253 CD1 PHE 1 81 2.220 -7.107 -0.980 1.00 0.00 C ATOM 1254 CD2 PHE 1 81 1.091 -5.003 -1.087 1.00 0.00 C ATOM 1255 CE1 PHE 1 81 2.186 -7.051 0.401 1.00 0.00 C ATOM 1256 CE2 PHE 1 81 1.061 -4.938 0.281 1.00 0.00 C ATOM 1257 CZ PHE 1 81 1.606 -5.963 1.032 1.00 0.00 C ATOM 0 H PHE 1 81 4.551 -6.953 -2.536 1.00 0.00 H new ATOM 0 HA PHE 1 81 2.967 -6.459 -4.887 1.00 0.00 H new ATOM 0 HB2 PHE 1 81 1.142 -5.314 -3.627 1.00 0.00 H new ATOM 0 HB3 PHE 1 81 1.130 -7.064 -3.528 1.00 0.00 H new ATOM 0 HD1 PHE 1 81 2.678 -7.952 -1.472 1.00 0.00 H new ATOM 0 HD2 PHE 1 81 0.659 -4.203 -1.669 1.00 0.00 H new ATOM 0 HE1 PHE 1 81 2.611 -7.853 0.986 1.00 0.00 H new ATOM 0 HE2 PHE 1 81 0.612 -4.087 0.772 1.00 0.00 H new ATOM 0 HZ PHE 1 81 1.579 -5.915 2.111 1.00 0.00 H new ATOM 1267 N VAL 1 82 3.110 -3.905 -4.246 1.00 0.00 N ATOM 1268 CA VAL 1 82 3.622 -2.573 -4.140 1.00 0.00 C ATOM 1269 C VAL 1 82 2.460 -1.641 -3.945 1.00 0.00 C ATOM 1270 O VAL 1 82 1.525 -1.647 -4.725 1.00 0.00 O ATOM 1271 CB VAL 1 82 4.463 -2.222 -5.390 1.00 0.00 C ATOM 1272 CG1 VAL 1 82 4.049 -0.902 -6.032 1.00 0.00 C ATOM 1273 CG2 VAL 1 82 5.943 -2.198 -5.037 1.00 0.00 C ATOM 0 H VAL 1 82 2.263 -3.999 -4.806 1.00 0.00 H new ATOM 0 HA VAL 1 82 4.290 -2.478 -3.284 1.00 0.00 H new ATOM 0 HB VAL 1 82 4.275 -3.002 -6.128 1.00 0.00 H new ATOM 0 HG11 VAL 1 82 4.674 -0.709 -6.904 1.00 0.00 H new ATOM 0 HG12 VAL 1 82 3.005 -0.959 -6.340 1.00 0.00 H new ATOM 0 HG13 VAL 1 82 4.171 -0.093 -5.312 1.00 0.00 H new ATOM 0 HG21 VAL 1 82 6.525 -1.950 -5.925 1.00 0.00 H new ATOM 0 HG22 VAL 1 82 6.121 -1.449 -4.265 1.00 0.00 H new ATOM 0 HG23 VAL 1 82 6.245 -3.178 -4.668 1.00 0.00 H new ATOM 1283 N ILE 1 83 2.516 -0.861 -2.893 1.00 0.00 N ATOM 1284 CA ILE 1 83 1.441 0.052 -2.589 1.00 0.00 C ATOM 1285 C ILE 1 83 1.434 1.207 -3.549 1.00 0.00 C ATOM 1286 O ILE 1 83 2.334 2.046 -3.532 1.00 0.00 O ATOM 1287 CB ILE 1 83 1.583 0.622 -1.179 1.00 0.00 C ATOM 1288 CG1 ILE 1 83 1.375 -0.451 -0.099 1.00 0.00 C ATOM 1289 CG2 ILE 1 83 0.630 1.791 -0.962 1.00 0.00 C ATOM 1290 CD1 ILE 1 83 1.654 -1.869 -0.542 1.00 0.00 C ATOM 0 H ILE 1 83 3.294 -0.840 -2.233 1.00 0.00 H new ATOM 0 HA ILE 1 83 0.514 -0.515 -2.670 1.00 0.00 H new ATOM 0 HB ILE 1 83 2.606 0.987 -1.086 1.00 0.00 H new ATOM 0 HG12 ILE 1 83 2.018 -0.219 0.750 1.00 0.00 H new ATOM 0 HG13 ILE 1 83 0.346 -0.393 0.255 1.00 0.00 H new ATOM 0 HG21 ILE 1 83 0.752 2.177 0.050 1.00 0.00 H new ATOM 0 HG22 ILE 1 83 0.852 2.580 -1.681 1.00 0.00 H new ATOM 0 HG23 ILE 1 83 -0.397 1.453 -1.100 1.00 0.00 H new ATOM 0 HD11 ILE 1 83 1.479 -2.551 0.290 1.00 0.00 H new ATOM 0 HD12 ILE 1 83 0.993 -2.128 -1.369 1.00 0.00 H new ATOM 0 HD13 ILE 1 83 2.691 -1.951 -0.866 1.00 0.00 H new ATOM 1302 N ASN 1 84 0.408 1.271 -4.369 1.00 0.00 N ATOM 1303 CA ASN 1 84 0.302 2.357 -5.303 1.00 0.00 C ATOM 1304 C ASN 1 84 0.395 3.675 -4.529 1.00 0.00 C ATOM 1305 O ASN 1 84 -0.489 4.001 -3.738 1.00 0.00 O ATOM 1306 CB ASN 1 84 -1.030 2.272 -6.038 1.00 0.00 C ATOM 1307 CG ASN 1 84 -0.899 2.388 -7.541 1.00 0.00 C ATOM 1308 OD1 ASN 1 84 -1.488 1.610 -8.289 1.00 0.00 O ATOM 1309 ND2 ASN 1 84 -0.121 3.359 -7.988 1.00 0.00 N ATOM 0 H ASN 1 84 -0.352 0.592 -4.405 1.00 0.00 H new ATOM 0 HA ASN 1 84 1.107 2.304 -6.036 1.00 0.00 H new ATOM 0 HB2 ASN 1 84 -1.510 1.324 -5.795 1.00 0.00 H new ATOM 0 HB3 ASN 1 84 -1.687 3.063 -5.676 1.00 0.00 H new ATOM 0 HD21 ASN 1 84 0.010 3.486 -8.991 1.00 0.00 H new ATOM 0 HD22 ASN 1 84 0.348 3.981 -7.329 1.00 0.00 H new ATOM 1316 N PRO 1 85 1.469 4.446 -4.750 1.00 0.00 N ATOM 1317 CA PRO 1 85 1.694 5.737 -4.076 1.00 0.00 C ATOM 1318 C PRO 1 85 0.750 6.780 -4.594 1.00 0.00 C ATOM 1319 O PRO 1 85 0.387 7.735 -3.909 1.00 0.00 O ATOM 1320 CB PRO 1 85 3.113 6.087 -4.491 1.00 0.00 C ATOM 1321 CG PRO 1 85 3.201 5.483 -5.841 1.00 0.00 C ATOM 1322 CD PRO 1 85 2.555 4.143 -5.688 1.00 0.00 C ATOM 0 HA PRO 1 85 1.542 5.687 -2.998 1.00 0.00 H new ATOM 0 HB2 PRO 1 85 3.276 7.164 -4.515 1.00 0.00 H new ATOM 0 HB3 PRO 1 85 3.852 5.668 -3.808 1.00 0.00 H new ATOM 0 HG2 PRO 1 85 2.685 6.091 -6.584 1.00 0.00 H new ATOM 0 HG3 PRO 1 85 4.236 5.391 -6.169 1.00 0.00 H new ATOM 0 HD2 PRO 1 85 2.182 3.757 -6.637 1.00 0.00 H new ATOM 0 HD3 PRO 1 85 3.245 3.398 -5.290 1.00 0.00 H new ATOM 1330 N ASN 1 86 0.360 6.577 -5.822 1.00 0.00 N ATOM 1331 CA ASN 1 86 -0.550 7.477 -6.476 1.00 0.00 C ATOM 1332 C ASN 1 86 -1.953 7.269 -5.936 1.00 0.00 C ATOM 1333 O ASN 1 86 -2.754 8.202 -5.864 1.00 0.00 O ATOM 1334 CB ASN 1 86 -0.504 7.298 -7.989 1.00 0.00 C ATOM 1335 CG ASN 1 86 0.256 8.411 -8.686 1.00 0.00 C ATOM 1336 OD1 ASN 1 86 -0.266 9.068 -9.586 1.00 0.00 O ATOM 1337 ND2 ASN 1 86 1.499 8.626 -8.270 1.00 0.00 N ATOM 0 H ASN 1 86 0.661 5.789 -6.395 1.00 0.00 H new ATOM 0 HA ASN 1 86 -0.246 8.502 -6.264 1.00 0.00 H new ATOM 0 HB2 ASN 1 86 -0.037 6.342 -8.224 1.00 0.00 H new ATOM 0 HB3 ASN 1 86 -1.522 7.259 -8.378 1.00 0.00 H new ATOM 0 HD21 ASN 1 86 2.061 9.360 -8.700 1.00 0.00 H new ATOM 0 HD22 ASN 1 86 1.892 8.057 -7.520 1.00 0.00 H new ATOM 1344 N ASN 1 87 -2.216 6.051 -5.489 1.00 0.00 N ATOM 1345 CA ASN 1 87 -3.465 5.720 -4.871 1.00 0.00 C ATOM 1346 C ASN 1 87 -3.386 6.130 -3.432 1.00 0.00 C ATOM 1347 O ASN 1 87 -4.327 5.958 -2.669 1.00 0.00 O ATOM 1348 CB ASN 1 87 -3.622 4.248 -4.876 1.00 0.00 C ATOM 1349 CG ASN 1 87 -4.853 3.753 -5.581 1.00 0.00 C ATOM 1350 OD1 ASN 1 87 -5.763 4.513 -5.914 1.00 0.00 O ATOM 1351 ND2 ASN 1 87 -4.860 2.460 -5.812 1.00 0.00 N ATOM 0 H ASN 1 87 -1.561 5.272 -5.550 1.00 0.00 H new ATOM 0 HA ASN 1 87 -4.284 6.210 -5.397 1.00 0.00 H new ATOM 0 HB2 ASN 1 87 -2.746 3.804 -5.348 1.00 0.00 H new ATOM 0 HB3 ASN 1 87 -3.643 3.894 -3.845 1.00 0.00 H new ATOM 0 HD21 ASN 1 87 -5.651 2.032 -6.293 1.00 0.00 H new ATOM 0 HD22 ASN 1 87 -4.074 1.884 -5.510 1.00 0.00 H new ATOM 1358 N VAL 1 88 -2.209 6.613 -3.069 1.00 0.00 N ATOM 1359 CA VAL 1 88 -1.907 7.011 -1.773 1.00 0.00 C ATOM 1360 C VAL 1 88 -2.024 8.485 -1.614 1.00 0.00 C ATOM 1361 O VAL 1 88 -1.535 9.285 -2.411 1.00 0.00 O ATOM 1362 CB VAL 1 88 -0.497 6.619 -1.430 1.00 0.00 C ATOM 1363 CG1 VAL 1 88 -0.063 7.372 -0.199 1.00 0.00 C ATOM 1364 CG2 VAL 1 88 -0.446 5.138 -1.221 1.00 0.00 C ATOM 0 H VAL 1 88 -1.433 6.729 -3.720 1.00 0.00 H new ATOM 0 HA VAL 1 88 -2.619 6.519 -1.110 1.00 0.00 H new ATOM 0 HB VAL 1 88 0.187 6.874 -2.239 1.00 0.00 H new ATOM 0 HG11 VAL 1 88 0.959 7.093 0.057 1.00 0.00 H new ATOM 0 HG12 VAL 1 88 -0.109 8.444 -0.393 1.00 0.00 H new ATOM 0 HG13 VAL 1 88 -0.725 7.125 0.631 1.00 0.00 H new ATOM 0 HG21 VAL 1 88 0.573 4.841 -0.971 1.00 0.00 H new ATOM 0 HG22 VAL 1 88 -1.115 4.862 -0.406 1.00 0.00 H new ATOM 0 HG23 VAL 1 88 -0.759 4.631 -2.134 1.00 0.00 H new ATOM 1374 N LYS 1 89 -2.638 8.800 -0.541 1.00 0.00 N ATOM 1375 CA LYS 1 89 -2.824 10.155 -0.151 1.00 0.00 C ATOM 1376 C LYS 1 89 -1.591 10.595 0.578 1.00 0.00 C ATOM 1377 O LYS 1 89 -1.004 11.642 0.300 1.00 0.00 O ATOM 1378 CB LYS 1 89 -4.029 10.284 0.763 1.00 0.00 C ATOM 1379 CG LYS 1 89 -5.332 9.809 0.148 1.00 0.00 C ATOM 1380 CD LYS 1 89 -5.288 8.365 -0.276 1.00 0.00 C ATOM 1381 CE LYS 1 89 -4.961 8.174 -1.747 1.00 0.00 C ATOM 1382 NZ LYS 1 89 -4.961 9.445 -2.532 1.00 0.00 N ATOM 0 H LYS 1 89 -3.035 8.119 0.107 1.00 0.00 H new ATOM 0 HA LYS 1 89 -2.997 10.775 -1.031 1.00 0.00 H new ATOM 0 HB2 LYS 1 89 -3.842 9.715 1.674 1.00 0.00 H new ATOM 0 HB3 LYS 1 89 -4.138 11.328 1.056 1.00 0.00 H new ATOM 0 HG2 LYS 1 89 -6.139 9.947 0.868 1.00 0.00 H new ATOM 0 HG3 LYS 1 89 -5.567 10.429 -0.717 1.00 0.00 H new ATOM 0 HD2 LYS 1 89 -4.544 7.841 0.324 1.00 0.00 H new ATOM 0 HD3 LYS 1 89 -6.252 7.903 -0.063 1.00 0.00 H new ATOM 0 HE2 LYS 1 89 -3.982 7.703 -1.834 1.00 0.00 H new ATOM 0 HE3 LYS 1 89 -5.685 7.487 -2.185 1.00 0.00 H new ATOM 0 HZ1 LYS 1 89 -4.883 9.227 -3.546 1.00 0.00 H new ATOM 0 HZ2 LYS 1 89 -5.846 9.961 -2.356 1.00 0.00 H new ATOM 0 HZ3 LYS 1 89 -4.154 10.033 -2.241 1.00 0.00 H new ATOM 1396 N SER 1 90 -1.203 9.746 1.508 1.00 0.00 N ATOM 1397 CA SER 1 90 -0.006 9.990 2.324 1.00 0.00 C ATOM 1398 C SER 1 90 0.122 8.967 3.446 1.00 0.00 C ATOM 1399 O SER 1 90 -0.811 8.229 3.716 1.00 0.00 O ATOM 1400 CB SER 1 90 -0.034 11.403 2.915 1.00 0.00 C ATOM 1401 OG SER 1 90 -0.357 11.384 4.296 1.00 0.00 O ATOM 0 H SER 1 90 -1.692 8.878 1.726 1.00 0.00 H new ATOM 0 HA SER 1 90 0.860 9.892 1.669 1.00 0.00 H new ATOM 0 HB2 SER 1 90 0.938 11.876 2.774 1.00 0.00 H new ATOM 0 HB3 SER 1 90 -0.764 12.008 2.378 1.00 0.00 H new ATOM 0 HG SER 1 90 -0.365 12.301 4.643 1.00 0.00 H new ATOM 1407 N VAL 1 91 1.243 8.994 4.158 1.00 0.00 N ATOM 1408 CA VAL 1 91 1.426 8.137 5.314 1.00 0.00 C ATOM 1409 C VAL 1 91 0.917 8.886 6.549 1.00 0.00 C ATOM 1410 O VAL 1 91 0.711 10.098 6.488 1.00 0.00 O ATOM 1411 CB VAL 1 91 2.886 7.728 5.491 1.00 0.00 C ATOM 1412 CG1 VAL 1 91 3.063 6.840 6.713 1.00 0.00 C ATOM 1413 CG2 VAL 1 91 3.392 7.034 4.234 1.00 0.00 C ATOM 0 H VAL 1 91 2.036 9.601 3.952 1.00 0.00 H new ATOM 0 HA VAL 1 91 0.861 7.216 5.172 1.00 0.00 H new ATOM 0 HB VAL 1 91 3.478 8.629 5.652 1.00 0.00 H new ATOM 0 HG11 VAL 1 91 4.113 6.565 6.814 1.00 0.00 H new ATOM 0 HG12 VAL 1 91 2.742 7.379 7.604 1.00 0.00 H new ATOM 0 HG13 VAL 1 91 2.461 5.939 6.598 1.00 0.00 H new ATOM 0 HG21 VAL 1 91 4.434 6.747 4.372 1.00 0.00 H new ATOM 0 HG22 VAL 1 91 2.792 6.144 4.043 1.00 0.00 H new ATOM 0 HG23 VAL 1 91 3.312 7.714 3.386 1.00 0.00 H new ATOM 1423 N GLY 1 92 0.661 8.178 7.642 1.00 0.00 N ATOM 1424 CA GLY 1 92 0.127 8.806 8.818 1.00 0.00 C ATOM 1425 C GLY 1 92 0.888 8.461 10.072 1.00 0.00 C ATOM 1426 O GLY 1 92 1.860 7.707 10.054 1.00 0.00 O ATOM 0 H GLY 1 92 0.818 7.174 7.727 1.00 0.00 H new ATOM 0 HA2 GLY 1 92 0.136 9.887 8.681 1.00 0.00 H new ATOM 0 HA3 GLY 1 92 -0.915 8.509 8.939 1.00 0.00 H new ATOM 1430 N THR 1 93 0.418 9.031 11.154 1.00 0.00 N ATOM 1431 CA THR 1 93 0.992 8.834 12.473 1.00 0.00 C ATOM 1432 C THR 1 93 0.940 7.377 12.867 1.00 0.00 C ATOM 1433 O THR 1 93 -0.064 6.685 12.702 1.00 0.00 O ATOM 1434 CB THR 1 93 0.256 9.714 13.485 1.00 0.00 C ATOM 1435 OG1 THR 1 93 1.043 10.834 13.844 1.00 0.00 O ATOM 1436 CG2 THR 1 93 -0.112 8.989 14.751 1.00 0.00 C ATOM 0 H THR 1 93 -0.388 9.656 11.149 1.00 0.00 H new ATOM 0 HA THR 1 93 2.042 9.127 12.457 1.00 0.00 H new ATOM 0 HB THR 1 93 -0.661 10.021 12.983 1.00 0.00 H new ATOM 0 HG1 THR 1 93 0.553 11.384 14.490 1.00 0.00 H new ATOM 0 HG21 THR 1 93 -0.631 9.672 15.424 1.00 0.00 H new ATOM 0 HG22 THR 1 93 -0.764 8.149 14.513 1.00 0.00 H new ATOM 0 HG23 THR 1 93 0.792 8.620 15.235 1.00 0.00 H new ATOM 1444 N PRO 1 94 2.072 6.917 13.377 1.00 0.00 N ATOM 1445 CA PRO 1 94 2.278 5.545 13.812 1.00 0.00 C ATOM 1446 C PRO 1 94 1.734 5.261 15.203 1.00 0.00 C ATOM 1447 O PRO 1 94 1.556 6.163 16.020 1.00 0.00 O ATOM 1448 CB PRO 1 94 3.784 5.460 13.792 1.00 0.00 C ATOM 1449 CG PRO 1 94 4.185 6.792 14.285 1.00 0.00 C ATOM 1450 CD PRO 1 94 3.285 7.730 13.569 1.00 0.00 C ATOM 0 HA PRO 1 94 1.760 4.818 13.187 1.00 0.00 H new ATOM 0 HB2 PRO 1 94 4.154 4.661 14.435 1.00 0.00 H new ATOM 0 HB3 PRO 1 94 4.166 5.266 12.790 1.00 0.00 H new ATOM 0 HG2 PRO 1 94 4.064 6.870 15.365 1.00 0.00 H new ATOM 0 HG3 PRO 1 94 5.232 6.999 14.066 1.00 0.00 H new ATOM 0 HD2 PRO 1 94 3.084 8.628 14.154 1.00 0.00 H new ATOM 0 HD3 PRO 1 94 3.710 8.057 12.620 1.00 0.00 H new ATOM 1458 N MET 1 95 1.488 3.988 15.455 1.00 0.00 N ATOM 1459 CA MET 1 95 0.973 3.533 16.742 1.00 0.00 C ATOM 1460 C MET 1 95 1.456 2.121 17.055 1.00 0.00 C ATOM 1461 O MET 1 95 1.451 1.253 16.182 1.00 0.00 O ATOM 1462 CB MET 1 95 -0.555 3.580 16.754 1.00 0.00 C ATOM 1463 CG MET 1 95 -1.117 4.981 16.583 1.00 0.00 C ATOM 1464 SD MET 1 95 -2.855 5.096 17.049 1.00 0.00 S ATOM 1465 CE MET 1 95 -3.010 6.855 17.349 1.00 0.00 C ATOM 0 H MET 1 95 1.638 3.240 14.778 1.00 0.00 H new ATOM 0 HA MET 1 95 1.353 4.205 17.512 1.00 0.00 H new ATOM 0 HB2 MET 1 95 -0.937 2.943 15.956 1.00 0.00 H new ATOM 0 HB3 MET 1 95 -0.917 3.164 17.694 1.00 0.00 H new ATOM 0 HG2 MET 1 95 -0.536 5.677 17.188 1.00 0.00 H new ATOM 0 HG3 MET 1 95 -1.003 5.289 15.544 1.00 0.00 H new ATOM 0 HE1 MET 1 95 -4.033 7.084 17.647 1.00 0.00 H new ATOM 0 HE2 MET 1 95 -2.325 7.150 18.144 1.00 0.00 H new ATOM 0 HE3 MET 1 95 -2.766 7.402 16.438 1.00 0.00 H new ATOM 1475 N LYS 1 96 1.845 1.881 18.299 1.00 0.00 N ATOM 1476 CA LYS 1 96 2.303 0.554 18.704 1.00 0.00 C ATOM 1477 C LYS 1 96 1.121 -0.321 19.105 1.00 0.00 C ATOM 1478 O LYS 1 96 0.324 0.063 19.961 1.00 0.00 O ATOM 1479 CB LYS 1 96 3.295 0.658 19.865 1.00 0.00 C ATOM 1480 CG LYS 1 96 4.539 1.472 19.537 1.00 0.00 C ATOM 1481 CD LYS 1 96 4.795 2.560 20.571 1.00 0.00 C ATOM 1482 CE LYS 1 96 6.128 2.361 21.276 1.00 0.00 C ATOM 1483 NZ LYS 1 96 6.654 3.634 21.842 1.00 0.00 N ATOM 0 H LYS 1 96 1.854 2.580 19.042 1.00 0.00 H new ATOM 0 HA LYS 1 96 2.807 0.095 17.854 1.00 0.00 H new ATOM 0 HB2 LYS 1 96 2.793 1.108 20.721 1.00 0.00 H new ATOM 0 HB3 LYS 1 96 3.597 -0.346 20.164 1.00 0.00 H new ATOM 0 HG2 LYS 1 96 5.403 0.810 19.486 1.00 0.00 H new ATOM 0 HG3 LYS 1 96 4.426 1.926 18.553 1.00 0.00 H new ATOM 0 HD2 LYS 1 96 4.782 3.535 20.084 1.00 0.00 H new ATOM 0 HD3 LYS 1 96 3.990 2.560 21.306 1.00 0.00 H new ATOM 0 HE2 LYS 1 96 6.010 1.630 22.076 1.00 0.00 H new ATOM 0 HE3 LYS 1 96 6.852 1.950 20.573 1.00 0.00 H new ATOM 0 HZ1 LYS 1 96 7.563 3.455 22.314 1.00 0.00 H new ATOM 0 HZ2 LYS 1 96 6.791 4.324 21.076 1.00 0.00 H new ATOM 0 HZ3 LYS 1 96 5.975 4.014 22.532 1.00 0.00 H new ATOM 1497 N GLY 1 97 1.000 -1.496 18.485 1.00 0.00 N ATOM 1498 CA GLY 1 97 -0.106 -2.373 18.819 1.00 0.00 C ATOM 1499 C GLY 1 97 -0.024 -3.735 18.165 1.00 0.00 C ATOM 1500 O GLY 1 97 -0.110 -4.756 18.846 1.00 0.00 O ATOM 0 H GLY 1 97 1.637 -1.849 17.771 1.00 0.00 H new ATOM 0 HA2 GLY 1 97 -0.142 -2.501 19.901 1.00 0.00 H new ATOM 0 HA3 GLY 1 97 -1.039 -1.894 18.524 1.00 0.00 H new ATOM 1504 N SER 1 98 0.128 -3.758 16.845 1.00 0.00 N ATOM 1505 CA SER 1 98 0.211 -5.019 16.120 1.00 0.00 C ATOM 1506 C SER 1 98 1.487 -5.773 16.505 1.00 0.00 C ATOM 1507 O SER 1 98 2.406 -5.910 15.702 1.00 0.00 O ATOM 1508 CB SER 1 98 0.180 -4.761 14.610 1.00 0.00 C ATOM 1509 OG SER 1 98 -1.143 -4.835 14.106 1.00 0.00 O ATOM 0 H SER 1 98 0.196 -2.925 16.260 1.00 0.00 H new ATOM 0 HA SER 1 98 -0.648 -5.634 16.389 1.00 0.00 H new ATOM 0 HB2 SER 1 98 0.599 -3.777 14.397 1.00 0.00 H new ATOM 0 HB3 SER 1 98 0.808 -5.492 14.100 1.00 0.00 H new ATOM 0 HG SER 1 98 -1.416 -5.774 14.039 1.00 0.00 H new ATOM 1515 N GLY 1 99 1.532 -6.260 17.741 1.00 0.00 N ATOM 1516 CA GLY 1 99 2.695 -6.994 18.213 1.00 0.00 C ATOM 1517 C GLY 1 99 3.533 -6.211 19.213 1.00 0.00 C ATOM 1518 O GLY 1 99 3.881 -6.727 20.276 1.00 0.00 O ATOM 0 H GLY 1 99 0.783 -6.160 18.426 1.00 0.00 H new ATOM 0 HA2 GLY 1 99 2.366 -7.925 18.675 1.00 0.00 H new ATOM 0 HA3 GLY 1 99 3.317 -7.264 17.360 1.00 0.00 H new ATOM 1522 N GLY 1 100 3.865 -4.966 18.876 1.00 0.00 N ATOM 1523 CA GLY 1 100 4.667 -4.147 19.760 1.00 0.00 C ATOM 1524 C GLY 1 100 5.437 -3.055 19.031 1.00 0.00 C ATOM 1525 O GLY 1 100 5.953 -2.127 19.655 1.00 0.00 O ATOM 0 H GLY 1 100 3.591 -4.513 18.004 1.00 0.00 H new ATOM 0 HA2 GLY 1 100 4.019 -3.689 20.508 1.00 0.00 H new ATOM 0 HA3 GLY 1 100 5.371 -4.784 20.295 1.00 0.00 H new ATOM 1529 N LEU 1 101 5.518 -3.174 17.712 1.00 0.00 N ATOM 1530 CA LEU 1 101 6.213 -2.237 16.876 1.00 0.00 C ATOM 1531 C LEU 1 101 5.424 -0.972 16.665 1.00 0.00 C ATOM 1532 O LEU 1 101 4.602 -0.579 17.484 1.00 0.00 O ATOM 1533 CB LEU 1 101 6.433 -2.862 15.528 1.00 0.00 C ATOM 1534 CG LEU 1 101 6.635 -4.363 15.484 1.00 0.00 C ATOM 1535 CD1 LEU 1 101 5.325 -5.123 15.425 1.00 0.00 C ATOM 1536 CD2 LEU 1 101 7.401 -4.649 14.256 1.00 0.00 C ATOM 0 H LEU 1 101 5.091 -3.943 17.196 1.00 0.00 H new ATOM 0 HA LEU 1 101 7.151 -1.988 17.372 1.00 0.00 H new ATOM 0 HB2 LEU 1 101 5.577 -2.618 14.899 1.00 0.00 H new ATOM 0 HB3 LEU 1 101 7.305 -2.391 15.076 1.00 0.00 H new ATOM 0 HG LEU 1 101 7.150 -4.681 16.391 1.00 0.00 H new ATOM 0 HD11 LEU 1 101 5.527 -6.194 15.395 1.00 0.00 H new ATOM 0 HD12 LEU 1 101 4.729 -4.890 16.308 1.00 0.00 H new ATOM 0 HD13 LEU 1 101 4.776 -4.832 14.530 1.00 0.00 H new ATOM 0 HD21 LEU 1 101 7.574 -5.722 14.177 1.00 0.00 H new ATOM 0 HD22 LEU 1 101 6.838 -4.307 13.388 1.00 0.00 H new ATOM 0 HD23 LEU 1 101 8.358 -4.129 14.295 1.00 0.00 H new ATOM 1548 N SER 1 102 5.704 -0.356 15.536 1.00 0.00 N ATOM 1549 CA SER 1 102 5.058 0.853 15.116 1.00 0.00 C ATOM 1550 C SER 1 102 4.287 0.610 13.833 1.00 0.00 C ATOM 1551 O SER 1 102 4.865 0.278 12.804 1.00 0.00 O ATOM 1552 CB SER 1 102 6.087 1.933 14.926 1.00 0.00 C ATOM 1553 OG SER 1 102 6.242 2.709 16.101 1.00 0.00 O ATOM 0 H SER 1 102 6.403 -0.695 14.876 1.00 0.00 H new ATOM 0 HA SER 1 102 4.352 1.175 15.882 1.00 0.00 H new ATOM 0 HB2 SER 1 102 7.043 1.484 14.655 1.00 0.00 H new ATOM 0 HB3 SER 1 102 5.792 2.578 14.098 1.00 0.00 H new ATOM 0 HG SER 1 102 6.918 3.402 15.949 1.00 0.00 H new ATOM 1559 N TRP 1 103 2.988 0.767 13.916 1.00 0.00 N ATOM 1560 CA TRP 1 103 2.092 0.572 12.809 1.00 0.00 C ATOM 1561 C TRP 1 103 1.402 1.897 12.552 1.00 0.00 C ATOM 1562 O TRP 1 103 0.744 2.452 13.429 1.00 0.00 O ATOM 1563 CB TRP 1 103 1.134 -0.539 13.168 1.00 0.00 C ATOM 1564 CG TRP 1 103 1.896 -1.786 13.514 1.00 0.00 C ATOM 1565 CD1 TRP 1 103 2.880 -1.864 14.444 1.00 0.00 C ATOM 1566 CD2 TRP 1 103 1.801 -3.105 12.932 1.00 0.00 C ATOM 1567 NE1 TRP 1 103 3.432 -3.100 14.447 1.00 0.00 N ATOM 1568 CE2 TRP 1 103 2.784 -3.893 13.551 1.00 0.00 C ATOM 1569 CE3 TRP 1 103 1.001 -3.704 11.960 1.00 0.00 C ATOM 1570 CZ2 TRP 1 103 2.990 -5.233 13.226 1.00 0.00 C ATOM 1571 CZ3 TRP 1 103 1.206 -5.035 11.645 1.00 0.00 C ATOM 1572 CH2 TRP 1 103 2.195 -5.781 12.276 1.00 0.00 C ATOM 0 H TRP 1 103 2.516 1.041 14.778 1.00 0.00 H new ATOM 0 HA TRP 1 103 2.601 0.272 11.893 1.00 0.00 H new ATOM 0 HB2 TRP 1 103 0.514 -0.236 14.012 1.00 0.00 H new ATOM 0 HB3 TRP 1 103 0.462 -0.734 12.332 1.00 0.00 H new ATOM 0 HD1 TRP 1 103 3.181 -1.054 15.091 1.00 0.00 H new ATOM 0 HE1 TRP 1 103 4.215 -3.392 15.032 1.00 0.00 H new ATOM 0 HE3 TRP 1 103 0.231 -3.136 11.459 1.00 0.00 H new ATOM 0 HZ2 TRP 1 103 3.757 -5.814 13.715 1.00 0.00 H new ATOM 0 HZ3 TRP 1 103 0.586 -5.504 10.895 1.00 0.00 H new ATOM 0 HH2 TRP 1 103 2.332 -6.817 12.004 1.00 0.00 H new ATOM 1583 N ALA 1 104 1.635 2.432 11.377 1.00 0.00 N ATOM 1584 CA ALA 1 104 1.127 3.749 11.017 1.00 0.00 C ATOM 1585 C ALA 1 104 -0.042 3.744 10.074 1.00 0.00 C ATOM 1586 O ALA 1 104 -0.205 2.857 9.240 1.00 0.00 O ATOM 1587 CB ALA 1 104 2.236 4.621 10.455 1.00 0.00 C ATOM 0 H ALA 1 104 2.177 1.976 10.643 1.00 0.00 H new ATOM 0 HA ALA 1 104 0.752 4.164 11.953 1.00 0.00 H new ATOM 0 HB1 ALA 1 104 1.833 5.599 10.193 1.00 0.00 H new ATOM 0 HB2 ALA 1 104 3.020 4.740 11.203 1.00 0.00 H new ATOM 0 HB3 ALA 1 104 2.653 4.151 9.564 1.00 0.00 H new ATOM 1593 N GLN 1 105 -0.846 4.782 10.244 1.00 0.00 N ATOM 1594 CA GLN 1 105 -2.022 4.997 9.462 1.00 0.00 C ATOM 1595 C GLN 1 105 -1.703 5.654 8.134 1.00 0.00 C ATOM 1596 O GLN 1 105 -1.517 6.858 8.089 1.00 0.00 O ATOM 1597 CB GLN 1 105 -2.957 5.912 10.226 1.00 0.00 C ATOM 1598 CG GLN 1 105 -4.390 5.673 9.872 1.00 0.00 C ATOM 1599 CD GLN 1 105 -5.366 6.340 10.820 1.00 0.00 C ATOM 1600 OE1 GLN 1 105 -4.991 7.219 11.596 1.00 0.00 O ATOM 1601 NE2 GLN 1 105 -6.628 5.929 10.761 1.00 0.00 N ATOM 0 H GLN 1 105 -0.684 5.504 10.946 1.00 0.00 H new ATOM 0 HA GLN 1 105 -2.478 4.026 9.270 1.00 0.00 H new ATOM 0 HB2 GLN 1 105 -2.818 5.760 11.296 1.00 0.00 H new ATOM 0 HB3 GLN 1 105 -2.700 6.950 10.015 1.00 0.00 H new ATOM 0 HG2 GLN 1 105 -4.572 6.037 8.861 1.00 0.00 H new ATOM 0 HG3 GLN 1 105 -4.580 4.600 9.864 1.00 0.00 H new ATOM 0 HE21 GLN 1 105 -6.896 5.197 10.103 1.00 0.00 H new ATOM 0 HE22 GLN 1 105 -7.329 6.345 11.374 1.00 0.00 H new ATOM 1610 N VAL 1 106 -1.679 4.902 7.047 1.00 0.00 N ATOM 1611 CA VAL 1 106 -1.412 5.489 5.770 1.00 0.00 C ATOM 1612 C VAL 1 106 -2.734 5.716 5.053 1.00 0.00 C ATOM 1613 O VAL 1 106 -3.625 4.871 5.084 1.00 0.00 O ATOM 1614 CB VAL 1 106 -0.441 4.615 4.963 1.00 0.00 C ATOM 1615 CG1 VAL 1 106 -0.341 5.103 3.542 1.00 0.00 C ATOM 1616 CG2 VAL 1 106 0.933 4.623 5.616 1.00 0.00 C ATOM 0 H VAL 1 106 -1.841 3.895 7.034 1.00 0.00 H new ATOM 0 HA VAL 1 106 -0.920 6.454 5.891 1.00 0.00 H new ATOM 0 HB VAL 1 106 -0.824 3.595 4.950 1.00 0.00 H new ATOM 0 HG11 VAL 1 106 0.352 4.470 2.988 1.00 0.00 H new ATOM 0 HG12 VAL 1 106 -1.324 5.062 3.073 1.00 0.00 H new ATOM 0 HG13 VAL 1 106 0.022 6.131 3.535 1.00 0.00 H new ATOM 0 HG21 VAL 1 106 1.615 4.000 5.037 1.00 0.00 H new ATOM 0 HG22 VAL 1 106 1.314 5.644 5.650 1.00 0.00 H new ATOM 0 HG23 VAL 1 106 0.856 4.230 6.630 1.00 0.00 H new ATOM 1626 N ASN 1 107 -2.867 6.878 4.455 1.00 0.00 N ATOM 1627 CA ASN 1 107 -4.083 7.262 3.778 1.00 0.00 C ATOM 1628 C ASN 1 107 -4.067 6.832 2.333 1.00 0.00 C ATOM 1629 O ASN 1 107 -3.435 7.476 1.500 1.00 0.00 O ATOM 1630 CB ASN 1 107 -4.257 8.787 3.835 1.00 0.00 C ATOM 1631 CG ASN 1 107 -5.347 9.263 4.791 1.00 0.00 C ATOM 1632 OD1 ASN 1 107 -6.046 8.342 5.453 1.00 0.00 O flip ATOM 1633 ND2 ASN 1 107 -5.561 10.468 4.932 1.00 0.00 N flip ATOM 0 H ASN 1 107 -2.132 7.585 4.425 1.00 0.00 H new ATOM 0 HA ASN 1 107 -4.912 6.767 4.285 1.00 0.00 H new ATOM 0 HB2 ASN 1 107 -3.310 9.238 4.131 1.00 0.00 H new ATOM 0 HB3 ASN 1 107 -4.485 9.152 2.833 1.00 0.00 H new ATOM 0 HD21 ASN 1 107 -5.008 11.149 4.411 1.00 0.00 H new ATOM 0 HD22 ASN 1 107 -6.291 10.785 5.570 1.00 0.00 H new ATOM 1640 N PHE 1 108 -4.780 5.760 2.034 1.00 0.00 N ATOM 1641 CA PHE 1 108 -4.880 5.276 0.711 1.00 0.00 C ATOM 1642 C PHE 1 108 -6.214 5.648 0.079 1.00 0.00 C ATOM 1643 O PHE 1 108 -7.155 6.116 0.724 1.00 0.00 O ATOM 1644 CB PHE 1 108 -4.799 3.761 0.631 1.00 0.00 C ATOM 1645 CG PHE 1 108 -3.548 3.088 1.120 1.00 0.00 C ATOM 1646 CD1 PHE 1 108 -3.072 3.306 2.395 1.00 0.00 C ATOM 1647 CD2 PHE 1 108 -2.882 2.178 0.310 1.00 0.00 C ATOM 1648 CE1 PHE 1 108 -1.950 2.639 2.852 1.00 0.00 C ATOM 1649 CE2 PHE 1 108 -1.768 1.506 0.769 1.00 0.00 C ATOM 1650 CZ PHE 1 108 -1.301 1.738 2.041 1.00 0.00 C ATOM 0 H PHE 1 108 -5.300 5.214 2.721 1.00 0.00 H new ATOM 0 HA PHE 1 108 -4.041 5.734 0.188 1.00 0.00 H new ATOM 0 HB2 PHE 1 108 -5.638 3.353 1.195 1.00 0.00 H new ATOM 0 HB3 PHE 1 108 -4.945 3.475 -0.411 1.00 0.00 H new ATOM 0 HD1 PHE 1 108 -3.580 4.004 3.043 1.00 0.00 H new ATOM 0 HD2 PHE 1 108 -3.241 1.994 -0.692 1.00 0.00 H new ATOM 0 HE1 PHE 1 108 -1.582 2.827 3.850 1.00 0.00 H new ATOM 0 HE2 PHE 1 108 -1.263 0.798 0.129 1.00 0.00 H new ATOM 0 HZ PHE 1 108 -0.428 1.215 2.402 1.00 0.00 H new ATOM 1660 N THR 1 109 -6.235 5.410 -1.207 1.00 0.00 N ATOM 1661 CA THR 1 109 -7.365 5.676 -2.099 1.00 0.00 C ATOM 1662 C THR 1 109 -8.731 5.121 -1.674 1.00 0.00 C ATOM 1663 O THR 1 109 -9.669 5.879 -1.427 1.00 0.00 O ATOM 1664 CB THR 1 109 -7.005 5.064 -3.433 1.00 0.00 C ATOM 1665 OG1 THR 1 109 -8.102 5.085 -4.333 1.00 0.00 O ATOM 1666 CG2 THR 1 109 -6.560 3.645 -3.255 1.00 0.00 C ATOM 0 H THR 1 109 -5.435 5.007 -1.696 1.00 0.00 H new ATOM 0 HA THR 1 109 -7.502 6.757 -2.103 1.00 0.00 H new ATOM 0 HB THR 1 109 -6.195 5.663 -3.850 1.00 0.00 H new ATOM 0 HG1 THR 1 109 -7.785 4.888 -5.239 1.00 0.00 H new ATOM 0 HG21 THR 1 109 -6.305 3.219 -4.225 1.00 0.00 H new ATOM 0 HG22 THR 1 109 -5.686 3.617 -2.605 1.00 0.00 H new ATOM 0 HG23 THR 1 109 -7.366 3.065 -2.805 1.00 0.00 H new ATOM 1674 N THR 1 110 -8.846 3.802 -1.652 1.00 0.00 N ATOM 1675 CA THR 1 110 -10.103 3.130 -1.332 1.00 0.00 C ATOM 1676 C THR 1 110 -10.305 2.923 0.155 1.00 0.00 C ATOM 1677 O THR 1 110 -11.314 3.341 0.724 1.00 0.00 O ATOM 1678 CB THR 1 110 -10.158 1.789 -2.042 1.00 0.00 C ATOM 1679 OG1 THR 1 110 -9.342 1.797 -3.201 1.00 0.00 O ATOM 1680 CG2 THR 1 110 -11.554 1.389 -2.461 1.00 0.00 C ATOM 0 H THR 1 110 -8.075 3.166 -1.854 1.00 0.00 H new ATOM 0 HA THR 1 110 -10.907 3.781 -1.675 1.00 0.00 H new ATOM 0 HB THR 1 110 -9.796 1.064 -1.313 1.00 0.00 H new ATOM 0 HG1 THR 1 110 -9.385 0.921 -3.637 1.00 0.00 H new ATOM 0 HG21 THR 1 110 -11.520 0.422 -2.962 1.00 0.00 H new ATOM 0 HG22 THR 1 110 -12.192 1.319 -1.580 1.00 0.00 H new ATOM 0 HG23 THR 1 110 -11.958 2.137 -3.143 1.00 0.00 H new ATOM 1688 N GLY 1 111 -9.347 2.263 0.775 1.00 0.00 N ATOM 1689 CA GLY 1 111 -9.436 1.989 2.179 1.00 0.00 C ATOM 1690 C GLY 1 111 -9.264 3.227 3.023 1.00 0.00 C ATOM 1691 O GLY 1 111 -9.423 3.170 4.242 1.00 0.00 O ATOM 0 H GLY 1 111 -8.503 1.911 0.322 1.00 0.00 H new ATOM 0 HA2 GLY 1 111 -10.404 1.537 2.397 1.00 0.00 H new ATOM 0 HA3 GLY 1 111 -8.674 1.259 2.452 1.00 0.00 H new ATOM 1695 N GLY 1 112 -8.913 4.352 2.392 1.00 0.00 N ATOM 1696 CA GLY 1 112 -8.706 5.555 3.140 1.00 0.00 C ATOM 1697 C GLY 1 112 -7.624 5.331 4.154 1.00 0.00 C ATOM 1698 O GLY 1 112 -6.455 5.456 3.855 1.00 0.00 O ATOM 0 H GLY 1 112 -8.773 4.436 1.385 1.00 0.00 H new ATOM 0 HA2 GLY 1 112 -8.429 6.369 2.471 1.00 0.00 H new ATOM 0 HA3 GLY 1 112 -9.630 5.851 3.637 1.00 0.00 H new ATOM 1702 N ASN 1 113 -7.995 4.930 5.341 1.00 0.00 N ATOM 1703 CA ASN 1 113 -7.010 4.625 6.336 1.00 0.00 C ATOM 1704 C ASN 1 113 -6.532 3.193 6.140 1.00 0.00 C ATOM 1705 O ASN 1 113 -7.335 2.270 6.008 1.00 0.00 O ATOM 1706 CB ASN 1 113 -7.579 4.827 7.735 1.00 0.00 C ATOM 1707 CG ASN 1 113 -9.011 4.352 7.858 1.00 0.00 C ATOM 1708 OD1 ASN 1 113 -9.894 5.096 8.286 1.00 0.00 O ATOM 1709 ND2 ASN 1 113 -9.242 3.104 7.480 1.00 0.00 N ATOM 0 H ASN 1 113 -8.963 4.809 5.638 1.00 0.00 H new ATOM 0 HA ASN 1 113 -6.162 5.301 6.228 1.00 0.00 H new ATOM 0 HB2 ASN 1 113 -6.960 4.292 8.455 1.00 0.00 H new ATOM 0 HB3 ASN 1 113 -7.528 5.884 7.994 1.00 0.00 H new ATOM 0 HD21 ASN 1 113 -10.185 2.720 7.537 1.00 0.00 H new ATOM 0 HD22 ASN 1 113 -8.477 2.527 7.132 1.00 0.00 H new ATOM 1716 N VAL 1 114 -5.230 3.018 6.124 1.00 0.00 N ATOM 1717 CA VAL 1 114 -4.627 1.714 5.956 1.00 0.00 C ATOM 1718 C VAL 1 114 -3.373 1.679 6.776 1.00 0.00 C ATOM 1719 O VAL 1 114 -2.431 2.417 6.503 1.00 0.00 O ATOM 1720 CB VAL 1 114 -4.266 1.427 4.504 1.00 0.00 C ATOM 1721 CG1 VAL 1 114 -3.947 -0.038 4.322 1.00 0.00 C ATOM 1722 CG2 VAL 1 114 -5.379 1.864 3.566 1.00 0.00 C ATOM 0 H VAL 1 114 -4.557 3.778 6.227 1.00 0.00 H new ATOM 0 HA VAL 1 114 -5.346 0.959 6.273 1.00 0.00 H new ATOM 0 HB VAL 1 114 -3.378 2.006 4.252 1.00 0.00 H new ATOM 0 HG11 VAL 1 114 -3.691 -0.228 3.280 1.00 0.00 H new ATOM 0 HG12 VAL 1 114 -3.104 -0.309 4.958 1.00 0.00 H new ATOM 0 HG13 VAL 1 114 -4.816 -0.636 4.597 1.00 0.00 H new ATOM 0 HG21 VAL 1 114 -5.094 1.647 2.537 1.00 0.00 H new ATOM 0 HG22 VAL 1 114 -6.294 1.324 3.810 1.00 0.00 H new ATOM 0 HG23 VAL 1 114 -5.549 2.935 3.677 1.00 0.00 H new ATOM 1732 N TRP 1 115 -3.363 0.864 7.793 1.00 0.00 N ATOM 1733 CA TRP 1 115 -2.212 0.813 8.660 1.00 0.00 C ATOM 1734 C TRP 1 115 -1.178 -0.185 8.211 1.00 0.00 C ATOM 1735 O TRP 1 115 -1.475 -1.170 7.537 1.00 0.00 O ATOM 1736 CB TRP 1 115 -2.638 0.538 10.075 1.00 0.00 C ATOM 1737 CG TRP 1 115 -3.433 1.626 10.622 1.00 0.00 C ATOM 1738 CD1 TRP 1 115 -4.703 1.941 10.287 1.00 0.00 C ATOM 1739 CD2 TRP 1 115 -3.005 2.575 11.574 1.00 0.00 C ATOM 1740 NE1 TRP 1 115 -5.110 2.997 11.018 1.00 0.00 N ATOM 1741 CE2 TRP 1 115 -4.081 3.417 11.804 1.00 0.00 C ATOM 1742 CE3 TRP 1 115 -1.816 2.782 12.263 1.00 0.00 C ATOM 1743 CZ2 TRP 1 115 -4.023 4.458 12.685 1.00 0.00 C ATOM 1744 CZ3 TRP 1 115 -1.749 3.834 13.155 1.00 0.00 C ATOM 1745 CH2 TRP 1 115 -2.854 4.667 13.358 1.00 0.00 C ATOM 0 H TRP 1 115 -4.125 0.233 8.043 1.00 0.00 H new ATOM 0 HA TRP 1 115 -1.735 1.792 8.609 1.00 0.00 H new ATOM 0 HB2 TRP 1 115 -3.216 -0.386 10.107 1.00 0.00 H new ATOM 0 HB3 TRP 1 115 -1.756 0.384 10.697 1.00 0.00 H new ATOM 0 HD1 TRP 1 115 -5.299 1.426 9.548 1.00 0.00 H new ATOM 0 HE1 TRP 1 115 -6.040 3.415 10.987 1.00 0.00 H new ATOM 0 HE3 TRP 1 115 -0.965 2.136 12.105 1.00 0.00 H new ATOM 0 HZ2 TRP 1 115 -4.878 5.098 12.845 1.00 0.00 H new ATOM 0 HZ3 TRP 1 115 -0.835 4.015 13.701 1.00 0.00 H new ATOM 0 HH2 TRP 1 115 -2.781 5.487 14.057 1.00 0.00 H new ATOM 1756 N LEU 1 116 0.048 0.102 8.594 1.00 0.00 N ATOM 1757 CA LEU 1 116 1.168 -0.726 8.255 1.00 0.00 C ATOM 1758 C LEU 1 116 2.233 -0.554 9.291 1.00 0.00 C ATOM 1759 O LEU 1 116 2.433 0.553 9.778 1.00 0.00 O ATOM 1760 CB LEU 1 116 1.731 -0.299 6.911 1.00 0.00 C ATOM 1761 CG LEU 1 116 2.136 -1.443 5.989 1.00 0.00 C ATOM 1762 CD1 LEU 1 116 0.962 -1.850 5.116 1.00 0.00 C ATOM 1763 CD2 LEU 1 116 3.327 -1.037 5.142 1.00 0.00 C ATOM 0 H LEU 1 116 0.289 0.922 9.151 1.00 0.00 H new ATOM 0 HA LEU 1 116 0.846 -1.766 8.208 1.00 0.00 H new ATOM 0 HB2 LEU 1 116 0.987 0.313 6.401 1.00 0.00 H new ATOM 0 HB3 LEU 1 116 2.601 0.334 7.083 1.00 0.00 H new ATOM 0 HG LEU 1 116 2.426 -2.302 6.594 1.00 0.00 H new ATOM 0 HD11 LEU 1 116 1.262 -2.668 4.461 1.00 0.00 H new ATOM 0 HD12 LEU 1 116 0.135 -2.175 5.747 1.00 0.00 H new ATOM 0 HD13 LEU 1 116 0.645 -0.999 4.512 1.00 0.00 H new ATOM 0 HD21 LEU 1 116 3.607 -1.863 4.488 1.00 0.00 H new ATOM 0 HD22 LEU 1 116 3.065 -0.168 4.538 1.00 0.00 H new ATOM 0 HD23 LEU 1 116 4.167 -0.788 5.791 1.00 0.00 H new ATOM 1775 N ASN 1 117 2.959 -1.604 9.605 1.00 0.00 N ATOM 1776 CA ASN 1 117 4.011 -1.431 10.570 1.00 0.00 C ATOM 1777 C ASN 1 117 5.014 -0.519 9.963 1.00 0.00 C ATOM 1778 O ASN 1 117 5.798 -0.836 9.069 1.00 0.00 O ATOM 1779 CB ASN 1 117 4.573 -2.707 11.083 1.00 0.00 C ATOM 1780 CG ASN 1 117 6.063 -2.697 11.361 1.00 0.00 C ATOM 1781 OD1 ASN 1 117 6.881 -2.871 10.459 1.00 0.00 O ATOM 1782 ND2 ASN 1 117 6.413 -2.519 12.633 1.00 0.00 N ATOM 0 H ASN 1 117 2.847 -2.544 9.225 1.00 0.00 H new ATOM 0 HA ASN 1 117 3.613 -0.979 11.479 1.00 0.00 H new ATOM 0 HB2 ASN 1 117 4.051 -2.970 12.003 1.00 0.00 H new ATOM 0 HB3 ASN 1 117 4.361 -3.494 10.360 1.00 0.00 H new ATOM 0 HD21 ASN 1 117 7.398 -2.523 12.896 1.00 0.00 H new ATOM 0 HD22 ASN 1 117 5.696 -2.379 13.344 1.00 0.00 H new ATOM 1789 N THR 1 118 4.825 0.653 10.444 1.00 0.00 N ATOM 1790 CA THR 1 118 5.514 1.845 10.032 1.00 0.00 C ATOM 1791 C THR 1 118 6.920 1.937 10.558 1.00 0.00 C ATOM 1792 O THR 1 118 7.535 3.004 10.509 1.00 0.00 O ATOM 1793 CB THR 1 118 4.689 3.017 10.498 1.00 0.00 C ATOM 1794 OG1 THR 1 118 4.998 4.194 9.772 1.00 0.00 O ATOM 1795 CG2 THR 1 118 4.862 3.304 11.968 1.00 0.00 C ATOM 0 H THR 1 118 4.145 0.830 11.183 1.00 0.00 H new ATOM 0 HA THR 1 118 5.620 1.834 8.947 1.00 0.00 H new ATOM 0 HB THR 1 118 3.653 2.731 10.317 1.00 0.00 H new ATOM 0 HG1 THR 1 118 5.970 4.279 9.685 1.00 0.00 H new ATOM 0 HG21 THR 1 118 4.244 4.158 12.247 1.00 0.00 H new ATOM 0 HG22 THR 1 118 4.559 2.432 12.547 1.00 0.00 H new ATOM 0 HG23 THR 1 118 5.908 3.530 12.174 1.00 0.00 H new ATOM 1803 N THR 1 119 7.436 0.835 11.050 1.00 0.00 N ATOM 1804 CA THR 1 119 8.802 0.834 11.556 1.00 0.00 C ATOM 1805 C THR 1 119 9.814 1.130 10.424 1.00 0.00 C ATOM 1806 O THR 1 119 10.993 0.792 10.539 1.00 0.00 O ATOM 1807 CB THR 1 119 9.133 -0.510 12.204 1.00 0.00 C ATOM 1808 OG1 THR 1 119 10.380 -0.448 12.874 1.00 0.00 O ATOM 1809 CG2 THR 1 119 9.202 -1.651 11.211 1.00 0.00 C ATOM 0 H THR 1 119 6.948 -0.059 11.114 1.00 0.00 H new ATOM 0 HA THR 1 119 8.879 1.621 12.306 1.00 0.00 H new ATOM 0 HB THR 1 119 8.318 -0.705 12.901 1.00 0.00 H new ATOM 0 HG1 THR 1 119 11.040 -0.012 12.296 1.00 0.00 H new ATOM 0 HG21 THR 1 119 9.441 -2.576 11.736 1.00 0.00 H new ATOM 0 HG22 THR 1 119 8.240 -1.756 10.710 1.00 0.00 H new ATOM 0 HG23 THR 1 119 9.975 -1.443 10.471 1.00 0.00 H new ATOM 1817 N SER 1 120 9.351 1.784 9.339 1.00 0.00 N ATOM 1818 CA SER 1 120 10.179 2.148 8.221 1.00 0.00 C ATOM 1819 C SER 1 120 9.323 2.968 7.266 1.00 0.00 C ATOM 1820 O SER 1 120 8.273 2.526 6.831 1.00 0.00 O ATOM 1821 CB SER 1 120 10.737 0.907 7.520 1.00 0.00 C ATOM 1822 OG SER 1 120 10.140 -0.276 8.023 1.00 0.00 O ATOM 0 H SER 1 120 8.377 2.068 9.234 1.00 0.00 H new ATOM 0 HA SER 1 120 11.036 2.730 8.562 1.00 0.00 H new ATOM 0 HB2 SER 1 120 10.558 0.980 6.447 1.00 0.00 H new ATOM 0 HB3 SER 1 120 11.817 0.861 7.661 1.00 0.00 H new ATOM 0 HG SER 1 120 10.840 -0.916 8.270 1.00 0.00 H new ATOM 1828 N LYS 1 121 9.753 4.170 6.963 1.00 0.00 N ATOM 1829 CA LYS 1 121 9.002 5.036 6.074 1.00 0.00 C ATOM 1830 C LYS 1 121 9.124 4.503 4.660 1.00 0.00 C ATOM 1831 O LYS 1 121 8.147 4.421 3.905 1.00 0.00 O ATOM 1832 CB LYS 1 121 9.523 6.450 6.205 1.00 0.00 C ATOM 1833 CG LYS 1 121 8.783 7.464 5.349 1.00 0.00 C ATOM 1834 CD LYS 1 121 8.932 8.874 5.898 1.00 0.00 C ATOM 1835 CE LYS 1 121 9.293 9.866 4.804 1.00 0.00 C ATOM 1836 NZ LYS 1 121 9.345 11.261 5.318 1.00 0.00 N ATOM 0 H LYS 1 121 10.620 4.574 7.318 1.00 0.00 H new ATOM 0 HA LYS 1 121 7.944 5.051 6.336 1.00 0.00 H new ATOM 0 HB2 LYS 1 121 9.457 6.755 7.249 1.00 0.00 H new ATOM 0 HB3 LYS 1 121 10.579 6.464 5.935 1.00 0.00 H new ATOM 0 HG2 LYS 1 121 9.165 7.428 4.329 1.00 0.00 H new ATOM 0 HG3 LYS 1 121 7.726 7.200 5.303 1.00 0.00 H new ATOM 0 HD2 LYS 1 121 8.000 9.180 6.374 1.00 0.00 H new ATOM 0 HD3 LYS 1 121 9.703 8.885 6.669 1.00 0.00 H new ATOM 0 HE2 LYS 1 121 10.260 9.600 4.377 1.00 0.00 H new ATOM 0 HE3 LYS 1 121 8.560 9.802 3.999 1.00 0.00 H new ATOM 0 HZ1 LYS 1 121 9.594 11.908 4.543 1.00 0.00 H new ATOM 0 HZ2 LYS 1 121 8.415 11.524 5.703 1.00 0.00 H new ATOM 0 HZ3 LYS 1 121 10.062 11.328 6.068 1.00 0.00 H new ATOM 1850 N ASP 1 122 10.318 4.040 4.331 1.00 0.00 N ATOM 1851 CA ASP 1 122 10.541 3.407 3.070 1.00 0.00 C ATOM 1852 C ASP 1 122 9.754 2.105 3.054 1.00 0.00 C ATOM 1853 O ASP 1 122 9.737 1.395 2.070 1.00 0.00 O ATOM 1854 CB ASP 1 122 12.014 3.153 2.853 1.00 0.00 C ATOM 1855 CG ASP 1 122 12.813 4.436 2.735 1.00 0.00 C ATOM 1856 OD1 ASP 1 122 12.286 5.412 2.163 1.00 0.00 O ATOM 1857 OD2 ASP 1 122 13.965 4.462 3.216 1.00 0.00 O ATOM 0 H ASP 1 122 11.141 4.097 4.931 1.00 0.00 H new ATOM 0 HA ASP 1 122 10.205 4.053 2.259 1.00 0.00 H new ATOM 0 HB2 ASP 1 122 12.403 2.561 3.681 1.00 0.00 H new ATOM 0 HB3 ASP 1 122 12.148 2.561 1.948 1.00 0.00 H new ATOM 1862 N ASN 1 123 9.136 1.766 4.184 1.00 0.00 N ATOM 1863 CA ASN 1 123 8.376 0.545 4.284 1.00 0.00 C ATOM 1864 C ASN 1 123 7.205 0.573 3.316 1.00 0.00 C ATOM 1865 O ASN 1 123 7.084 -0.256 2.428 1.00 0.00 O ATOM 1866 CB ASN 1 123 7.871 0.390 5.729 1.00 0.00 C ATOM 1867 CG ASN 1 123 6.708 -0.540 5.780 1.00 0.00 C ATOM 1868 OD1 ASN 1 123 6.677 -1.446 4.823 1.00 0.00 O flip ATOM 1869 ND2 ASN 1 123 5.856 -0.448 6.661 1.00 0.00 N flip ATOM 0 H ASN 1 123 9.153 2.326 5.036 1.00 0.00 H new ATOM 0 HA ASN 1 123 9.010 -0.303 4.026 1.00 0.00 H new ATOM 0 HB2 ASN 1 123 8.674 0.012 6.362 1.00 0.00 H new ATOM 0 HB3 ASN 1 123 7.583 1.363 6.126 1.00 0.00 H new ATOM 0 HD21 ASN 1 123 5.937 0.276 7.375 1.00 0.00 H new ATOM 0 HD22 ASN 1 123 5.068 -1.096 6.678 1.00 0.00 H new ATOM 1876 N LEU 1 124 6.375 1.539 3.465 1.00 0.00 N ATOM 1877 CA LEU 1 124 5.246 1.685 2.571 1.00 0.00 C ATOM 1878 C LEU 1 124 5.742 1.952 1.173 1.00 0.00 C ATOM 1879 O LEU 1 124 5.428 1.239 0.223 1.00 0.00 O ATOM 1880 CB LEU 1 124 4.332 2.814 3.013 1.00 0.00 C ATOM 1881 CG LEU 1 124 4.445 3.194 4.474 1.00 0.00 C ATOM 1882 CD1 LEU 1 124 4.218 1.971 5.363 1.00 0.00 C ATOM 1883 CD2 LEU 1 124 5.805 3.820 4.734 1.00 0.00 C ATOM 0 H LEU 1 124 6.441 2.250 4.193 1.00 0.00 H new ATOM 0 HA LEU 1 124 4.673 0.758 2.592 1.00 0.00 H new ATOM 0 HB2 LEU 1 124 4.547 3.694 2.407 1.00 0.00 H new ATOM 0 HB3 LEU 1 124 3.301 2.528 2.806 1.00 0.00 H new ATOM 0 HG LEU 1 124 3.675 3.926 4.718 1.00 0.00 H new ATOM 0 HD11 LEU 1 124 4.303 2.262 6.410 1.00 0.00 H new ATOM 0 HD12 LEU 1 124 3.223 1.566 5.178 1.00 0.00 H new ATOM 0 HD13 LEU 1 124 4.966 1.212 5.135 1.00 0.00 H new ATOM 0 HD21 LEU 1 124 5.885 4.093 5.786 1.00 0.00 H new ATOM 0 HD22 LEU 1 124 6.589 3.105 4.484 1.00 0.00 H new ATOM 0 HD23 LEU 1 124 5.919 4.712 4.118 1.00 0.00 H new ATOM 1895 N LEU 1 125 6.518 3.007 1.071 1.00 0.00 N ATOM 1896 CA LEU 1 125 7.076 3.418 -0.188 1.00 0.00 C ATOM 1897 C LEU 1 125 7.951 2.352 -0.817 1.00 0.00 C ATOM 1898 O LEU 1 125 7.887 2.121 -2.020 1.00 0.00 O ATOM 1899 CB LEU 1 125 7.917 4.661 0.019 1.00 0.00 C ATOM 1900 CG LEU 1 125 7.144 5.926 0.364 1.00 0.00 C ATOM 1901 CD1 LEU 1 125 6.755 5.878 1.827 1.00 0.00 C ATOM 1902 CD2 LEU 1 125 7.977 7.164 0.062 1.00 0.00 C ATOM 0 H LEU 1 125 6.777 3.600 1.859 1.00 0.00 H new ATOM 0 HA LEU 1 125 6.239 3.608 -0.860 1.00 0.00 H new ATOM 0 HB2 LEU 1 125 8.633 4.465 0.817 1.00 0.00 H new ATOM 0 HB3 LEU 1 125 8.493 4.844 -0.888 1.00 0.00 H new ATOM 0 HG LEU 1 125 6.243 5.982 -0.247 1.00 0.00 H new ATOM 0 HD11 LEU 1 125 6.200 6.780 2.086 1.00 0.00 H new ATOM 0 HD12 LEU 1 125 6.131 5.003 2.009 1.00 0.00 H new ATOM 0 HD13 LEU 1 125 7.654 5.816 2.441 1.00 0.00 H new ATOM 0 HD21 LEU 1 125 7.406 8.057 0.316 1.00 0.00 H new ATOM 0 HD22 LEU 1 125 8.893 7.139 0.652 1.00 0.00 H new ATOM 0 HD23 LEU 1 125 8.229 7.183 -0.998 1.00 0.00 H new ATOM 1914 N TYR 1 126 8.810 1.745 -0.009 1.00 0.00 N ATOM 1915 CA TYR 1 126 9.745 0.757 -0.523 1.00 0.00 C ATOM 1916 C TYR 1 126 9.461 -0.633 0.008 1.00 0.00 C ATOM 1917 O TYR 1 126 9.734 -1.628 -0.662 1.00 0.00 O ATOM 1918 CB TYR 1 126 11.165 1.168 -0.145 1.00 0.00 C ATOM 1919 CG TYR 1 126 11.956 1.779 -1.273 1.00 0.00 C ATOM 1920 CD1 TYR 1 126 11.600 3.014 -1.794 1.00 0.00 C ATOM 1921 CD2 TYR 1 126 13.061 1.132 -1.810 1.00 0.00 C ATOM 1922 CE1 TYR 1 126 12.323 3.591 -2.820 1.00 0.00 C ATOM 1923 CE2 TYR 1 126 13.791 1.700 -2.837 1.00 0.00 C ATOM 1924 CZ TYR 1 126 13.418 2.930 -3.339 1.00 0.00 C ATOM 1925 OH TYR 1 126 14.142 3.505 -4.359 1.00 0.00 O ATOM 0 H TYR 1 126 8.878 1.918 0.994 1.00 0.00 H new ATOM 0 HA TYR 1 126 9.631 0.721 -1.606 1.00 0.00 H new ATOM 0 HB2 TYR 1 126 11.117 1.882 0.678 1.00 0.00 H new ATOM 0 HB3 TYR 1 126 11.698 0.292 0.224 1.00 0.00 H new ATOM 0 HD1 TYR 1 126 10.743 3.533 -1.391 1.00 0.00 H new ATOM 0 HD2 TYR 1 126 13.355 0.169 -1.419 1.00 0.00 H new ATOM 0 HE1 TYR 1 126 12.033 4.554 -3.214 1.00 0.00 H new ATOM 0 HE2 TYR 1 126 14.648 1.184 -3.244 1.00 0.00 H new ATOM 0 HH TYR 1 126 14.881 2.912 -4.610 1.00 0.00 H new ATOM 1935 N GLY 1 127 8.947 -0.708 1.222 1.00 0.00 N ATOM 1936 CA GLY 1 127 8.690 -2.014 1.804 1.00 0.00 C ATOM 1937 C GLY 1 127 9.788 -2.415 2.752 1.00 0.00 C ATOM 1938 O GLY 1 127 10.043 -3.599 2.966 1.00 0.00 O ATOM 0 H GLY 1 127 8.706 0.091 1.809 1.00 0.00 H new ATOM 0 HA2 GLY 1 127 7.737 -1.998 2.333 1.00 0.00 H new ATOM 0 HA3 GLY 1 127 8.601 -2.757 1.011 1.00 0.00 H new ATOM 1942 N LYS 1 128 10.444 -1.411 3.315 1.00 0.00 N ATOM 1943 CA LYS 1 128 11.518 -1.628 4.242 1.00 0.00 C ATOM 1944 C LYS 1 128 10.981 -2.069 5.600 1.00 0.00 C ATOM 1945 O LYS 1 128 11.797 -2.236 6.530 1.00 0.00 O ATOM 1946 CB LYS 1 128 12.293 -0.336 4.400 1.00 0.00 C ATOM 1947 CG LYS 1 128 12.900 0.175 3.112 1.00 0.00 C ATOM 1948 CD LYS 1 128 14.098 1.070 3.396 1.00 0.00 C ATOM 1949 CE LYS 1 128 15.021 1.167 2.189 1.00 0.00 C ATOM 1950 NZ LYS 1 128 14.711 2.346 1.336 1.00 0.00 N ATOM 1951 OXT LYS 1 128 9.750 -2.240 5.721 1.00 0.00 O ATOM 0 H LYS 1 128 10.239 -0.428 3.135 1.00 0.00 H new ATOM 0 HA LYS 1 128 12.166 -2.415 3.858 1.00 0.00 H new ATOM 0 HB2 LYS 1 128 11.629 0.427 4.805 1.00 0.00 H new ATOM 0 HB3 LYS 1 128 13.088 -0.487 5.130 1.00 0.00 H new ATOM 0 HG2 LYS 1 128 13.208 -0.666 2.491 1.00 0.00 H new ATOM 0 HG3 LYS 1 128 12.151 0.731 2.547 1.00 0.00 H new ATOM 0 HD2 LYS 1 128 13.752 2.066 3.672 1.00 0.00 H new ATOM 0 HD3 LYS 1 128 14.652 0.678 4.249 1.00 0.00 H new ATOM 0 HE2 LYS 1 128 16.055 1.229 2.529 1.00 0.00 H new ATOM 0 HE3 LYS 1 128 14.935 0.258 1.594 1.00 0.00 H new ATOM 0 HZ1 LYS 1 128 15.471 2.479 0.638 1.00 0.00 H new ATOM 0 HZ2 LYS 1 128 13.810 2.189 0.841 1.00 0.00 H new ATOM 0 HZ3 LYS 1 128 14.636 3.195 1.932 1.00 0.00 H new TER 1965 LYS 1 128